20
E =    85.000000000000
C       -1.9541400000     0.5621900000     0.2544700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2594600000     1.1842600000    -0.5072900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5800500000     0.3575100000     1.5328700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2627900000    -0.0900300000    -0.0401600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8345600000     0.5543100000    -0.7008300000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0604400000    -1.0274000000    -0.5576900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8148300000    -0.2982000000     0.8702200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.3139100000     0.9113600000     1.8090900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1224800000     1.4113900000     0.9893600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7225700000    -0.4658500000    -0.2100300000  0.00    0.0000000    0.0000000    0.0000000
C        1.8700600000     0.5335300000    -1.0861600000  0.00    0.0000000    0.0000000    0.0000000
H        1.1805100000     0.6424300000    -1.9121100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6368800000    -0.5840400000     0.8956900000  0.00    0.0000000    0.0000000    0.0000000
N        3.3503800000    -0.7036400000     1.7859300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9133700000     1.5039500000    -0.9850600000  0.00    0.0000000    0.0000000    0.0000000
N        3.7457200000     2.2914500000    -0.9169900000  0.00    0.0000000    0.0000000    0.0000000
C        0.6437000000    -1.4980000000    -0.2964600000  0.00    0.0000000    0.0000000    0.0000000
H        1.0853900000    -2.4906800000    -0.3864800000  0.00    0.0000000    0.0000000    0.0000000
H        0.0479700000    -1.4872200000     0.6175800000  0.00    0.0000000    0.0000000    0.0000000
H        0.0061000000    -1.3073300000    -1.1559500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    84.000000000000
C       -1.9536400000     0.5610600000     0.2522400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2585600000     1.1829500000    -0.5094200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5802100000     0.3570000000     1.5308300000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2630000000    -0.0892900000    -0.0434400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8553700000     0.5828100000    -0.6596700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0640400000    -0.9976700000    -0.6144900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7933300000    -0.3466800000     0.8687700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.3153800000     0.9133900000     1.8078000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1231300000     1.4112800000     0.9869600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7231400000    -0.4661700000    -0.2065400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8698300000     0.5286200000    -1.0877000000  0.00    0.0000000    0.0000000    0.0000000
H        1.1810000000     0.6319200000    -1.9148700000  0.00    0.0000000    0.0000000    0.0000000
C        2.6363900000    -0.5769800000     0.9006700000  0.00    0.0000000    0.0000000    0.0000000
N        3.3491300000    -0.6904700000     1.7921800000  0.00    0.0000000    0.0000000    0.0000000
C        2.9112700000     1.5012100000    -0.9908100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7421100000     2.2903700000    -0.9265400000  0.00    0.0000000    0.0000000    0.0000000
C        0.6460300000    -1.5002400000    -0.2884900000  0.00    0.0000000    0.0000000    0.0000000
H        1.0893500000    -2.4923900000    -0.3745000000  0.00    0.0000000    0.0000000    0.0000000
H        0.0504600000    -1.4865700000     0.6254700000  0.00    0.0000000    0.0000000    0.0000000
H        0.0079500000    -1.3141900000    -1.1484500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    83.000000000000
C       -1.9540900000     0.5597300000     0.2535000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2621700000     1.1755200000    -0.5159600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5762200000     0.3675200000     1.5326600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2632900000    -0.0956600000    -0.0316100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8484700000     0.5566400000    -0.6738400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0631400000    -1.0230900000    -0.5689700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8011100000    -0.3213600000     0.8838000000  0.00    0.0000000    0.0000000    0.0000000
O       -0.3107600000     0.9270800000     1.8002300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1216800000     1.4176900000     0.9743300000  0.00    0.0000000    0.0000000    0.0000000
C        1.7233800000    -0.4641900000    -0.2083600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8655500000     0.5225800000    -1.0994500000  0.00    0.0000000    0.0000000    0.0000000
H        1.1746400000     0.6160600000    -1.9262400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6394300000    -0.5620800000     0.8980000000  0.00    0.0000000    0.0000000    0.0000000
N        3.3544700000    -0.6652500000     1.7891100000  0.00    0.0000000    0.0000000    0.0000000
C        2.9046500000     1.4990300000    -1.0140400000  0.00    0.0000000    0.0000000    0.0000000
N        3.7335200000     2.2912000000    -0.9591700000  0.00    0.0000000    0.0000000    0.0000000
C        0.6484600000    -1.5017100000    -0.2778800000  0.00    0.0000000    0.0000000    0.0000000
H        1.0938800000    -2.4935200000    -0.3568500000  0.00    0.0000000    0.0000000    0.0000000
H        0.0559300000    -1.4816500000     0.6380400000  0.00    0.0000000    0.0000000    0.0000000
H        0.0070200000    -1.3245400000    -1.1372900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    82.000000000000
C       -1.9527400000     0.5614200000     0.2537000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2591000000     1.1717900000    -0.5184300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5761100000     0.3753900000     1.5341800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2630500000    -0.0928000000    -0.0288400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8438300000     0.5542700000    -0.6800900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0642700000    -1.0268300000    -0.5549100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8045700000    -0.3066700000     0.8871200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.3097600000     0.9340800000     1.7997900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1190600000     1.4194600000     0.9710600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7245400000    -0.4656200000    -0.2075700000  0.00    0.0000000    0.0000000    0.0000000
C        1.8548100000     0.5123300000    -1.1100100000  0.00    0.0000000    0.0000000    0.0000000
H        1.1553800000     0.5952500000    -1.9306400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6518300000    -0.5495800000     0.8904200000  0.00    0.0000000    0.0000000    0.0000000
N        3.3761300000    -0.6414900000     1.7751700000  0.00    0.0000000    0.0000000    0.0000000
C        2.8914000000     1.4929200000    -1.0451100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7179300000     2.2884100000    -1.0071300000  0.00    0.0000000    0.0000000    0.0000000
C        0.6518100000    -1.5065100000    -0.2555700000  0.00    0.0000000    0.0000000    0.0000000
H        1.0989100000    -2.4982400000    -0.3261800000  0.00    0.0000000    0.0000000    0.0000000
H        0.0667800000    -1.4763300000     0.6648300000  0.00    0.0000000    0.0000000    0.0000000
H        0.0029800000    -1.3412600000    -1.1117700000  0.00    0.0000000    0.0000000    0.0000000
20
E =    81.000000000000
C       -1.9474200000     0.5611500000     0.2540200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2462500000     1.1742100000    -0.5130600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5821100000     0.3794600000     1.5399400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2559100000    -0.0905900000    -0.0370000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8310300000     0.5598800000    -0.6905200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0587200000    -1.0227200000    -0.5611700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8007100000    -0.3030600000     0.8758700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.3199600000     0.9453700000     1.8153800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1194300000     1.4221400000     0.9842300000  0.00    0.0000000    0.0000000    0.0000000
C        1.7244600000    -0.4688300000    -0.2070600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8402100000     0.5057200000    -1.1152900000  0.00    0.0000000    0.0000000    0.0000000
H        1.1299200000     0.5827300000    -1.9273700000  0.00    0.0000000    0.0000000    0.0000000
C        2.6657000000    -0.5458500000     0.8796500000  0.00    0.0000000    0.0000000    0.0000000
N        3.4006000000    -0.6324200000     1.7561600000  0.00    0.0000000    0.0000000    0.0000000
C        2.8743800000     1.4901400000    -1.0679500000  0.00    0.0000000    0.0000000    0.0000000
N        3.6987300000     2.2887400000    -1.0444700000  0.00    0.0000000    0.0000000    0.0000000
C        0.6533600000    -1.5122200000    -0.2371700000  0.00    0.0000000    0.0000000    0.0000000
H        1.1019700000    -2.5039900000    -0.2967700000  0.00    0.0000000    0.0000000    0.0000000
H        0.0717900000    -1.4710900000     0.6856000000  0.00    0.0000000    0.0000000    0.0000000
H        0.0004300000    -1.3587700000    -1.0930200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    80.000000000000
C       -1.9464800000     0.5712700000     0.2571900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2579500000     1.1739000000    -0.5216500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5713400000     0.4065200000     1.5404100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2468900000    -0.1038900000    -0.0261700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8407900000     0.5340000000    -0.6758800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0295000000    -1.0304200000    -0.5596700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7848900000    -0.3337800000     0.8894400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.3084900000     0.9746100000     1.8025700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1206400000     1.4502000000     0.9679800000  0.00    0.0000000    0.0000000    0.0000000
C        1.7184700000    -0.4702100000    -0.2080700000  0.00    0.0000000    0.0000000    0.0000000
C        1.8427500000     0.5036600000    -1.1159000000  0.00    0.0000000    0.0000000    0.0000000
H        1.1364100000     0.5843900000    -1.9308200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6550100000    -0.5526000000     0.8821700000  0.00    0.0000000    0.0000000    0.0000000
N        3.3868000000    -0.6446100000     1.7609900000  0.00    0.0000000    0.0000000    0.0000000
C        2.8805900000     1.4834900000    -1.0636400000  0.00    0.0000000    0.0000000    0.0000000
N        3.7075000000     2.2789600000    -1.0358100000  0.00    0.0000000    0.0000000    0.0000000
C        0.6424800000    -1.5081100000    -0.2419100000  0.00    0.0000000    0.0000000    0.0000000
H        1.0849000000    -2.5024900000    -0.2976400000  0.00    0.0000000    0.0000000    0.0000000
H        0.0567300000    -1.4623800000     0.6773300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.0046600000    -1.3525000000    -1.1009100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    79.000000000000
C       -1.9465500000     0.5652400000     0.2467400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2673900000     1.1764500000    -0.5427700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5586400000     0.4066800000     1.5295200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2485300000    -0.1152800000    -0.0118600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8569300000     0.5232200000    -0.6464600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0425500000    -1.0412700000    -0.5480200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7649900000    -0.3446200000     0.9141500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2994900000     0.9912900000     1.7757700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1174400000     1.4632500000     0.9350400000  0.00    0.0000000    0.0000000    0.0000000
C        1.7160100000    -0.4676100000    -0.2063700000  0.00    0.0000000    0.0000000    0.0000000
C        1.8506500000     0.5044300000    -1.1145600000  0.00    0.0000000    0.0000000    0.0000000
H        1.1499200000     0.5877800000    -1.9340400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6445000000    -0.5519900000     0.8905500000  0.00    0.0000000    0.0000000    0.0000000
N        3.3683200000    -0.6452300000     1.7754900000  0.00    0.0000000    0.0000000    0.0000000
C        2.8934600000     1.4787200000    -1.0562500000  0.00    0.0000000    0.0000000    0.0000000
N        3.7248900000     2.2691500000    -1.0226500000  0.00    0.0000000    0.0000000    0.0000000
C        0.6365600000    -1.5019400000    -0.2460500000  0.00    0.0000000    0.0000000    0.0000000
H        1.0768000000    -2.4970200000    -0.3077500000  0.00    0.0000000    0.0000000    0.0000000
H        0.0513100000    -1.4607400000     0.6737400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.0099200000    -1.3405200000    -1.1042100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    78.000000000000
C       -1.9509600000     0.5566800000     0.2486100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2668500000     1.1295900000    -0.5564300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5629600000     0.4351000000     1.5315200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2593200000    -0.1162300000     0.0042500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8708700000     0.5262900000    -0.6235400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0615000000    -1.0410500000    -0.5383500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7691100000    -0.3453600000     0.9348200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2967200000     1.0094100000     1.7595800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1148500000     1.4485000000     0.9055900000  0.00    0.0000000    0.0000000    0.0000000
C        1.7187500000    -0.4653900000    -0.2078900000  0.00    0.0000000    0.0000000    0.0000000
C        1.8605000000     0.5071200000    -1.1145400000  0.00    0.0000000    0.0000000    0.0000000
H        1.1658300000     0.5911200000    -1.9394600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6396200000    -0.5500800000     0.8959100000  0.00    0.0000000    0.0000000    0.0000000
N        3.3581800000    -0.6429000000     1.7856500000  0.00    0.0000000    0.0000000    0.0000000
C        2.9044400000     1.4799400000    -1.0480600000  0.00    0.0000000    0.0000000    0.0000000
N        3.7375400000     2.2686400000    -1.0082000000  0.00    0.0000000    0.0000000    0.0000000
C        0.6399300000    -1.4999100000    -0.2561500000  0.00    0.0000000    0.0000000    0.0000000
H        1.0822100000    -2.4942200000    -0.3217700000  0.00    0.0000000    0.0000000    0.0000000
H        0.0523900000    -1.4636200000     0.6628200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.0062400000    -1.3336400000    -1.1143700000  0.00    0.0000000    0.0000000    0.0000000
20
E =    77.000000000000
C       -1.9646800000     0.5555600000     0.2454200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2882600000     1.1345800000    -0.5678800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5614500000     0.4247900000     1.5254200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2803500000    -0.1116100000     0.0201500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8972000000     0.5320800000    -0.6012700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.0960200000    -1.0406700000    -0.5202800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7786500000    -0.3328200000     0.9586300000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2932700000     1.0009600000     1.7410400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1209000000     1.4528300000     0.8885300000  0.00    0.0000000    0.0000000    0.0000000
C        1.7298400000    -0.4665200000    -0.2103900000  0.00    0.0000000    0.0000000    0.0000000
C        1.8791800000     0.5022200000    -1.1197800000  0.00    0.0000000    0.0000000    0.0000000
H        1.1930800000     0.5810700000    -1.9519200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6389700000    -0.5439200000     0.9029800000  0.00    0.0000000    0.0000000    0.0000000
N        3.3475500000    -0.6307700000     1.8006300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9190900000     1.4785900000    -1.0457200000  0.00    0.0000000    0.0000000    0.0000000
N        3.7483100000     2.2706100000    -0.9984100000  0.00    0.0000000    0.0000000    0.0000000
C        0.6535900000    -1.5033800000    -0.2645100000  0.00    0.0000000    0.0000000    0.0000000
H        1.0980300000    -2.4970800000    -0.3219800000  0.00    0.0000000    0.0000000    0.0000000
H        0.0576300000    -1.4645100000     0.6485100000  0.00    0.0000000    0.0000000    0.0000000
H        0.0154900000    -1.3420300000    -1.1291600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    76.000000000000
C       -1.9733600000     0.5457800000     0.2426700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2938800000     1.0944400000    -0.5862000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5656200000     0.4416800000     1.5223900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.2991300000    -0.1066800000     0.0376000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9162400000     0.5437600000    -0.5765500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.1339100000    -1.0380400000    -0.5044500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7874900000    -0.3197900000     0.9831500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2900100000     1.0073600000     1.7192400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1175900000     1.4344400000     0.8554000000  0.00    0.0000000    0.0000000    0.0000000
C        1.7379300000    -0.4655200000    -0.2110200000  0.00    0.0000000    0.0000000    0.0000000
C        1.8899300000     0.5050400000    -1.1181500000  0.00    0.0000000    0.0000000    0.0000000
H        1.2098600000     0.5823100000    -1.9556600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6408900000    -0.5419300000     0.9078600000  0.00    0.0000000    0.0000000    0.0000000
N        3.3448200000    -0.6285200000     1.8095100000  0.00    0.0000000    0.0000000    0.0000000
C        2.9270600000     1.4839700000    -1.0362300000  0.00    0.0000000    0.0000000    0.0000000
N        3.7543300000     2.2778700000    -0.9829400000  0.00    0.0000000    0.0000000    0.0000000
C        0.6650000000    -1.5053900000    -0.2731300000  0.00    0.0000000    0.0000000    0.0000000
H        1.1129500000    -2.4977000000    -0.3296100000  0.00    0.0000000    0.0000000    0.0000000
H        0.0637000000    -1.4693500000     0.6368400000  0.00    0.0000000    0.0000000    0.0000000
H        0.0307800000    -1.3437400000    -1.1407300000  0.00    0.0000000    0.0000000    0.0000000
20
E =    75.000000000000
C       -1.9853900000     0.5416400000     0.2431900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3085000000     1.0769200000    -0.5978700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5677600000     0.4479000000     1.5212600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.3192800000    -0.1006000000     0.0575100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9372800000     0.5516400000    -0.5539000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.1695200000    -1.0371000000    -0.4801800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7988700000    -0.3022900000     1.0101700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2876600000     1.0096400000     1.7010300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1221100000     1.4308600000     0.8321300000  0.00    0.0000000    0.0000000    0.0000000
C        1.7479000000    -0.4669000000    -0.2149300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9057200000     0.5029600000    -1.1218300000  0.00    0.0000000    0.0000000    0.0000000
H        1.2348700000     0.5760700000    -1.9669500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6397600000    -0.5384200000     0.9130000000  0.00    0.0000000    0.0000000    0.0000000
N        3.3350700000    -0.6215200000     1.8215100000  0.00    0.0000000    0.0000000    0.0000000
C        2.9377000000     1.4863800000    -1.0298400000  0.00    0.0000000    0.0000000    0.0000000
N        3.7606600000     2.2840400000    -0.9679400000  0.00    0.0000000    0.0000000    0.0000000
C        0.6797700000    -1.5109300000    -0.2864400000  0.00    0.0000000    0.0000000    0.0000000
H        1.1319600000    -2.5015700000    -0.3374200000  0.00    0.0000000    0.0000000    0.0000000
H        0.0695900000    -1.4762900000     0.6175400000  0.00    0.0000000    0.0000000    0.0000000
H        0.0533600000    -1.3524400000    -1.1600300000  0.00    0.0000000    0.0000000    0.0000000
20
E =    74.000000000000
C       -1.9951000000     0.5358900000     0.2418300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3181100000     1.0474400000    -0.6131600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5706700000     0.4634400000     1.5185400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.3370400000    -0.0952900000     0.0773200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9563700000     0.5577900000    -0.5319000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.2028900000    -1.0372700000    -0.4544700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8070400000    -0.2842700000     1.0373900000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2834900000     1.0135600000     1.6804200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1186700000     1.4179500000     0.8025600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7558200000    -0.4673500000    -0.2178200000  0.00    0.0000000    0.0000000    0.0000000
C        1.9180200000     0.5043000000    -1.1221500000  0.00    0.0000000    0.0000000    0.0000000
H        1.2547400000     0.5757400000    -1.9734100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6383900000    -0.5373200000     0.9176000000  0.00    0.0000000    0.0000000    0.0000000
N        3.3261900000    -0.6193400000     1.8319200000  0.00    0.0000000    0.0000000    0.0000000
C        2.9455900000     1.4914700000    -1.0196600000  0.00    0.0000000    0.0000000    0.0000000
N        3.7650500000     2.2920700000    -0.9492700000  0.00    0.0000000    0.0000000    0.0000000
C        0.6918700000    -1.5148500000    -0.2995700000  0.00    0.0000000    0.0000000    0.0000000
H        1.1478900000    -2.5038800000    -0.3473900000  0.00    0.0000000    0.0000000    0.0000000
H        0.0737900000    -1.4828600000     0.5991900000  0.00    0.0000000    0.0000000    0.0000000
H        0.0720200000    -1.3572100000    -1.1779600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    73.000000000000
C       -2.0058100000     0.5330400000     0.2390200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3351300000     1.0323800000    -0.6279500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5683500000     0.4695500000     1.5119600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.3534500000    -0.0913400000     0.0951700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9756900000     0.5610400000    -0.5119900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.2318200000    -1.0384700000    -0.4305400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8136400000    -0.2691300000     1.0620800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2821100000     1.0259000000     1.6579100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1133500000     1.3990600000     0.7734200000  0.00    0.0000000    0.0000000    0.0000000
C        1.7638200000    -0.4683200000    -0.2196400000  0.00    0.0000000    0.0000000    0.0000000
C        1.9309600000     0.5052700000    -1.1210600000  0.00    0.0000000    0.0000000    0.0000000
H        1.2760200000     0.5750000000    -1.9788400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6362300000    -0.5370200000     0.9236400000  0.00    0.0000000    0.0000000    0.0000000
N        3.3159400000    -0.6180400000     1.8440300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9537000000     1.4961600000    -1.0072200000  0.00    0.0000000    0.0000000    0.0000000
N        3.7691700000     2.2998100000    -0.9271700000  0.00    0.0000000    0.0000000    0.0000000
C        0.7034000000    -1.5184700000    -0.3120100000  0.00    0.0000000    0.0000000    0.0000000
H        1.1622000000    -2.5063900000    -0.3560000000  0.00    0.0000000    0.0000000    0.0000000
H        0.0768400000    -1.4882500000     0.5809400000  0.00    0.0000000    0.0000000    0.0000000
H        0.0910500000    -1.3617900000    -1.1957700000  0.00    0.0000000    0.0000000    0.0000000
20
E =    72.000000000000
C       -2.0114500000     0.5238100000     0.2337000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3457500000     1.0116400000    -0.6432500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5628600000     0.4677700000     1.5032200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.3668300000    -0.0872800000     0.1094300000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9888000000     0.5668100000    -0.4960900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.2614200000    -1.0399100000    -0.4091800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8178300000    -0.2520400000     1.0827300000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2651600000     1.0016900000     1.6304300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1302700000     1.4282900000     0.7542900000  0.00    0.0000000    0.0000000    0.0000000
C        1.7696700000    -0.4683300000    -0.2199300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9414800000     0.5061400000    -1.1193800000  0.00    0.0000000    0.0000000    0.0000000
H        1.2921000000     0.5756900000    -1.9813100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6334200000    -0.5361000000     0.9299100000  0.00    0.0000000    0.0000000    0.0000000
N        3.3063100000    -0.6171900000     1.8552300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9609800000     1.4992600000    -0.9970000000  0.00    0.0000000    0.0000000    0.0000000
N        3.7739700000     2.3046900000    -0.9099800000  0.00    0.0000000    0.0000000    0.0000000
C        0.7125900000    -1.5207700000    -0.3205600000  0.00    0.0000000    0.0000000    0.0000000
H        1.1739100000    -2.5076800000    -0.3599800000  0.00    0.0000000    0.0000000    0.0000000
H        0.0787300000    -1.4906400000     0.5670200000  0.00    0.0000000    0.0000000    0.0000000
H        0.1072200000    -1.3658300000    -1.2092900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    71.000000000000
C       -2.0145300000     0.5187200000     0.2343500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3431300000     0.9905900000    -0.6514100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5669200000     0.4813800000     1.5060000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.3742100000    -0.0869600000     0.1194400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9954700000     0.5705700000    -0.4835000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.2803900000    -1.0414900000    -0.3976500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8203300000    -0.2443100000     1.0964800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2759100000     1.0417900000     1.6228100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1182800000     1.3730900000     0.7235900000  0.00    0.0000000    0.0000000    0.0000000
C        1.7732100000    -0.4669600000    -0.2209800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9464400000     0.5108500000    -1.1167000000  0.00    0.0000000    0.0000000    0.0000000
H        1.3000600000     0.5820100000    -1.9808600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6321700000    -0.5370600000     0.9323000000  0.00    0.0000000    0.0000000    0.0000000
N        3.2999600000    -0.6201200000     1.8612000000  0.00    0.0000000    0.0000000    0.0000000
C        2.9648600000     1.5044900000    -0.9881000000  0.00    0.0000000    0.0000000    0.0000000
N        3.7775300000     2.3096200000    -0.8958200000  0.00    0.0000000    0.0000000    0.0000000
C        0.7179400000    -1.5206900000    -0.3289800000  0.00    0.0000000    0.0000000    0.0000000
H        1.1810300000    -2.5068200000    -0.3666300000  0.00    0.0000000    0.0000000    0.0000000
H        0.0788000000    -1.4933200000     0.5551600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1171800000    -1.3653800000    -1.2207200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    70.000000000000
C       -2.0264600000     0.5113100000     0.2299400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3583800000     0.9588200000    -0.6662100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5713900000     0.4925700000     1.4978900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.3909900000    -0.0829200000     0.1343200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0147500000     0.5734000000    -0.4671600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.3069100000    -1.0409300000    -0.3757000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8270800000    -0.2309600000     1.1160700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2670200000     1.0132900000     1.6037400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1165300000     1.3939500000     0.7067800000  0.00    0.0000000    0.0000000    0.0000000
C        1.7803100000    -0.4657200000    -0.2219100000  0.00    0.0000000    0.0000000    0.0000000
C        1.9601200000     0.5122400000    -1.1163500000  0.00    0.0000000    0.0000000    0.0000000
H        1.3213100000     0.5820800000    -1.9865200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6300500000    -0.5347800000     0.9386300000  0.00    0.0000000    0.0000000    0.0000000
N        3.2899600000    -0.6167200000     1.8731600000  0.00    0.0000000    0.0000000    0.0000000
C        2.9765300000     1.5068400000    -0.9793100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7876300000     2.3128800000    -0.8803000000  0.00    0.0000000    0.0000000    0.0000000
C        0.7273100000    -1.5206100000    -0.3387300000  0.00    0.0000000    0.0000000    0.0000000
H        1.1919600000    -2.5060800000    -0.3739700000  0.00    0.0000000    0.0000000    0.0000000
H        0.0813600000    -1.4936000000     0.5403000000  0.00    0.0000000    0.0000000    0.0000000
H        0.1329700000    -1.3650300000    -1.2346600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    69.000000000000
C       -2.0387200000     0.5124000000     0.2337100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3776100000     0.9484600000    -0.6729600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5708400000     0.4993600000     1.4968800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4065300000    -0.0798400000     0.1510800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0317500000     0.5752400000    -0.4503400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.3277800000    -1.0415300000    -0.3580800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8393500000    -0.2228800000     1.1371800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2683700000     1.0297700000     1.5818800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1231900000     1.3563900000     0.6746200000  0.00    0.0000000    0.0000000    0.0000000
C        1.7885300000    -0.4644300000    -0.2231800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9764600000     0.5132300000    -1.1162300000  0.00    0.0000000    0.0000000    0.0000000
H        1.3472200000     0.5815500000    -1.9933000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6268300000    -0.5324900000     0.9455400000  0.00    0.0000000    0.0000000    0.0000000
N        3.2789800000    -0.6142900000     1.8857600000  0.00    0.0000000    0.0000000    0.0000000
C        2.9901200000     1.5091800000    -0.9694900000  0.00    0.0000000    0.0000000    0.0000000
N        3.7992100000     2.3160400000    -0.8622800000  0.00    0.0000000    0.0000000    0.0000000
C        0.7377400000    -1.5205100000    -0.3503300000  0.00    0.0000000    0.0000000    0.0000000
H        1.2042000000    -2.5052700000    -0.3830800000  0.00    0.0000000    0.0000000    0.0000000
H        0.0844400000    -1.4959200000     0.5235600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1504200000    -1.3644700000    -1.2509600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    68.000000000000
C       -2.0509500000     0.5018200000     0.2278900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3924400000     0.9319000000    -0.6870400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5750000000     0.4971900000     1.4899800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4245100000    -0.0779600000     0.1661900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0506400000     0.5774800000    -0.4339200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.3637900000    -1.0454100000    -0.3297600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8446800000    -0.2034700000     1.1585400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2681900000     1.0206800000     1.5634000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1284100000     1.3668900000     0.6547700000  0.00    0.0000000    0.0000000    0.0000000
C        1.7975500000    -0.4633200000    -0.2246700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9922700000     0.5152800000    -1.1152400000  0.00    0.0000000    0.0000000    0.0000000
H        1.3721700000     0.5823700000    -1.9985800000  0.00    0.0000000    0.0000000    0.0000000
C        2.6245600000    -0.5309500000     0.9519500000  0.00    0.0000000    0.0000000    0.0000000
N        3.2664600000    -0.6127600000     1.8988400000  0.00    0.0000000    0.0000000    0.0000000
C        3.0039000000     1.5119300000    -0.9593500000  0.00    0.0000000    0.0000000    0.0000000
N        3.8116100000     2.3191400000    -0.8444800000  0.00    0.0000000    0.0000000    0.0000000
C        0.7504300000    -1.5214700000    -0.3627300000  0.00    0.0000000    0.0000000    0.0000000
H        1.2193900000    -2.5051100000    -0.3916300000  0.00    0.0000000    0.0000000    0.0000000
H        0.0886400000    -1.4985800000     0.5045300000  0.00    0.0000000    0.0000000    0.0000000
H        0.1716300000    -1.3656600000    -1.2686900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    67.000000000000
C       -2.0630500000     0.4993300000     0.2296200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4086500000     0.8997000000    -0.6960100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5777500000     0.5170200000     1.4848700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4400800000    -0.0741100000     0.1827900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0675500000     0.5796400000    -0.4178200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.3850200000    -1.0448000000    -0.3100800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8552600000    -0.1935300000     1.1789700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2663900000     1.0292500000     1.5391700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1304600000     1.3389000000     0.6225500000  0.00    0.0000000    0.0000000    0.0000000
C        1.8054100000    -0.4620800000    -0.2253400000  0.00    0.0000000    0.0000000    0.0000000
C        2.0066600000     0.5185400000    -1.1123900000  0.00    0.0000000    0.0000000    0.0000000
H        1.3938300000     0.5863900000    -2.0012300000  0.00    0.0000000    0.0000000    0.0000000
C        2.6224200000    -0.5309400000     0.9585900000  0.00    0.0000000    0.0000000    0.0000000
N        3.2567400000    -0.6135400000     1.9108700000  0.00    0.0000000    0.0000000    0.0000000
C        3.0158400000     1.5161400000    -0.9462000000  0.00    0.0000000    0.0000000    0.0000000
N        3.8214900000     2.3242900000    -0.8234900000  0.00    0.0000000    0.0000000    0.0000000
C        0.7605000000    -1.5209900000    -0.3746500000  0.00    0.0000000    0.0000000    0.0000000
H        1.2310200000    -2.5039400000    -0.4029500000  0.00    0.0000000    0.0000000    0.0000000
H        0.0918100000    -1.5015500000     0.4874400000  0.00    0.0000000    0.0000000    0.0000000
H        0.1885000000    -1.3637200000    -1.2847100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    66.000000000000
C       -2.0762900000     0.4959700000     0.2268000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4322200000     0.9057000000    -0.7078500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5751400000     0.5032700000     1.4792400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4565200000    -0.0705400000     0.1994000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0860500000     0.5810000000    -0.4013200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.4138800000    -1.0471600000    -0.2814100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8612300000    -0.1750600000     1.2009200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2636000000     1.0175700000     1.5169800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1399300000     1.3395100000     0.5982600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8141200000    -0.4616900000    -0.2270000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0241200000     0.5181100000    -1.1128600000  0.00    0.0000000    0.0000000    0.0000000
H        1.4219200000     0.5832100000    -2.0088800000  0.00    0.0000000    0.0000000    0.0000000
C        2.6174100000    -0.5276200000     0.9661800000  0.00    0.0000000    0.0000000    0.0000000
N        3.2408000000    -0.6079900000     1.9256100000  0.00    0.0000000    0.0000000    0.0000000
C        3.0295000000     1.5177200000    -0.9366700000  0.00    0.0000000    0.0000000    0.0000000
N        3.8324300000     2.3273300000    -0.8063000000  0.00    0.0000000    0.0000000    0.0000000
C        0.7730100000    -1.5228900000    -0.3868300000  0.00    0.0000000    0.0000000    0.0000000
H        1.2461400000    -2.5047700000    -0.4111500000  0.00    0.0000000    0.0000000    0.0000000
H        0.0962700000    -1.5052000000     0.4690200000  0.00    0.0000000    0.0000000    0.0000000
H        0.2091400000    -1.3664600000    -1.3021500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    65.000000000000
C       -2.0859900000     0.4894200000     0.2294100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4392300000     0.8616700000    -0.7149700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5836700000     0.5311600000     1.4783500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4709700000    -0.0659500000     0.2166100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1000500000     0.5866300000    -0.3836900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.4389200000    -1.0453900000    -0.2595700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8694500000    -0.1613200000     1.2217800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2664900000     1.0307700000     1.5016900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1408500000     1.3211500000     0.5756600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8207800000    -0.4612300000    -0.2304000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0374800000     0.5205700000    -1.1125900000  0.00    0.0000000    0.0000000    0.0000000
H        1.4437500000     0.5864000000    -2.0144700000  0.00    0.0000000    0.0000000    0.0000000
C        2.6130300000    -0.5280900000     0.9703300000  0.00    0.0000000    0.0000000    0.0000000
N        3.2277100000    -0.6094800000     1.9354000000  0.00    0.0000000    0.0000000    0.0000000
C        3.0405100000     1.5206900000    -0.9253400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8420700000     2.3303200000    -0.7863800000  0.00    0.0000000    0.0000000    0.0000000
C        0.7837000000    -1.5244200000    -0.4022400000  0.00    0.0000000    0.0000000    0.0000000
H        1.2597900000    -2.5049000000    -0.4247900000  0.00    0.0000000    0.0000000    0.0000000
H        0.0991300000    -1.5107100000     0.4473100000  0.00    0.0000000    0.0000000    0.0000000
H        0.2276700000    -1.3672800000    -1.3220900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    64.000000000000
C       -2.1001100000     0.4873300000     0.2291100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4627200000     0.8563100000    -0.7251800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5834100000     0.5299200000     1.4734100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.4880400000    -0.0609700000     0.2355200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1194800000     0.5895700000    -0.3645100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.4668700000    -1.0452700000    -0.2310100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8766700000    -0.1438800000     1.2455700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2649300000     1.0272000000     1.4788800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1494700000     1.3162800000     0.5497200000  0.00    0.0000000    0.0000000    0.0000000
C        1.8297100000    -0.4616900000    -0.2328400000  0.00    0.0000000    0.0000000    0.0000000
C        2.0560600000     0.5192600000    -1.1135200000  0.00    0.0000000    0.0000000    0.0000000
H        1.4743300000     0.5826500000    -2.0232000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6076700000    -0.5264000000     0.9771800000  0.00    0.0000000    0.0000000    0.0000000
N        3.2115700000    -0.6064100000     1.9490500000  0.00    0.0000000    0.0000000    0.0000000
C        3.0551600000     1.5212000000    -0.9149900000  0.00    0.0000000    0.0000000    0.0000000
N        3.8534100000     2.3324200000    -0.7668200000  0.00    0.0000000    0.0000000    0.0000000
C        0.7964200000    -1.5266600000    -0.4162100000  0.00    0.0000000    0.0000000    0.0000000
H        1.2749300000    -2.5060600000    -0.4369100000  0.00    0.0000000    0.0000000    0.0000000
H        0.1043900000    -1.5163800000     0.4272200000  0.00    0.0000000    0.0000000    0.0000000
H        0.2480500000    -1.3684400000    -1.3404700000  0.00    0.0000000    0.0000000    0.0000000
20
E =    63.000000000000
C       -2.1117300000     0.4817900000     0.2288900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4757500000     0.8226800000    -0.7355300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5890000000     0.5491700000     1.4689000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5040200000    -0.0550300000     0.2535400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1364500000     0.5958800000    -0.3451700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.4953700000    -1.0428600000    -0.2057300000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8831900000    -0.1266700000     1.2680700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2661300000     1.0340200000     1.4578700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1530000000     1.3018400000     0.5226400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8377800000    -0.4621300000    -0.2352800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0711500000     0.5206100000    -1.1122100000  0.00    0.0000000    0.0000000    0.0000000
H        1.4993600000     0.5838400000    -2.0281900000  0.00    0.0000000    0.0000000    0.0000000
C        2.6040900000    -0.5275000000     0.9821500000  0.00    0.0000000    0.0000000    0.0000000
N        3.1990100000    -0.6084300000     1.9594300000  0.00    0.0000000    0.0000000    0.0000000
C        3.0664200000     1.5241000000    -0.9020400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8616900000     2.3365100000    -0.7446700000  0.00    0.0000000    0.0000000    0.0000000
C        0.8086200000    -1.5289400000    -0.4305900000  0.00    0.0000000    0.0000000    0.0000000
H        1.2897800000    -2.5070400000    -0.4507000000  0.00    0.0000000    0.0000000    0.0000000
H        0.1097100000    -1.5231000000     0.4071000000  0.00    0.0000000    0.0000000    0.0000000
H        0.2670300000    -1.3687400000    -1.3584600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    62.000000000000
C       -2.1244200000     0.4781100000     0.2265200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4972800000     0.8071700000    -0.7483700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5882000000     0.5559300000     1.4603900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5193600000    -0.0497000000     0.2724800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1545000000     0.6008400000    -0.3238200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.5235700000    -1.0412600000    -0.1781400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8864300000    -0.1095200000     1.2920100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2644800000     1.0376800000     1.4292500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1605800000     1.2936900000     0.4894100000  0.00    0.0000000    0.0000000    0.0000000
C        1.8463300000    -0.4635100000    -0.2363300000  0.00    0.0000000    0.0000000    0.0000000
C        2.0865700000     0.5207200000    -1.1097200000  0.00    0.0000000    0.0000000    0.0000000
H        1.5245800000     0.5834200000    -2.0317400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6006900000    -0.5289000000     0.9884400000  0.00    0.0000000    0.0000000    0.0000000
N        3.1864300000    -0.6100500000     1.9711500000  0.00    0.0000000    0.0000000    0.0000000
C        3.0771900000     1.5262900000    -0.8882200000  0.00    0.0000000    0.0000000    0.0000000
N        3.8687700000     2.3404600000    -0.7219600000  0.00    0.0000000    0.0000000    0.0000000
C        0.8212600000    -1.5320200000    -0.4431300000  0.00    0.0000000    0.0000000    0.0000000
H        1.3047800000    -2.5090000000    -0.4622900000  0.00    0.0000000    0.0000000    0.0000000
H        0.1155900000    -1.5302200000     0.3887600000  0.00    0.0000000    0.0000000    0.0000000
H        0.2866100000    -1.3701200000    -1.3747000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    61.000000000000
C       -2.1337700000     0.4756100000     0.2287500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5112800000     0.7668000000    -0.7564700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5903600000     0.5834800000     1.4548500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5317600000    -0.0428700000     0.2902100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1682100000     0.6065700000    -0.3062500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.5427200000    -1.0369000000    -0.1578900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8932700000    -0.0967200000     1.3132100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2616400000     1.0446300000     1.4053400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1622700000     1.2745400000     0.4599900000  0.00    0.0000000    0.0000000    0.0000000
C        1.8523100000    -0.4640400000    -0.2378400000  0.00    0.0000000    0.0000000    0.0000000
C        2.0981400000     0.5222800000    -1.1074100000  0.00    0.0000000    0.0000000    0.0000000
H        1.5436700000     0.5856400000    -2.0343300000  0.00    0.0000000    0.0000000    0.0000000
C        2.5975800000    -0.5309000000     0.9928600000  0.00    0.0000000    0.0000000    0.0000000
N        3.1777300000    -0.6133300000     1.9794300000  0.00    0.0000000    0.0000000    0.0000000
C        3.0852800000     1.5290800000    -0.8757400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8738000000     2.3443300000    -0.7009500000  0.00    0.0000000    0.0000000    0.0000000
C        0.8304500000    -1.5336200000    -0.4552500000  0.00    0.0000000    0.0000000    0.0000000
H        1.3162600000    -2.5096100000    -0.4756200000  0.00    0.0000000    0.0000000    0.0000000
H        0.1195400000    -1.5363000000     0.3723600000  0.00    0.0000000    0.0000000    0.0000000
H        0.3005100000    -1.3686400000    -1.3892500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    60.000000000000
C       -2.1474800000     0.4723500000     0.2241200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5310400000     0.7753000000    -0.7695900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5911100000     0.5713200000     1.4491600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5475300000    -0.0392600000     0.3064500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1875500000     0.6097000000    -0.2861400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.5726600000    -1.0377500000    -0.1280600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8940200000    -0.0779400000     1.3341900000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2634400000     1.0416400000     1.3838800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1715300000     1.2728800000     0.4348700000  0.00    0.0000000    0.0000000    0.0000000
C        1.8616600000    -0.4652300000    -0.2398800000  0.00    0.0000000    0.0000000    0.0000000
C        2.1140700000     0.5211400000    -1.1075500000  0.00    0.0000000    0.0000000    0.0000000
H        1.5694500000     0.5825600000    -2.0399700000  0.00    0.0000000    0.0000000    0.0000000
C        2.5945000000    -0.5298700000     0.9976800000  0.00    0.0000000    0.0000000    0.0000000
N        3.1627300000    -0.6107100000     1.9903300000  0.00    0.0000000    0.0000000    0.0000000
C        3.0968300000     1.5302300000    -0.8670700000  0.00    0.0000000    0.0000000    0.0000000
N        3.8825400000     2.3470700000    -0.6859200000  0.00    0.0000000    0.0000000    0.0000000
C        0.8441900000    -1.5370100000    -0.4659300000  0.00    0.0000000    0.0000000    0.0000000
H        1.3313300000    -2.5121100000    -0.4784200000  0.00    0.0000000    0.0000000    0.0000000
H        0.1245200000    -1.5394400000     0.3537000000  0.00    0.0000000    0.0000000    0.0000000
H        0.3245400000    -1.3748600000    -1.4058400000  0.00    0.0000000    0.0000000    0.0000000
20
E =    59.000000000000
C       -2.1558000000     0.4626600000     0.2249200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5440400000     0.7255100000    -0.7771200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5922000000     0.5960300000     1.4405600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5591900000    -0.0339100000     0.3241700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1981000000     0.6174500000    -0.2677100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.5973000000    -1.0338100000    -0.1056900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8974900000    -0.0638400000     1.3549700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2609000000     1.0482400000     1.3575300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1748100000     1.2553400000     0.4049500000  0.00    0.0000000    0.0000000    0.0000000
C        1.8682400000    -0.4649100000    -0.2414200000  0.00    0.0000000    0.0000000    0.0000000
C        2.1258800000     0.5238000000    -1.1047800000  0.00    0.0000000    0.0000000    0.0000000
H        1.5877600000     0.5870400000    -2.0413100000  0.00    0.0000000    0.0000000    0.0000000
C        2.5933400000    -0.5321100000     1.0011400000  0.00    0.0000000    0.0000000    0.0000000
N        3.1567100000    -0.6149400000     1.9969600000  0.00    0.0000000    0.0000000    0.0000000
C        3.1054500000     1.5335600000    -0.8542000000  0.00    0.0000000    0.0000000    0.0000000
N        3.8881300000     2.3513300000    -0.6648800000  0.00    0.0000000    0.0000000    0.0000000
C        0.8517800000    -1.5358900000    -0.4770500000  0.00    0.0000000    0.0000000    0.0000000
H        1.3382900000    -2.5116700000    -0.4857600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1244900000    -1.5365900000     0.3363000000  0.00    0.0000000    0.0000000    0.0000000
H        0.3397500000    -1.3733100000    -1.4215800000  0.00    0.0000000    0.0000000    0.0000000
20
E =    58.000000000000
C       -2.1719600000     0.4656900000     0.2252400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5712000000     0.7307700000    -0.7854700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5924600000     0.5925000000     1.4353800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5762500000    -0.0257200000     0.3431800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2191600000     0.6225300000    -0.2474200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.6222800000    -1.0297800000    -0.0766700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9037200000    -0.0450100000     1.3778300000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2605200000     1.0414400000     1.3349400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1847200000     1.2488300000     0.3804400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8782800000    -0.4672900000    -0.2445100000  0.00    0.0000000    0.0000000    0.0000000
C        2.1419400000     0.5216600000    -1.1058000000  0.00    0.0000000    0.0000000    0.0000000
H        1.6139900000     0.5826400000    -2.0480400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5905800000    -0.5314700000     1.0053300000  0.00    0.0000000    0.0000000    0.0000000
N        3.1438500000    -0.6121900000     2.0067600000  0.00    0.0000000    0.0000000    0.0000000
C        3.1158200000     1.5344800000    -0.8458400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8944300000     2.3544300000    -0.6493100000  0.00    0.0000000    0.0000000    0.0000000
C        0.8679200000    -1.5416900000    -0.4896900000  0.00    0.0000000    0.0000000    0.0000000
H        1.3568200000    -2.5161400000    -0.4897200000  0.00    0.0000000    0.0000000    0.0000000
H        0.1307300000    -1.5423900000     0.3142900000  0.00    0.0000000    0.0000000    0.0000000
H        0.3679000000    -1.3832900000    -1.4409400000  0.00    0.0000000    0.0000000    0.0000000
20
E =    57.000000000000
C       -2.1852300000     0.4615200000     0.2260400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5914200000     0.7050300000    -0.7933400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5947200000     0.6045100000     1.4286700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.5919500000    -0.0174400000     0.3630800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2357200000     0.6307500000    -0.2267800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.6503600000    -1.0246300000    -0.0474900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9089500000    -0.0247500000     1.4011100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2605300000     1.0415900000     1.3102700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.1918600000     1.2350200000     0.3526400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8874500000    -0.4685400000    -0.2476900000  0.00    0.0000000    0.0000000    0.0000000
C        2.1572900000     0.5218000000    -1.1054700000  0.00    0.0000000    0.0000000    0.0000000
H        1.6384200000     0.5826600000    -2.0528400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5881200000    -0.5325200000     1.0088200000  0.00    0.0000000    0.0000000    0.0000000
N        3.1323300000    -0.6132100000     2.0152700000  0.00    0.0000000    0.0000000    0.0000000
C        3.1265400000     1.5362600000    -0.8348800000  0.00    0.0000000    0.0000000    0.0000000
N        3.9016400000     2.3574300000    -0.6297700000  0.00    0.0000000    0.0000000    0.0000000
C        0.8812500000    -1.5444500000    -0.5031700000  0.00    0.0000000    0.0000000    0.0000000
H        1.3716000000    -2.5181500000    -0.4983500000  0.00    0.0000000    0.0000000    0.0000000
H        0.1359300000    -1.5457900000     0.2933800000  0.00    0.0000000    0.0000000    0.0000000
H        0.3901600000    -1.3870800000    -1.4594900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    56.000000000000
C       -2.2001600000     0.4602700000     0.2267400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6147000000     0.6907300000    -0.8007200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5971300000     0.6112800000     1.4223700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6084300000    -0.0087000000     0.3822500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2541400000     0.6378900000    -0.2072500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.6772500000    -1.0193600000    -0.0180000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9150400000    -0.0040900000     1.4234600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2615800000     1.0394500000     1.2865200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2012300000     1.2233200000     0.3263800000  0.00    0.0000000    0.0000000    0.0000000
C        1.8974200000    -0.4704300000    -0.2507200000  0.00    0.0000000    0.0000000    0.0000000
C        2.1739000000     0.5205100000    -1.1056900000  0.00    0.0000000    0.0000000    0.0000000
H        1.6652500000     0.5799500000    -2.0586500000  0.00    0.0000000    0.0000000    0.0000000
C        2.5851300000    -0.5328300000     1.0129800000  0.00    0.0000000    0.0000000    0.0000000
N        3.1192500000    -0.6124300000     2.0248700000  0.00    0.0000000    0.0000000    0.0000000
C        3.1376300000     1.5373300000    -0.8246000000  0.00    0.0000000    0.0000000    0.0000000
N        3.9084100000     2.3603500000    -0.6108200000  0.00    0.0000000    0.0000000    0.0000000
C        0.8963400000    -1.5485200000    -0.5165500000  0.00    0.0000000    0.0000000    0.0000000
H        1.3881100000    -2.5213900000    -0.5059600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1423400000    -1.5506900000     0.2714800000  0.00    0.0000000    0.0000000    0.0000000
H        0.4158900000    -1.3926400000    -1.4781200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    55.000000000000
C       -2.2157600000     0.4596400000     0.2262400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6394200000     0.6762100000    -0.8090800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6000700000     0.6200300000     1.4140600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6248400000    -0.0000600000     0.4003000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2730500000     0.6444700000    -0.1887500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7031200000    -1.0139100000     0.0102800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9208700000     0.0158800000     1.4444100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2635900000     1.0391000000     1.2604700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2120500000     1.2128400000     0.2979900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9079800000    -0.4729000000    -0.2524000000  0.00    0.0000000    0.0000000    0.0000000
C        2.1910600000     0.5185500000    -1.1045900000  0.00    0.0000000    0.0000000    0.0000000
H        1.6926200000     0.5763300000    -2.0630100000  0.00    0.0000000    0.0000000    0.0000000
C        2.5827800000    -0.5335000000     1.0183300000  0.00    0.0000000    0.0000000    0.0000000
N        3.1067800000    -0.6116500000     2.0356200000  0.00    0.0000000    0.0000000    0.0000000
C        3.1483100000     1.5385500000    -0.8130400000  0.00    0.0000000    0.0000000    0.0000000
N        3.9136400000     2.3644600000    -0.5908200000  0.00    0.0000000    0.0000000    0.0000000
C        0.9121800000    -1.5532900000    -0.5287200000  0.00    0.0000000    0.0000000    0.0000000
H        1.4071000000    -2.5246200000    -0.5187600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1530500000    -1.5609900000     0.2542800000  0.00    0.0000000    0.0000000    0.0000000
H        0.4372500000    -1.3951500000    -1.4928000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    54.000000000000
C       -2.2320500000     0.4617000000     0.2255000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6661100000     0.6693600000    -0.8173200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6030000000     0.6273100000     1.4055600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6408200000     0.0085100000     0.4173900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2925900000     0.6500900000    -0.1709100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7262400000    -1.0083900000     0.0370700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9264800000     0.0343900000     1.4641300000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2663800000     1.0389100000     1.2344400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2243200000     1.2041100000     0.2699600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9189800000    -0.4761300000    -0.2536700000  0.00    0.0000000    0.0000000    0.0000000
C        2.2074000000     0.5162400000    -1.1029700000  0.00    0.0000000    0.0000000    0.0000000
H        1.7190700000     0.5718500000    -2.0667300000  0.00    0.0000000    0.0000000    0.0000000
C        2.5805100000    -0.5339900000     1.0241600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0941600000    -0.6101000000     2.0468700000  0.00    0.0000000    0.0000000    0.0000000
C        3.1565200000     1.5407700000    -0.8009800000  0.00    0.0000000    0.0000000    0.0000000
N        3.9151300000     2.3705800000    -0.5704800000  0.00    0.0000000    0.0000000    0.0000000
C        0.9301200000    -1.5603000000    -0.5406300000  0.00    0.0000000    0.0000000    0.0000000
H        1.4291500000    -2.5295800000    -0.5288600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1643400000    -1.5732500000     0.2359200000  0.00    0.0000000    0.0000000    0.0000000
H        0.4626300000    -1.4020800000    -1.5084500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    53.000000000000
C       -2.2479000000     0.4635800000     0.2257000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6911800000     0.6610900000    -0.8240100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6070800000     0.6360100000     1.3983800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6563800000     0.0167900000     0.4341300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3113200000     0.6557400000    -0.1534700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7485000000    -1.0029200000     0.0627800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9325500000     0.0519800000     1.4831700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2703900000     1.0400300000     1.2110500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2366800000     1.1957500000     0.2446400000  0.00    0.0000000    0.0000000    0.0000000
C        1.9294100000    -0.4790700000    -0.2553100000  0.00    0.0000000    0.0000000    0.0000000
C        2.2223800000     0.5148000000    -1.1012700000  0.00    0.0000000    0.0000000    0.0000000
H        1.7444200000     0.5682200000    -2.0703200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5773000000    -0.5340700000     1.0296100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0805800000    -0.6080800000     2.0576000000  0.00    0.0000000    0.0000000    0.0000000
C        3.1627900000     1.5441300000    -0.7886500000  0.00    0.0000000    0.0000000    0.0000000
N        3.9145700000     2.3778100000    -0.5498900000  0.00    0.0000000    0.0000000    0.0000000
C        0.9495200000    -1.5682900000    -0.5538300000  0.00    0.0000000    0.0000000    0.0000000
H        1.4539100000    -2.5347500000    -0.5387400000  0.00    0.0000000    0.0000000    0.0000000
H        0.1758800000    -1.5874900000     0.2146800000  0.00    0.0000000    0.0000000    0.0000000
H        0.4912400000    -1.4112700000    -1.5262600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    52.000000000000
C       -2.2631900000     0.4624400000     0.2262800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7148900000     0.6480900000    -0.8300300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6112300000     0.6422900000     1.3915900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6718700000     0.0246600000     0.4510100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3285900000     0.6619100000    -0.1364500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7725300000    -0.9976700000     0.0894900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9386800000     0.0705200000     1.5019700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2746800000     1.0390800000     1.1883200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2491500000     1.1841000000     0.2201300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9396200000    -0.4806400000    -0.2573300000  0.00    0.0000000    0.0000000    0.0000000
C        2.2370200000     0.5152300000    -1.0993500000  0.00    0.0000000    0.0000000    0.0000000
H        1.7693900000     0.5671100000    -2.0734200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5739000000    -0.5337000000     1.0343200000  0.00    0.0000000    0.0000000    0.0000000
N        3.0667400000    -0.6063800000     2.0673700000  0.00    0.0000000    0.0000000    0.0000000
C        3.1690200000     1.5487400000    -0.7759600000  0.00    0.0000000    0.0000000    0.0000000
N        3.9143200000     2.3856600000    -0.5287000000  0.00    0.0000000    0.0000000    0.0000000
C        0.9688500000    -1.5746200000    -0.5677100000  0.00    0.0000000    0.0000000    0.0000000
H        1.4785100000    -2.5382500000    -0.5495400000  0.00    0.0000000    0.0000000    0.0000000
H        0.1874900000    -1.6002400000     0.1925800000  0.00    0.0000000    0.0000000    0.0000000
H        0.5199400000    -1.4183300000    -1.5445600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    51.000000000000
C       -2.2770700000     0.4580200000     0.2259500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7360200000     0.6219700000    -0.8363800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6159500000     0.6518200000     1.3840800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6867000000     0.0322100000     0.4665800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3453400000     0.6678400000    -0.1201100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7971400000    -0.9920900000     0.1165500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9428400000     0.0905700000     1.5182400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2774600000     1.0280700000     1.1677400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2565700000     1.1687500000     0.1972700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9484500000    -0.4797900000    -0.2590700000  0.00    0.0000000    0.0000000    0.0000000
C        2.2489700000     0.5190400000    -1.0961200000  0.00    0.0000000    0.0000000    0.0000000
H        1.7901100000     0.5708500000    -2.0745600000  0.00    0.0000000    0.0000000    0.0000000
C        2.5712600000    -0.5328000000     1.0383800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0549700000    -0.6055200000     2.0758900000  0.00    0.0000000    0.0000000    0.0000000
C        3.1747000000     1.5551300000    -0.7625100000  0.00    0.0000000    0.0000000    0.0000000
N        3.9164600000     2.3935800000    -0.5082500000  0.00    0.0000000    0.0000000    0.0000000
C        0.9860600000    -1.5777300000    -0.5814000000  0.00    0.0000000    0.0000000    0.0000000
H        1.5009400000    -2.5386600000    -0.5627600000  0.00    0.0000000    0.0000000    0.0000000
H        0.1984400000    -1.6108300000     0.1719900000  0.00    0.0000000    0.0000000    0.0000000
H        0.5447500000    -1.4204200000    -1.5615000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    50.000000000000
C       -2.2932500000     0.4588900000     0.2293200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7598600000     0.6274800000    -0.8389000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6188400000     0.6410700000     1.3815900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7042800000     0.0415100000     0.4822200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3608300000     0.6818600000    -0.1026700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8236200000    -0.9849200000     0.1313200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9556200000     0.1009500000     1.5385000000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2814800000     1.0233900000     1.1481100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2736600000     1.1461500000     0.1782500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9607600000    -0.4809900000    -0.2618800000  0.00    0.0000000    0.0000000    0.0000000
C        2.2654200000     0.5180300000    -1.0973800000  0.00    0.0000000    0.0000000    0.0000000
H        1.8158800000     0.5667800000    -2.0801400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5717200000    -0.5303700000     1.0411300000  0.00    0.0000000    0.0000000    0.0000000
N        3.0467400000    -0.6006000000     2.0826900000  0.00    0.0000000    0.0000000    0.0000000
C        3.1820900000     1.5591800000    -0.7559100000  0.00    0.0000000    0.0000000    0.0000000
N        3.9147800000     2.4026400000    -0.4943100000  0.00    0.0000000    0.0000000    0.0000000
C        1.0057100000    -1.5828900000    -0.5919700000  0.00    0.0000000    0.0000000    0.0000000
H        1.5245200000    -2.5414400000    -0.5695400000  0.00    0.0000000    0.0000000    0.0000000
H        0.2123600000    -1.6197100000     0.1551900000  0.00    0.0000000    0.0000000    0.0000000
H        0.5714500000    -1.4270200000    -1.5756200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    49.000000000000
C       -2.3081000000     0.4534200000     0.2287400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7835300000     0.6119500000    -0.8427300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6220500000     0.6354900000     1.3742000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7192600000     0.0516600000     0.4953900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3771300000     0.6844500000    -0.0948200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8486700000    -0.9765500000     0.1679400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9592700000     0.1328400000     1.5486800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2819200000     0.9946500000     1.1328700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2773700000     1.1377400000     0.1614200000  0.00    0.0000000    0.0000000    0.0000000
C        1.9703800000    -0.4806800000    -0.2645100000  0.00    0.0000000    0.0000000    0.0000000
C        2.2767800000     0.5215100000    -1.0956200000  0.00    0.0000000    0.0000000    0.0000000
H        1.8339300000     0.5698200000    -2.0814800000  0.00    0.0000000    0.0000000    0.0000000
C        2.5723300000    -0.5301900000     1.0427300000  0.00    0.0000000    0.0000000    0.0000000
N        3.0407900000    -0.6007300000     2.0872700000  0.00    0.0000000    0.0000000    0.0000000
C        3.1863000000     1.5664700000    -0.7457900000  0.00    0.0000000    0.0000000    0.0000000
N        3.9134200000     2.4131500000    -0.4779700000  0.00    0.0000000    0.0000000    0.0000000
C        1.0219300000    -1.5858800000    -0.6037700000  0.00    0.0000000    0.0000000    0.0000000
H        1.5435900000    -2.5429200000    -0.5765400000  0.00    0.0000000    0.0000000    0.0000000
H        0.2213800000    -1.6246400000     0.1356500000  0.00    0.0000000    0.0000000    0.0000000
H        0.5964500000    -1.4315700000    -1.5916500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    48.000000000000
C       -2.3229100000     0.4649000000     0.2324100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8093900000     0.6314500000    -0.8440900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6223200000     0.6266900000     1.3720000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7338800000     0.0640700000     0.5094700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3941200000     0.6986300000    -0.0769000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8641100000    -0.9671900000     0.1780200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9703200000     0.1420100000     1.5670700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2840200000     0.9844400000     1.1145400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2931400000     1.1047900000     0.1446700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9816400000    -0.4834900000    -0.2671800000  0.00    0.0000000    0.0000000    0.0000000
C        2.2866300000     0.5212400000    -1.0957500000  0.00    0.0000000    0.0000000    0.0000000
H        1.8502400000     0.5670900000    -2.0845500000  0.00    0.0000000    0.0000000    0.0000000
C        2.5748100000    -0.5296100000     1.0440400000  0.00    0.0000000    0.0000000    0.0000000
N        3.0368500000    -0.5976800000     2.0915200000  0.00    0.0000000    0.0000000    0.0000000
C        3.1859900000     1.5725900000    -0.7393400000  0.00    0.0000000    0.0000000    0.0000000
N        3.9049600000     2.4245000000    -0.4663600000  0.00    0.0000000    0.0000000    0.0000000
C        1.0427100000    -1.5946800000    -0.6132900000  0.00    0.0000000    0.0000000    0.0000000
H        1.5687800000    -2.5489500000    -0.5786600000  0.00    0.0000000    0.0000000    0.0000000
H        0.2349100000    -1.6359500000     0.1181800000  0.00    0.0000000    0.0000000    0.0000000
H        0.6267100000    -1.4448500000    -1.6057900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    47.000000000000
C       -2.3369700000     0.4587600000     0.2327800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8292600000     0.6230000000    -0.8478500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6268300000     0.6173700000     1.3674900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7488600000     0.0752500000     0.5231000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4061600000     0.7066200000    -0.0697500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8927100000    -0.9580300000     0.2131400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9755200000     0.1742100000     1.5794200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2863700000     0.9608500000     1.1008500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2989800000     1.1043100000     0.1292900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9916600000    -0.4853200000    -0.2706900000  0.00    0.0000000    0.0000000    0.0000000
C        2.2950600000     0.5239300000    -1.0945300000  0.00    0.0000000    0.0000000    0.0000000
H        1.8640700000     0.5696700000    -2.0856800000  0.00    0.0000000    0.0000000    0.0000000
C        2.5776500000    -0.5316600000     1.0437700000  0.00    0.0000000    0.0000000    0.0000000
N        3.0345600000    -0.6002400000     2.0934900000  0.00    0.0000000    0.0000000    0.0000000
C        3.1849700000     1.5804900000    -0.7297200000  0.00    0.0000000    0.0000000    0.0000000
N        3.8959500000     2.4368600000    -0.4498500000  0.00    0.0000000    0.0000000    0.0000000
C        1.0621400000    -1.6016900000    -0.6255200000  0.00    0.0000000    0.0000000    0.0000000
H        1.5934800000    -2.5529300000    -0.5879900000  0.00    0.0000000    0.0000000    0.0000000
H        0.2487600000    -1.6483400000     0.0993800000  0.00    0.0000000    0.0000000    0.0000000
H        0.6533700000    -1.4531200000    -1.6211500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    46.000000000000
C       -2.3496000000     0.4666000000     0.2359200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8511200000     0.6158700000    -0.8477700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6271800000     0.6255800000     1.3605400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7615100000     0.0898000000     0.5375200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4213900000     0.7139400000    -0.0598000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9051000000    -0.9482200000     0.2371900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9853000000     0.1984200000     1.5945500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2859300000     0.9533100000     1.0795500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3075800000     1.0666000000     0.1098800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0011800000    -0.4880800000    -0.2731700000  0.00    0.0000000    0.0000000    0.0000000
C        2.3012400000     0.5260900000    -1.0920900000  0.00    0.0000000    0.0000000    0.0000000
H        1.8752700000     0.5716200000    -2.0854200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5798700000    -0.5340400000     1.0444900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0310000000    -0.6023800000     2.0967000000  0.00    0.0000000    0.0000000    0.0000000
C        3.1809100000     1.5885100000    -0.7190500000  0.00    0.0000000    0.0000000    0.0000000
N        3.8840400000     2.4494300000    -0.4329400000  0.00    0.0000000    0.0000000    0.0000000
C        1.0812800000    -1.6098600000    -0.6366100000  0.00    0.0000000    0.0000000    0.0000000
H        1.6182800000    -2.5579400000    -0.5978200000  0.00    0.0000000    0.0000000    0.0000000
H        0.2635600000    -1.6633800000     0.0829700000  0.00    0.0000000    0.0000000    0.0000000
H        0.6780800000    -1.4618600000    -1.6346400000  0.00    0.0000000    0.0000000    0.0000000
20
E =    45.000000000000
C       -2.3614900000     0.4677200000     0.2329600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8726300000     0.6289000000    -0.8579700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6263800000     0.6042500000     1.3555000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7736400000     0.1039600000     0.5494000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4340300000     0.7246500000    -0.0505700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9275200000    -0.9365300000     0.2669100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9869000000     0.2292600000     1.6057900000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2848600000     0.9214200000     1.0630900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3151700000     1.0666300000     0.0926200000  0.00    0.0000000    0.0000000    0.0000000
C        2.0097300000    -0.4912600000    -0.2745000000  0.00    0.0000000    0.0000000    0.0000000
C        2.3062300000     0.5262800000    -1.0906300000  0.00    0.0000000    0.0000000    0.0000000
H        1.8852100000     0.5697100000    -2.0861200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5817600000    -0.5343400000     1.0461200000  0.00    0.0000000    0.0000000    0.0000000
N        3.0281000000    -0.6004700000     2.1005000000  0.00    0.0000000    0.0000000    0.0000000
C        3.1749000000     1.5953800000    -0.7115000000  0.00    0.0000000    0.0000000    0.0000000
N        3.8690300000     2.4617800000    -0.4204900000  0.00    0.0000000    0.0000000    0.0000000
C        1.1008700000    -1.6198000000    -0.6441600000  0.00    0.0000000    0.0000000    0.0000000
H        1.6447000000    -2.5637700000    -0.6025700000  0.00    0.0000000    0.0000000    0.0000000
H        0.2791500000    -1.6796000000     0.0702700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7029500000    -1.4741600000    -1.6446500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    44.000000000000
C       -2.3698800000     0.4628200000     0.2355100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8833700000     0.5856100000    -0.8585200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6304400000     0.6304000000     1.3486800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7837100000     0.1170600000     0.5638000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4403000000     0.7415700000    -0.0368400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9506800000    -0.9237000000     0.2872000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9901900000     0.2514400000     1.6212600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2875600000     0.9291500000     1.0435300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3200800000     1.0356400000     0.0711300000  0.00    0.0000000    0.0000000    0.0000000
C        2.0170800000    -0.4938300000    -0.2768200000  0.00    0.0000000    0.0000000    0.0000000
C        2.3099400000     0.5291600000    -1.0874000000  0.00    0.0000000    0.0000000    0.0000000
H        1.8929400000     0.5737100000    -2.0845400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5838100000    -0.5385600000     1.0460100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0259700000    -0.6061500000     2.1020500000  0.00    0.0000000    0.0000000    0.0000000
C        3.1698700000     1.6025400000    -0.7002400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8573200000     2.4722000000    -0.4029900000  0.00    0.0000000    0.0000000    0.0000000
C        1.1171900000    -1.6268200000    -0.6551600000  0.00    0.0000000    0.0000000    0.0000000
H        1.6665900000    -2.5676300000    -0.6139900000  0.00    0.0000000    0.0000000    0.0000000
H        0.2919700000    -1.6944500000     0.0545400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7235500000    -1.4801800000    -1.6572100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    43.000000000000
C       -2.3822100000     0.4642000000     0.2341000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9042800000     0.5795800000    -0.8660500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6311500000     0.6262100000     1.3414100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7965100000     0.1344300000     0.5774800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4530300000     0.7524300000    -0.0296400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9726600000    -0.9099500000     0.3217200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9945100000     0.2892400000     1.6334100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2877000000     0.9083200000     1.0229500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3275000000     1.0159800000     0.0497400000  0.00    0.0000000    0.0000000    0.0000000
C        2.0262700000    -0.4972600000    -0.2782300000  0.00    0.0000000    0.0000000    0.0000000
C        2.3144400000     0.5299700000    -1.0851000000  0.00    0.0000000    0.0000000    0.0000000
H        1.9019700000     0.5733300000    -2.0841400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5870300000    -0.5402000000     1.0471800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0247100000    -0.6064300000     2.1051600000  0.00    0.0000000    0.0000000    0.0000000
C        3.1635300000     1.6095300000    -0.6914800000  0.00    0.0000000    0.0000000    0.0000000
N        3.8424300000     2.4841000000    -0.3892300000  0.00    0.0000000    0.0000000    0.0000000
C        1.1375900000    -1.6367400000    -0.6632600000  0.00    0.0000000    0.0000000    0.0000000
H        1.6943200000    -2.5731300000    -0.6211800000  0.00    0.0000000    0.0000000    0.0000000
H        0.3094800000    -1.7122800000     0.0421500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7477800000    -1.4913200000    -1.6669900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    42.000000000000
C       -2.3921400000     0.4581700000     0.2329900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9188600000     0.5416500000    -0.8715100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6341300000     0.6403900000     1.3321600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8078800000     0.1510300000     0.5903300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4604800000     0.7712300000    -0.0190300000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9995600000    -0.8934900000     0.3465400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9967000000     0.3199500000     1.6458400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2899600000     0.9019000000     1.0007000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3340000000     0.9867300000     0.0257200000  0.00    0.0000000    0.0000000    0.0000000
C        2.0346600000    -0.4995000000    -0.2788900000  0.00    0.0000000    0.0000000    0.0000000
C        2.3185300000     0.5323400000    -1.0813400000  0.00    0.0000000    0.0000000    0.0000000
H        1.9098300000     0.5760100000    -2.0819100000  0.00    0.0000000    0.0000000    0.0000000
C        2.5906700000    -0.5426600000     1.0485000000  0.00    0.0000000    0.0000000    0.0000000
N        3.0247300000    -0.6092200000     2.1079400000  0.00    0.0000000    0.0000000    0.0000000
C        3.1583400000     1.6165200000    -0.6808600000  0.00    0.0000000    0.0000000    0.0000000
N        3.8299200000     2.4947400000    -0.3730700000  0.00    0.0000000    0.0000000    0.0000000
C        1.1553600000    -1.6439000000    -0.6707000000  0.00    0.0000000    0.0000000    0.0000000
H        1.7182000000    -2.5766000000    -0.6288100000  0.00    0.0000000    0.0000000    0.0000000
H        0.3248600000    -1.7268400000     0.0310300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7686200000    -1.4984400000    -1.6756200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    41.000000000000
C       -2.4007700000     0.4460100000     0.2313300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9289200000     0.5008200000    -0.8766600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6388900000     0.6518600000     1.3225700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8184200000     0.1640800000     0.5998800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4658500000     0.7815500000    -0.0160300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0290300000    -0.8788300000     0.3784700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9967300000     0.3573300000     1.6499800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2928800000     0.8987500000     0.9817800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3377400000     0.9617800000     0.0059700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0421800000    -0.5008400000    -0.2792100000  0.00    0.0000000    0.0000000    0.0000000
C        2.3228000000     0.5359400000    -1.0767900000  0.00    0.0000000    0.0000000    0.0000000
H        1.9166400000     0.5814900000    -2.0783000000  0.00    0.0000000    0.0000000    0.0000000
C        2.5951600000    -0.5463200000     1.0493900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0267400000    -0.6149100000     2.1097100000  0.00    0.0000000    0.0000000    0.0000000
C        3.1558500000     1.6232600000    -0.6694900000  0.00    0.0000000    0.0000000    0.0000000
N        3.8210800000     2.5042100000    -0.3556600000  0.00    0.0000000    0.0000000    0.0000000
C        1.1695600000    -1.6484200000    -0.6776400000  0.00    0.0000000    0.0000000    0.0000000
H        1.7374300000    -2.5784300000    -0.6387400000  0.00    0.0000000    0.0000000    0.0000000
H        0.3379500000    -1.7385900000     0.0220900000  0.00    0.0000000    0.0000000    0.0000000
H        0.7838200000    -1.5007200000    -1.6826600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    40.000000000000
C       -2.4099900000     0.4543800000     0.2267600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9481000000     0.4880700000    -0.8831100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6363400000     0.6569300000     1.3124200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8277000000     0.1834500000     0.6091000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4750200000     0.8085400000    -0.0020700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0445100000    -0.8625700000     0.3840800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9998400000     0.3732800000     1.6656900000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2917000000     0.8771900000     0.9598300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3468200000     0.9317500000    -0.0172200000  0.00    0.0000000    0.0000000    0.0000000
C        2.0500700000    -0.5040000000    -0.2778800000  0.00    0.0000000    0.0000000    0.0000000
C        2.3223300000     0.5372700000    -1.0720300000  0.00    0.0000000    0.0000000    0.0000000
H        1.9185100000     0.5815100000    -2.0745500000  0.00    0.0000000    0.0000000    0.0000000
C        2.5997100000    -0.5475000000     1.0521200000  0.00    0.0000000    0.0000000    0.0000000
N        3.0288400000    -0.6145700000     2.1135400000  0.00    0.0000000    0.0000000    0.0000000
C        3.1433900000     1.6310800000    -0.6596700000  0.00    0.0000000    0.0000000    0.0000000
N        3.8003700000     2.5170300000    -0.3421800000  0.00    0.0000000    0.0000000    0.0000000
C        1.1893200000    -1.6585400000    -0.6811900000  0.00    0.0000000    0.0000000    0.0000000
H        1.7664900000    -2.5828600000    -0.6468700000  0.00    0.0000000    0.0000000    0.0000000
H        0.3589500000    -1.7604800000     0.0185300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8020600000    -1.5099600000    -1.6852900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    39.000000000000
C       -2.4179800000     0.4445100000     0.2281000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9594700000     0.4730700000    -0.8886800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6388800000     0.6556000000     1.3071500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8359400000     0.1973800000     0.6182200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4767600000     0.8162100000    -0.0040000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0679600000    -0.8461500000     0.4172800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0001200000     0.4138200000     1.6679500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2930400000     0.8734100000     0.9405900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3481500000     0.9101900000    -0.0356700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0558200000    -0.5071000000    -0.2782600000  0.00    0.0000000    0.0000000    0.0000000
C        2.3225700000     0.5397900000    -1.0672000000  0.00    0.0000000    0.0000000    0.0000000
H        1.9215800000     0.5849500000    -2.0708600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6019800000    -0.5514200000     1.0531800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0285500000    -0.6191300000     2.1155900000  0.00    0.0000000    0.0000000    0.0000000
C        3.1337200000     1.6388000000    -0.6478100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7807800000     2.5296400000    -0.3243500000  0.00    0.0000000    0.0000000    0.0000000
C        1.2061900000    -1.6676600000    -0.6888500000  0.00    0.0000000    0.0000000    0.0000000
H        1.7931600000    -2.5860400000    -0.6608500000  0.00    0.0000000    0.0000000    0.0000000
H        0.3773700000    -1.7828600000     0.0103800000  0.00    0.0000000    0.0000000    0.0000000
H        0.8166000000    -1.5170200000    -1.6919100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    38.000000000000
C       -2.4242200000     0.4567500000     0.2260600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9691800000     0.4504400000    -0.8833000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6388800000     0.6747600000     1.2957200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8422600000     0.2174000000     0.6239500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4885400000     0.8297900000    -0.0004000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0706400000    -0.8317800000     0.4325900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0036400000     0.4391800000     1.6748800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2913000000     0.8476600000     0.9341000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3497800000     0.8780300000    -0.0460600000  0.00    0.0000000    0.0000000    0.0000000
C        2.0606900000    -0.5100100000    -0.2795900000  0.00    0.0000000    0.0000000    0.0000000
C        2.3197000000     0.5419800000    -1.0643300000  0.00    0.0000000    0.0000000    0.0000000
H        1.9222100000     0.5862400000    -2.0694400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6029700000    -0.5533800000     1.0534600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0264900000    -0.6208300000     2.1171000000  0.00    0.0000000    0.0000000    0.0000000
C        3.1188600000     1.6475000000    -0.6385700000  0.00    0.0000000    0.0000000    0.0000000
N        3.7577700000     2.5429800000    -0.3102300000  0.00    0.0000000    0.0000000    0.0000000
C        1.2231100000    -1.6772300000    -0.6964300000  0.00    0.0000000    0.0000000    0.0000000
H        1.8184700000    -2.5903700000    -0.6695400000  0.00    0.0000000    0.0000000    0.0000000
H        0.3933000000    -1.8019400000     0.0002300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8348700000    -1.5271600000    -1.7002000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    37.000000000000
C       -2.4263000000     0.4529100000     0.2273600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9749200000     0.4625400000    -0.8940500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6362900000     0.6537500000     1.3034700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8461200000     0.2305700000     0.6301600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4829000000     0.8420500000    -0.0044600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0902900000    -0.8167900000     0.4562300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0041900000     0.4730700000     1.6762200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2912600000     0.8525100000     0.9242300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3526300000     0.8500000000    -0.0505800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0648100000    -0.5141900000    -0.2812500000  0.00    0.0000000    0.0000000    0.0000000
C        2.3149900000     0.5421500000    -1.0626300000  0.00    0.0000000    0.0000000    0.0000000
H        1.9203900000     0.5847200000    -2.0689500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6030400000    -0.5550400000     1.0534900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0239900000    -0.6206400000     2.1182600000  0.00    0.0000000    0.0000000    0.0000000
C        3.0999000000     1.6550800000    -0.6313800000  0.00    0.0000000    0.0000000    0.0000000
N        3.7265900000     2.5569200000    -0.2985000000  0.00    0.0000000    0.0000000    0.0000000
C        1.2409600000    -1.6888800000    -0.7033900000  0.00    0.0000000    0.0000000    0.0000000
H        1.8447300000    -2.5960600000    -0.6740000000  0.00    0.0000000    0.0000000    0.0000000
H        0.4089600000    -1.8228900000    -0.0112500000  0.00    0.0000000    0.0000000    0.0000000
H        0.8565400000    -1.5417700000    -1.7089800000  0.00    0.0000000    0.0000000    0.0000000
20
E =    36.000000000000
C       -2.4280400000     0.4464600000     0.2310800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9740300000     0.4105900000    -0.8830000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6389900000     0.6813200000     1.2968400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8501000000     0.2467400000     0.6350600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4809600000     0.8564300000    -0.0070000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1036000000    -0.8002100000     0.4726800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0063700000     0.5028000000     1.6781500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2897700000     0.8329300000     0.9236700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3502000000     0.8393100000    -0.0592500000  0.00    0.0000000    0.0000000    0.0000000
C        2.0673000000    -0.5166400000    -0.2836300000  0.00    0.0000000    0.0000000    0.0000000
C        2.3110000000     0.5452500000    -1.0599300000  0.00    0.0000000    0.0000000    0.0000000
H        1.9187200000     0.5888100000    -2.0671500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6025900000    -0.5584300000     1.0523000000  0.00    0.0000000    0.0000000    0.0000000
N        3.0215800000    -0.6245400000     2.1177900000  0.00    0.0000000    0.0000000    0.0000000
C        3.0854500000     1.6634300000    -0.6222100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7031400000     2.5698700000    -0.2843800000  0.00    0.0000000    0.0000000    0.0000000
C        1.2542600000    -1.6965000000    -0.7128800000  0.00    0.0000000    0.0000000    0.0000000
H        1.8649700000    -2.5991200000    -0.6829600000  0.00    0.0000000    0.0000000    0.0000000
H        0.4197600000    -1.8384900000    -0.0252300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8732700000    -1.5500000000    -1.7199600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    35.000000000000
C       -2.4276900000     0.4497200000     0.2324600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9733800000     0.4011100000    -0.8812000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6368700000     0.6860100000     1.2956900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8510500000     0.2619900000     0.6391500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4785600000     0.8683900000    -0.0095900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1108000000    -0.7855800000     0.4890800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0054500000     0.5310000000     1.6794800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2881900000     0.8407600000     0.9150200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3474600000     0.7915200000    -0.0546100000  0.00    0.0000000    0.0000000    0.0000000
C        2.0692600000    -0.5202800000    -0.2860700000  0.00    0.0000000    0.0000000    0.0000000
C        2.3025700000     0.5473200000    -1.0577800000  0.00    0.0000000    0.0000000    0.0000000
H        1.9125900000     0.5901600000    -2.0659500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6015800000    -0.5610300000     1.0510600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0185500000    -0.6265900000     2.1173700000  0.00    0.0000000    0.0000000    0.0000000
C        3.0625700000     1.6730700000    -0.6138000000  0.00    0.0000000    0.0000000    0.0000000
N        3.6689300000     2.5855100000    -0.2710000000  0.00    0.0000000    0.0000000    0.0000000
C        1.2696800000    -1.7072600000    -0.7214000000  0.00    0.0000000    0.0000000    0.0000000
H        1.8878500000    -2.6046400000    -0.6873800000  0.00    0.0000000    0.0000000    0.0000000
H        0.4317600000    -1.8572600000    -0.0395900000  0.00    0.0000000    0.0000000    0.0000000
H        0.8941000000    -1.5639300000    -1.7309200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    34.000000000000
C       -2.4262100000     0.4460900000     0.2333800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9741200000     0.3864300000    -0.8825300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6322700000     0.6819000000     1.2974000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8511800000     0.2785800000     0.6418800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4723300000     0.8813300000    -0.0158800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1212000000    -0.7680200000     0.5067200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0030600000     0.5635300000     1.6779700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2809200000     0.8066800000     0.9188700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3446600000     0.8090300000    -0.0625700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0704500000    -0.5250400000    -0.2880400000  0.00    0.0000000    0.0000000    0.0000000
C        2.2924000000     0.5475600000    -1.0561200000  0.00    0.0000000    0.0000000    0.0000000
H        1.9039900000     0.5886800000    -2.0649900000  0.00    0.0000000    0.0000000    0.0000000
C        2.6003400000    -0.5634300000     1.0501600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0162200000    -0.6275900000     2.1169800000  0.00    0.0000000    0.0000000    0.0000000
C        3.0359900000     1.6816800000    -0.6064400000  0.00    0.0000000    0.0000000    0.0000000
N        3.6284500000     2.6011100000    -0.2587000000  0.00    0.0000000    0.0000000    0.0000000
C        1.2857100000    -1.7198700000    -0.7278600000  0.00    0.0000000    0.0000000    0.0000000
H        1.9123000000    -2.6110900000    -0.6894900000  0.00    0.0000000    0.0000000    0.0000000
H        0.4449800000    -1.8768400000    -0.0510400000  0.00    0.0000000    0.0000000    0.0000000
H        0.9151100000    -1.5807100000    -1.7397100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    33.000000000000
C       -2.4233600000     0.4443000000     0.2368000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9670500000     0.3492600000    -0.8744300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6325600000     0.7110100000     1.2948600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8501800000     0.2909200000     0.6450800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4660800000     0.8926300000    -0.0190300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1278300000    -0.7548900000     0.5186000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0016700000     0.5871000000     1.6782100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2806000000     0.8270400000     0.9149000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3408200000     0.7745700000    -0.0608400000  0.00    0.0000000    0.0000000    0.0000000
C        2.0711900000    -0.5293800000    -0.2907100000  0.00    0.0000000    0.0000000    0.0000000
C        2.2816100000     0.5497600000    -1.0529900000  0.00    0.0000000    0.0000000    0.0000000
H        1.8940400000     0.5917100000    -2.0621800000  0.00    0.0000000    0.0000000    0.0000000
C        2.5994100000    -0.5684700000     1.0481100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0141800000    -0.6334600000     2.1153000000  0.00    0.0000000    0.0000000    0.0000000
C        3.0107900000     1.6903400000    -0.5960800000  0.00    0.0000000    0.0000000    0.0000000
N        3.5916900000     2.6149000000    -0.2425200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3004100000    -1.7306700000    -0.7377600000  0.00    0.0000000    0.0000000    0.0000000
H        1.9354800000    -2.6158100000    -0.6985200000  0.00    0.0000000    0.0000000    0.0000000
H        0.4578200000    -1.8983100000    -0.0657200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9335500000    -1.5925400000    -1.7511000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    32.000000000000
C       -2.4202300000     0.4373700000     0.2415100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9611900000     0.3151900000    -0.8663600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6317100000     0.7265300000     1.2958100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8498000000     0.3054100000     0.6468900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4549700000     0.9063900000    -0.0276400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1410700000    -0.7377000000     0.5324900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0014700000     0.6179600000     1.6749200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2780900000     0.8274900000     0.9180300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3367200000     0.7662100000    -0.0589700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0721500000    -0.5342900000    -0.2937700000  0.00    0.0000000    0.0000000    0.0000000
C        2.2685700000     0.5515000000    -1.0501600000  0.00    0.0000000    0.0000000    0.0000000
H        1.8809000000     0.5936700000    -2.0593200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6000600000    -0.5734700000     1.0451900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0153000000    -0.6388300000     2.1121900000  0.00    0.0000000    0.0000000    0.0000000
C        2.9818000000     1.6991800000    -0.5863900000  0.00    0.0000000    0.0000000    0.0000000
N        3.5497500000     2.6293900000    -0.2272000000  0.00    0.0000000    0.0000000    0.0000000
C        1.3173500000    -1.7429500000    -0.7475700000  0.00    0.0000000    0.0000000    0.0000000
H        1.9613000000    -2.6213500000    -0.7048700000  0.00    0.0000000    0.0000000    0.0000000
H        0.4720200000    -1.9203700000    -0.0816000000  0.00    0.0000000    0.0000000    0.0000000
H        0.9560500000    -1.6073200000    -1.7632000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    31.000000000000
C       -2.4187200000     0.4313800000     0.2469900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9537500000     0.2582500000    -0.8457100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6355900000     0.7614400000     1.2911300000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8507800000     0.3147700000     0.6478100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4485800000     0.9167800000    -0.0322200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1501800000    -0.7265700000     0.5373900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0038200000     0.6349500000     1.6734800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2800400000     0.8519300000     0.9153200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3332800000     0.7393700000    -0.0517700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0732900000    -0.5367200000    -0.2969200000  0.00    0.0000000    0.0000000    0.0000000
C        2.2615500000     0.5551400000    -1.0475500000  0.00    0.0000000    0.0000000    0.0000000
H        1.8734800000     0.6000300000    -2.0564500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6017600000    -0.5792100000     1.0417100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0177600000    -0.6471600000     2.1082200000  0.00    0.0000000    0.0000000    0.0000000
C        2.9670100000     1.7056700000    -0.5778100000  0.00    0.0000000    0.0000000    0.0000000
N        3.5290400000     2.6380700000    -0.2137400000  0.00    0.0000000    0.0000000    0.0000000
C        1.3268400000    -1.7487000000    -0.7570400000  0.00    0.0000000    0.0000000    0.0000000
H        1.9756100000    -2.6238300000    -0.7139500000  0.00    0.0000000    0.0000000    0.0000000
H        0.4794900000    -1.9332900000    -0.0952200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9689200000    -1.6122900000    -1.7736500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    30.000000000000
C       -2.4176000000     0.4327100000     0.2486500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9503200000     0.2663600000    -0.8537900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6350500000     0.7570500000     1.2970400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8512400000     0.3305300000     0.6470900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4424500000     0.9309000000    -0.0401900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1594100000    -0.7084800000     0.5463200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0036400000     0.6628200000     1.6681600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2777100000     0.8368000000     0.9223800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3293600000     0.7265500000    -0.0512200000  0.00    0.0000000    0.0000000    0.0000000
C        2.0757900000    -0.5426100000    -0.2977200000  0.00    0.0000000    0.0000000    0.0000000
C        2.2461900000     0.5547300000    -1.0440500000  0.00    0.0000000    0.0000000    0.0000000
H        1.8538600000     0.5985300000    -2.0514100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6089700000    -0.5835000000     1.0390800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0290700000    -0.6503200000     2.1040600000  0.00    0.0000000    0.0000000    0.0000000
C        2.9360500000     1.7131900000    -0.5714100000  0.00    0.0000000    0.0000000    0.0000000
N        3.4845500000     2.6523000000    -0.2050100000  0.00    0.0000000    0.0000000    0.0000000
C        1.3443500000    -1.7622100000    -0.7609300000  0.00    0.0000000    0.0000000    0.0000000
H        2.0036500000    -2.6289100000    -0.7214400000  0.00    0.0000000    0.0000000    0.0000000
H        0.5005300000    -1.9593300000    -0.0989700000  0.00    0.0000000    0.0000000    0.0000000
H        0.9837700000    -1.6271200000    -1.7766600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    29.000000000000
C       -2.4149500000     0.4359700000     0.2485500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9457200000     0.2308900000    -0.8371300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6332200000     0.7795700000     1.2885900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8512000000     0.3470700000     0.6444400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4371900000     0.9478100000    -0.0484900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1654200000    -0.6924300000     0.5496600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0049900000     0.6858300000     1.6648100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2755100000     0.8319000000     0.9275300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3261700000     0.6957100000    -0.0439700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0774700000    -0.5460800000    -0.2993400000  0.00    0.0000000    0.0000000    0.0000000
C        2.2330900000     0.5572400000    -1.0403500000  0.00    0.0000000    0.0000000    0.0000000
H        1.8367200000     0.6016100000    -2.0460000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6149500000    -0.5882000000     1.0356900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0386700000    -0.6561600000     2.0992500000  0.00    0.0000000    0.0000000    0.0000000
C        2.9107900000     1.7213500000    -0.5638100000  0.00    0.0000000    0.0000000    0.0000000
N        3.4497200000     2.6649500000    -0.1945100000  0.00    0.0000000    0.0000000    0.0000000
C        1.3574000000    -1.7710000000    -0.7668700000  0.00    0.0000000    0.0000000    0.0000000
H        2.0255300000    -2.6317500000    -0.7321200000  0.00    0.0000000    0.0000000    0.0000000
H        0.5161800000    -1.9798200000    -0.1043200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9938600000    -1.6344500000    -1.7816000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    28.000000000000
C       -2.4146400000     0.4307600000     0.2539200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9431000000     0.2307200000    -0.8415600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6337900000     0.7678000000     1.3013100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8524800000     0.3607900000     0.6437100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4247100000     0.9593500000    -0.0606800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1808600000    -0.6728200000     0.5590800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0069300000     0.7162700000     1.6565500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2745300000     0.8373100000     0.9210900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3212800000     0.6702800000    -0.0371900000  0.00    0.0000000    0.0000000    0.0000000
C        2.0795000000    -0.5503100000    -0.2999700000  0.00    0.0000000    0.0000000    0.0000000
C        2.2194000000     0.5578500000    -1.0365800000  0.00    0.0000000    0.0000000    0.0000000
H        1.8195200000     0.6016800000    -2.0408800000  0.00    0.0000000    0.0000000    0.0000000
C        2.6224600000    -0.5918600000     1.0328200000  0.00    0.0000000    0.0000000    0.0000000
N        3.0512400000    -0.6593000000     2.0942600000  0.00    0.0000000    0.0000000    0.0000000
C        2.8850100000     1.7278400000    -0.5575300000  0.00    0.0000000    0.0000000    0.0000000
N        3.4140400000     2.6762400000    -0.1864700000  0.00    0.0000000    0.0000000    0.0000000
C        1.3719800000    -1.7812700000    -0.7705000000  0.00    0.0000000    0.0000000    0.0000000
H        2.0502800000    -2.6337800000    -0.7434500000  0.00    0.0000000    0.0000000    0.0000000
H        0.5368700000    -2.0035300000    -0.1052800000  0.00    0.0000000    0.0000000    0.0000000
H        1.0020300000    -1.6440100000    -1.7826500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    27.000000000000
C       -2.4147100000     0.4352200000     0.2546400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9403400000     0.1960900000    -0.8239600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6351800000     0.7969000000     1.2890500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8541200000     0.3779000000     0.6404600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4263700000     0.9731000000    -0.0673500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1825500000    -0.6575000000     0.5620300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0093600000     0.7382600000     1.6522500000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2729400000     0.8088400000     0.9371200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3188900000     0.6551000000    -0.0390800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0818400000    -0.5532600000    -0.3015300000  0.00    0.0000000    0.0000000    0.0000000
C        2.2085800000     0.5597300000    -1.0336400000  0.00    0.0000000    0.0000000    0.0000000
H        1.8053100000     0.6041900000    -2.0367000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6293000000    -0.5952500000     1.0295000000  0.00    0.0000000    0.0000000    0.0000000
N        3.0613300000    -0.6624600000     2.0897000000  0.00    0.0000000    0.0000000    0.0000000
C        2.8641500000     1.7340900000    -0.5513500000  0.00    0.0000000    0.0000000    0.0000000
N        3.3852000000     2.6857700000    -0.1774300000  0.00    0.0000000    0.0000000    0.0000000
C        1.3843900000    -1.7888900000    -0.7753100000  0.00    0.0000000    0.0000000    0.0000000
H        2.0716700000    -2.6349900000    -0.7558100000  0.00    0.0000000    0.0000000    0.0000000
H        0.5541900000    -2.0233700000    -0.1073300000  0.00    0.0000000    0.0000000    0.0000000
H        1.0085000000    -1.6494500000    -1.7852700000  0.00    0.0000000    0.0000000    0.0000000
20
E =    26.000000000000
C       -2.4157100000     0.4366400000     0.2533800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9405200000     0.1894100000    -0.8259300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6362200000     0.7946300000     1.2919500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8568100000     0.3924600000     0.6387400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4222400000     0.9867000000    -0.0760900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1949700000    -0.6409700000     0.5698700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0110300000     0.7643900000     1.6468800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2741900000     0.8225800000     0.9283400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3175800000     0.6102000000    -0.0179900000  0.00    0.0000000    0.0000000    0.0000000
C        2.0851100000    -0.5565200000    -0.3024500000  0.00    0.0000000    0.0000000    0.0000000
C        2.1969700000     0.5607900000    -1.0301900000  0.00    0.0000000    0.0000000    0.0000000
H        1.7886900000     0.6051900000    -2.0310800000  0.00    0.0000000    0.0000000    0.0000000
C        2.6383800000    -0.5983200000     1.0260900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0749200000    -0.6652600000     2.0844700000  0.00    0.0000000    0.0000000    0.0000000
C        2.8424800000     1.7395900000    -0.5453800000  0.00    0.0000000    0.0000000    0.0000000
N        3.3559600000     2.6944900000    -0.1693700000  0.00    0.0000000    0.0000000    0.0000000
C        1.3990500000    -1.7975100000    -0.7790400000  0.00    0.0000000    0.0000000    0.0000000
H        2.0969200000    -2.6353800000    -0.7705200000  0.00    0.0000000    0.0000000    0.0000000
H        0.5769200000    -2.0472500000    -0.1063400000  0.00    0.0000000    0.0000000    0.0000000
H        1.0138500000    -1.6558800000    -1.7853200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    25.000000000000
C       -2.4176600000     0.4269600000     0.2581900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9415100000     0.1580600000    -0.8181500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6385900000     0.7991100000     1.2943700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8603600000     0.4078500000     0.6370100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4125800000     1.0010000000    -0.0882900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2144400000    -0.6199600000     0.5791300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0136100000     0.7956600000     1.6385700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2749100000     0.7996400000     0.9398400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3180600000     0.6167100000    -0.0287100000  0.00    0.0000000    0.0000000    0.0000000
C        2.0880600000    -0.5594400000    -0.3027900000  0.00    0.0000000    0.0000000    0.0000000
C        2.1858000000     0.5618600000    -1.0260700000  0.00    0.0000000    0.0000000    0.0000000
H        1.7735800000     0.6062100000    -2.0253100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6476300000    -0.6012000000     1.0230100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0898300000    -0.6682000000     2.0789100000  0.00    0.0000000    0.0000000    0.0000000
C        2.8225900000     1.7446200000    -0.5395200000  0.00    0.0000000    0.0000000    0.0000000
N        3.3292600000     2.7027200000    -0.1625300000  0.00    0.0000000    0.0000000    0.0000000
C        1.4136600000    -1.8054300000    -0.7824000000  0.00    0.0000000    0.0000000    0.0000000
H        2.1225300000    -2.6336900000    -0.7874300000  0.00    0.0000000    0.0000000    0.0000000
H        0.6017800000    -2.0713500000    -0.1041200000  0.00    0.0000000    0.0000000    0.0000000
H        1.0169900000    -1.6611300000    -1.7837100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    24.000000000000
C       -2.4194300000     0.4237000000     0.2616800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9403800000     0.1135100000    -0.7982900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6423200000     0.8301200000     1.2821700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8635600000     0.4200300000     0.6361300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4087700000     1.0135800000    -0.0947900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2256900000    -0.6056600000     0.5833900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0170800000     0.8165600000     1.6348200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2778400000     0.8186600000     0.9298300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3182300000     0.5714000000    -0.0143000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0912900000    -0.5613900000    -0.3039900000  0.00    0.0000000    0.0000000    0.0000000
C        2.1785400000     0.5640600000    -1.0228700000  0.00    0.0000000    0.0000000    0.0000000
H        1.7625200000     0.6099900000    -2.0206700000  0.00    0.0000000    0.0000000    0.0000000
C        2.6558300000    -0.6052800000     1.0199200000  0.00    0.0000000    0.0000000    0.0000000
N        3.1018000000    -0.6738600000     2.0744000000  0.00    0.0000000    0.0000000    0.0000000
C        2.8087100000     1.7491800000    -0.5333600000  0.00    0.0000000    0.0000000    0.0000000
N        3.3104600000     2.7089500000    -0.1539400000  0.00    0.0000000    0.0000000    0.0000000
C        1.4243200000    -1.8102000000    -0.7872200000  0.00    0.0000000    0.0000000    0.0000000
H        2.1410900000    -2.6316000000    -0.8039100000  0.00    0.0000000    0.0000000    0.0000000
H        0.6204700000    -2.0894700000    -0.1046600000  0.00    0.0000000    0.0000000    0.0000000
H        1.0182600000    -1.6622800000    -1.7843200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    23.000000000000
C       -2.4259900000     0.4224800000     0.2629100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9477000000     0.0989300000    -0.7962000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6473400000     0.8297300000     1.2851200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8710000000     0.4382800000     0.6336200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4084800000     1.0250800000    -0.1082700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2432000000    -0.5843500000     0.5963800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0232600000     0.8521100000     1.6252600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2821600000     0.8013600000     0.9366900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3230600000     0.5540000000    -0.0122000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0988900000    -0.5649700000    -0.3046300000  0.00    0.0000000    0.0000000    0.0000000
C        2.1668200000     0.5643100000    -1.0192000000  0.00    0.0000000    0.0000000    0.0000000
H        1.7413200000     0.6097200000    -2.0129700000  0.00    0.0000000    0.0000000    0.0000000
C        2.6764100000    -0.6081300000     1.0135900000  0.00    0.0000000    0.0000000    0.0000000
N        3.1334100000    -0.6763800000     2.0632700000  0.00    0.0000000    0.0000000    0.0000000
C        2.7881500000     1.7542600000    -0.5302500000  0.00    0.0000000    0.0000000    0.0000000
N        3.2825900000     2.7179000000    -0.1512500000  0.00    0.0000000    0.0000000    0.0000000
C        1.4423600000    -1.8192700000    -0.7875800000  0.00    0.0000000    0.0000000    0.0000000
H        2.1688100000    -2.6317700000    -0.8159700000  0.00    0.0000000    0.0000000    0.0000000
H        0.6490000000    -2.1119800000    -0.0985300000  0.00    0.0000000    0.0000000    0.0000000
H        1.0244500000    -1.6712900000    -1.7797900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    22.000000000000
C       -2.4304600000     0.4143500000     0.2687300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9504100000     0.0472300000    -0.7739900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6529700000     0.8592700000     1.2749200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8765200000     0.4511500000     0.6330400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4037400000     1.0350800000    -0.1184900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2608200000    -0.5670200000     0.6064500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0281300000     0.8803000000     1.6180900000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2872100000     0.8154300000     0.9306200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3271200000     0.5232700000    -0.0042200000  0.00    0.0000000    0.0000000    0.0000000
C        2.1047000000    -0.5673000000    -0.3062800000  0.00    0.0000000    0.0000000    0.0000000
C        2.1583600000     0.5657800000    -1.0159100000  0.00    0.0000000    0.0000000    0.0000000
H        1.7245800000     0.6126500000    -2.0060200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6932100000    -0.6123100000     1.0069400000  0.00    0.0000000    0.0000000    0.0000000
N        3.1590700000    -0.6822600000     2.0525700000  0.00    0.0000000    0.0000000    0.0000000
C        2.7748900000     1.7579300000    -0.5263000000  0.00    0.0000000    0.0000000    0.0000000
N        3.2658200000     2.7231300000    -0.1467500000  0.00    0.0000000    0.0000000    0.0000000
C        1.4541200000    -1.8244100000    -0.7902400000  0.00    0.0000000    0.0000000    0.0000000
H        2.1864900000    -2.6305900000    -0.8284200000  0.00    0.0000000    0.0000000    0.0000000
H        0.6689400000    -2.1268000000    -0.0966400000  0.00    0.0000000    0.0000000    0.0000000
H        1.0272200000    -1.6748800000    -1.7780900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    21.000000000000
C       -2.4377500000     0.4101600000     0.2741500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9547300000     0.0102300000    -0.7567500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6629400000     0.8840800000     1.2703000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8846000000     0.4628500000     0.6327200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4038800000     1.0441400000    -0.1266400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2779800000    -0.5518100000     0.6154600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0355500000     0.9044300000     1.6120700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2966900000     0.8306500000     0.9299100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3339400000     0.4980700000     0.0066100000  0.00    0.0000000    0.0000000    0.0000000
C        2.1141900000    -0.5708300000    -0.3103300000  0.00    0.0000000    0.0000000    0.0000000
C        2.1537300000     0.5664400000    -1.0141400000  0.00    0.0000000    0.0000000    0.0000000
H        1.7100300000     0.6157200000    -1.9996800000  0.00    0.0000000    0.0000000    0.0000000
C        2.7135100000    -0.6187600000     0.9979500000  0.00    0.0000000    0.0000000    0.0000000
N        3.1867000000    -0.6909700000     2.0401500000  0.00    0.0000000    0.0000000    0.0000000
C        2.7660200000     1.7598800000    -0.5230900000  0.00    0.0000000    0.0000000    0.0000000
N        3.2523600000     2.7261500000    -0.1417600000  0.00    0.0000000    0.0000000    0.0000000
C        1.4670300000    -1.8296600000    -0.7940800000  0.00    0.0000000    0.0000000    0.0000000
H        2.2087600000    -2.6369100000    -0.8361900000  0.00    0.0000000    0.0000000    0.0000000
H        0.6822200000    -2.1375500000    -0.0917800000  0.00    0.0000000    0.0000000    0.0000000
H        1.0335200000    -1.6763100000    -1.7849000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    20.000000000000
C       -2.4400100000     0.4087600000     0.2783400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9554900000    -0.0188400000    -0.7386600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6663700000     0.9060100000     1.2616200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8884600000     0.4736000000     0.6297100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3994800000     1.0517000000    -0.1376300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2885200000    -0.5389500000     0.6182200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0427500000     0.9253000000     1.6043200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2990000000     0.8404700000     0.9262700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3351700000     0.4818400000     0.0156600000  0.00    0.0000000    0.0000000    0.0000000
C        2.1150400000    -0.5741600000    -0.3086600000  0.00    0.0000000    0.0000000    0.0000000
C        2.1446900000     0.5660300000    -1.0092500000  0.00    0.0000000    0.0000000    0.0000000
H        1.6964600000     0.6165700000    -1.9929700000  0.00    0.0000000    0.0000000    0.0000000
C        2.7218900000    -0.6230400000     0.9961000000  0.00    0.0000000    0.0000000    0.0000000
N        3.2007000000    -0.6958900000     2.0356200000  0.00    0.0000000    0.0000000    0.0000000
C        2.7557100000     1.7609700000    -0.5187900000  0.00    0.0000000    0.0000000    0.0000000
N        3.2429600000     2.7280000000    -0.1383000000  0.00    0.0000000    0.0000000    0.0000000
C        1.4763000000    -1.8361500000    -0.7960000000  0.00    0.0000000    0.0000000    0.0000000
H        2.2258200000    -2.6227300000    -0.8784700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7241600000    -2.1732400000    -0.0826100000  0.00    0.0000000    0.0000000    0.0000000
H        1.0115300000    -1.6762700000    -1.7644900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    19.000000000000
C       -2.4314300000     0.4056700000     0.2783400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9483700000    -0.0400900000    -0.7323500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6555300000     0.9098400000     1.2573300000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8798100000     0.4882700000     0.6257400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3842400000     1.0603400000    -0.1503300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2890200000    -0.5205400000     0.6274400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0312300000     0.9548400000     1.5936700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2883900000     0.8289600000     0.9246700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3270100000     0.4546500000     0.0193800000  0.00    0.0000000    0.0000000    0.0000000
C        2.1124800000    -0.5764500000    -0.3095300000  0.00    0.0000000    0.0000000    0.0000000
C        2.1251300000     0.5674600000    -1.0039800000  0.00    0.0000000    0.0000000    0.0000000
H        1.6685200000     0.6185300000    -1.9837500000  0.00    0.0000000    0.0000000    0.0000000
C        2.7297400000    -0.6257200000     0.9902500000  0.00    0.0000000    0.0000000    0.0000000
N        3.2172400000    -0.6987900000     2.0256800000  0.00    0.0000000    0.0000000    0.0000000
C        2.7238000000     1.7668700000    -0.5096500000  0.00    0.0000000    0.0000000    0.0000000
N        3.1991700000     2.7380100000    -0.1250900000  0.00    0.0000000    0.0000000    0.0000000
C        1.4804700000    -1.8414800000    -0.7976100000  0.00    0.0000000    0.0000000    0.0000000
H        2.2372700000    -2.6216300000    -0.8930600000  0.00    0.0000000    0.0000000    0.0000000
H        0.7387600000    -2.1892700000    -0.0765000000  0.00    0.0000000    0.0000000    0.0000000
H        1.0024500000    -1.6794500000    -1.7606700000  0.00    0.0000000    0.0000000    0.0000000
20
E =    18.000000000000
C       -2.4199200000     0.3965500000     0.2753900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9416500000    -0.0730000000    -0.7264100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6390700000     0.9166600000     1.2417900000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8666900000     0.4964600000     0.6232600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3655800000     1.0676100000    -0.1571700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2863700000    -0.5077100000     0.6336000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0116100000     0.9733400000     1.5870700000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2737100000     0.8220800000     0.9064400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3183600000     0.4280400000     0.0104700000  0.00    0.0000000    0.0000000    0.0000000
C        2.1070200000    -0.5757500000    -0.3072100000  0.00    0.0000000    0.0000000    0.0000000
C        2.1095100000     0.5709000000    -0.9968100000  0.00    0.0000000    0.0000000    0.0000000
H        1.6471200000     0.6234000000    -1.9737100000  0.00    0.0000000    0.0000000    0.0000000
C        2.7300500000    -0.6263300000     0.9897100000  0.00    0.0000000    0.0000000    0.0000000
N        3.2216400000    -0.7002000000     2.0231600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6978700000     1.7733000000    -0.4975600000  0.00    0.0000000    0.0000000    0.0000000
N        3.1622900000     2.7475900000    -0.1076800000  0.00    0.0000000    0.0000000    0.0000000
C        1.4771700000    -1.8416000000    -0.7963300000  0.00    0.0000000    0.0000000    0.0000000
H        2.2387300000    -2.6131900000    -0.9171400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7545800000    -2.2042000000    -0.0637200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9769600000    -1.6739500000    -1.7471600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    17.000000000000
C       -2.4052100000     0.3863500000     0.2694300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9324800000    -0.1019000000    -0.7259500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6186400000     0.9191600000     1.2238800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8496600000     0.5004400000     0.6209500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3452800000     1.0733600000    -0.1603300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2787600000    -0.4994500000     0.6371600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9859800000     0.9836200000     1.5828600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2557500000     0.8141000000     0.8828700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3081700000     0.4060200000    -0.0063600000  0.00    0.0000000    0.0000000    0.0000000
C        2.0995900000    -0.5738500000    -0.3034500000  0.00    0.0000000    0.0000000    0.0000000
C        2.0966100000     0.5745100000    -0.9900400000  0.00    0.0000000    0.0000000    0.0000000
H        1.6303900000     0.6283200000    -1.9650200000  0.00    0.0000000    0.0000000    0.0000000
C        2.7253700000    -0.6254700000     0.9920600000  0.00    0.0000000    0.0000000    0.0000000
N        3.2182000000    -0.6998400000     2.0249000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6754200000     1.7794000000    -0.4857800000  0.00    0.0000000    0.0000000    0.0000000
N        3.1285800000     2.7566100000    -0.0899800000  0.00    0.0000000    0.0000000    0.0000000
C        1.4674100000    -1.8389300000    -0.7920800000  0.00    0.0000000    0.0000000    0.0000000
H        2.2303900000    -2.6046300000    -0.9383700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7636400000    -2.2134700000    -0.0473200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9443300000    -1.6643700000    -1.7294200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    16.000000000000
C       -2.3900400000     0.3778500000     0.2611800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9241300000    -0.1237500000    -0.7308000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5965700000     0.9179300000     1.2055600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8315300000     0.5037800000     0.6191400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3263300000     1.0789000000    -0.1610900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2684800000    -0.4924300000     0.6406900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9579000000     0.9913300000     1.5802600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2366900000     0.8036600000     0.8568200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2979500000     0.3844600000    -0.0264800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0919500000    -0.5718500000    -0.2991100000  0.00    0.0000000    0.0000000    0.0000000
C        2.0847000000     0.5778400000    -0.9833200000  0.00    0.0000000    0.0000000    0.0000000
H        1.6152200000     0.6328300000    -1.9566400000  0.00    0.0000000    0.0000000    0.0000000
C        2.7191100000    -0.6239400000     0.9956700000  0.00    0.0000000    0.0000000    0.0000000
N        3.2117200000    -0.6982600000     2.0286100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6539600000     1.7851400000    -0.4742000000  0.00    0.0000000    0.0000000    0.0000000
N        3.0957900000     2.7651600000    -0.0727500000  0.00    0.0000000    0.0000000    0.0000000
C        1.4562200000    -1.8359400000    -0.7864300000  0.00    0.0000000    0.0000000    0.0000000
H        2.2188400000    -2.5964500000    -0.9573400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7711300000    -2.2209600000    -0.0300400000  0.00    0.0000000    0.0000000    0.0000000
H        0.9110000000    -1.6552900000    -1.7097400000  0.00    0.0000000    0.0000000    0.0000000
20
E =    15.000000000000
C       -2.3745000000     0.3709600000     0.2511300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9162800000    -0.1399900000    -0.7397800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5735300000     0.9142900000     1.1870200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8123900000     0.5067400000     0.6177900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3084500000     1.0841800000    -0.1598900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2556000000    -0.4864200000     0.6446500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9274300000     0.9972400000     1.5788300000  0.00    0.0000000    0.0000000    0.0000000
O       -0.2171100000     0.7911700000     0.8298400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2876000000     0.3624300000    -0.0485000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0840800000    -0.5697600000    -0.2944800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0723300000     0.5812800000    -0.9763100000  0.00    0.0000000    0.0000000    0.0000000
H        1.5986000000     0.6376600000    -1.9476400000  0.00    0.0000000    0.0000000    0.0000000
C        2.7120400000    -0.6221200000     0.9998400000  0.00    0.0000000    0.0000000    0.0000000
N        3.2032200000    -0.6960800000     2.0335200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6329200000     1.7908000000    -0.4630800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0643500000     2.7734400000    -0.0569700000  0.00    0.0000000    0.0000000    0.0000000
C        1.4442300000    -1.8328400000    -0.7798500000  0.00    0.0000000    0.0000000    0.0000000
H        2.2056000000    -2.5891200000    -0.9730100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7762000000    -2.2264400000    -0.0127300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8793300000    -1.6474200000    -1.6904000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    14.000000000000
C       -2.3585700000     0.3651600000     0.2403000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9083000000    -0.1532600000    -0.7504800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5500900000     0.9105500000     1.1681500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7925000000     0.5090400000     0.6167000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2908800000     1.0888900000    -0.1576300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2406700000    -0.4816100000     0.6484400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8958700000     1.0014500000     1.5780600000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1974500000     0.7795900000     0.8016800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2772000000     0.3405300000    -0.0704800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0760800000    -0.5677800000    -0.2896700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0585600000     0.5848300000    -0.9686000000  0.00    0.0000000    0.0000000    0.0000000
H        1.5770000000     0.6432800000    -1.9361100000  0.00    0.0000000    0.0000000    0.0000000
C        2.7044800000    -0.6203500000     1.0043000000  0.00    0.0000000    0.0000000    0.0000000
N        3.1921900000    -0.6935600000     2.0397200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6127600000     1.7961000000    -0.4527100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0365800000     2.7806800000    -0.0434900000  0.00    0.0000000    0.0000000    0.0000000
C        1.4322400000    -1.8299100000    -0.7731000000  0.00    0.0000000    0.0000000    0.0000000
H        2.1920800000    -2.5816800000    -0.9875400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7805800000    -2.2320300000     0.0034300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8489500000    -1.6399500000    -1.6709800000  0.00    0.0000000    0.0000000    0.0000000
20
E =    13.000000000000
C       -2.3417700000     0.3603600000     0.2295000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8987000000    -0.1639900000    -0.7616900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5264700000     0.9067700000     1.1501700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7715400000     0.5109600000     0.6156700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2727300000     1.0932000000    -0.1548700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2234200000    -0.4776800000     0.6520600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8631600000     1.0046000000     1.5775400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1778800000     0.7682200000     0.7742300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2674700000     0.3190900000    -0.0931800000  0.00    0.0000000    0.0000000    0.0000000
C        2.0671200000    -0.5657200000    -0.2849600000  0.00    0.0000000    0.0000000    0.0000000
C        2.0423000000     0.5887900000    -0.9602400000  0.00    0.0000000    0.0000000    0.0000000
H        1.5487000000     0.6502300000    -1.9217400000  0.00    0.0000000    0.0000000    0.0000000
C        2.6955000000    -0.6183500000     1.0088700000  0.00    0.0000000    0.0000000    0.0000000
N        3.1775800000    -0.6904300000     2.0470100000  0.00    0.0000000    0.0000000    0.0000000
C        2.5926900000     1.8011000000    -0.4428900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0130300000     2.7866000000    -0.0322500000  0.00    0.0000000    0.0000000    0.0000000
C        1.4208100000    -1.8274700000    -0.7669100000  0.00    0.0000000    0.0000000    0.0000000
H        2.1800800000    -2.5741100000    -0.9996300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7834900000    -2.2381500000     0.0168100000  0.00    0.0000000    0.0000000    0.0000000
H        0.8218400000    -1.6340300000    -1.6534900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    12.000000000000
C       -2.3242600000     0.3571700000     0.2198100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8887200000    -0.1720000000    -0.7724300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5018000000     0.9034600000     1.1333100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7495200000     0.5128100000     0.6151300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2527300000     1.0968200000    -0.1525200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2028400000    -0.4748600000     0.6547400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8311100000     1.0070200000     1.5775000000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1585400000     0.7565800000     0.7450000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2619900000     0.2964800000    -0.1143600000  0.00    0.0000000    0.0000000    0.0000000
C        2.0560300000    -0.5631000000    -0.2797500000  0.00    0.0000000    0.0000000    0.0000000
C        2.0233200000     0.5933800000    -0.9511000000  0.00    0.0000000    0.0000000    0.0000000
H        1.5141600000     0.6590800000    -1.9042300000  0.00    0.0000000    0.0000000    0.0000000
C        2.6845300000    -0.6158800000     1.0139300000  0.00    0.0000000    0.0000000    0.0000000
N        3.1607200000    -0.6869800000     2.0548300000  0.00    0.0000000    0.0000000    0.0000000
C        2.5731700000     1.8057600000    -0.4335400000  0.00    0.0000000    0.0000000    0.0000000
N        2.9952400000     2.7909300000    -0.0236800000  0.00    0.0000000    0.0000000    0.0000000
C        1.4097600000    -1.8253500000    -0.7612800000  0.00    0.0000000    0.0000000    0.0000000
H        2.1710900000    -2.5651500000    -1.0077800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7837900000    -2.2456200000     0.0263700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7996900000    -1.6305400000    -1.6399600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    11.000000000000
C       -2.3065300000     0.3565000000     0.2145900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8772900000    -0.1765500000    -0.7805600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4800700000     0.9025900000     1.1237500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7279700000     0.5145500000     0.6151700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2313200000     1.0989000000    -0.1518400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1800500000    -0.4734300000     0.6552800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8053000000     1.0085800000     1.5775300000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1411500000     0.7455200000     0.7178700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2614500000     0.2719500000    -0.1451700000  0.00    0.0000000    0.0000000    0.0000000
C        2.0420300000    -0.5596800000    -0.2727600000  0.00    0.0000000    0.0000000    0.0000000
C        2.0020900000     0.5982600000    -0.9404400000  0.00    0.0000000    0.0000000    0.0000000
H        1.4767900000     0.6685500000    -1.8844500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6731100000    -0.6134600000     1.0196700000  0.00    0.0000000    0.0000000    0.0000000
N        3.1459200000    -0.6840300000     2.0610000000  0.00    0.0000000    0.0000000    0.0000000
C        2.5548800000     1.8100900000    -0.4244600000  0.00    0.0000000    0.0000000    0.0000000
N        2.9857500000     2.7927900000    -0.0196100000  0.00    0.0000000    0.0000000    0.0000000
C        1.3994400000    -1.8233100000    -0.7557900000  0.00    0.0000000    0.0000000    0.0000000
H        2.1663200000    -2.5541700000    -1.0114400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7813600000    -2.2549200000     0.0320400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7834200000    -1.6287600000    -1.6303900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    10.000000000000
C       -2.2904000000     0.3579900000     0.2133500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8729400000    -0.1775300000    -0.7816300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4452000000     0.8988200000     1.1077000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7095800000     0.5168300000     0.6168400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2080400000     1.0989500000    -0.1553300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1547900000    -0.4747800000     0.6516000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7928700000     1.0099800000     1.5790800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1225200000     0.7267400000     0.6792700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2774600000     0.2615800000    -0.1534000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0254900000    -0.5561800000    -0.2646800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9801400000     0.6034300000    -0.9306600000  0.00    0.0000000    0.0000000    0.0000000
H        1.4428300000     0.6774300000    -1.8658200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6601400000    -0.6101900000     1.0261700000  0.00    0.0000000    0.0000000    0.0000000
N        3.1378300000    -0.6825800000     2.0661600000  0.00    0.0000000    0.0000000    0.0000000
C        2.5413000000     1.8130400000    -0.4180300000  0.00    0.0000000    0.0000000    0.0000000
N        2.9818100000     2.7940200000    -0.0177000000  0.00    0.0000000    0.0000000    0.0000000
C        1.3895100000    -1.8216000000    -0.7505600000  0.00    0.0000000    0.0000000    0.0000000
H        2.1669400000    -2.5395100000    -1.0106500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7755900000    -2.2672400000     0.0331100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7722100000    -1.6291900000    -1.6248400000  0.00    0.0000000    0.0000000    0.0000000
20
E =     9.000000000000
C       -2.2765700000     0.3634300000     0.2202100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8579200000    -0.1763100000    -0.7807500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4321600000     0.9019900000     1.1085400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6922100000     0.5191400000     0.6190300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1833600000     1.0979300000    -0.1593400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1279900000    -0.4760400000     0.6469900000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7877200000     1.0115700000     1.5817900000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1101700000     0.7199200000     0.6660300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.2873600000     0.2303200000    -0.2051000000  0.00    0.0000000    0.0000000    0.0000000
C        2.0072500000    -0.5501800000    -0.2542400000  0.00    0.0000000    0.0000000    0.0000000
C        1.9625000000     0.6076800000    -0.9199300000  0.00    0.0000000    0.0000000    0.0000000
H        1.4117800000     0.6850100000    -1.8496000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6465400000    -0.6069700000     1.0326900000  0.00    0.0000000    0.0000000    0.0000000
N        3.1348800000    -0.6824500000     2.0680600000  0.00    0.0000000    0.0000000    0.0000000
C        2.5293300000     1.8151400000    -0.4128700000  0.00    0.0000000    0.0000000    0.0000000
N        2.9818500000     2.7937400000    -0.0186200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3793900000    -1.8191200000    -0.7452900000  0.00    0.0000000    0.0000000    0.0000000
H        2.1693800000    -2.5231700000    -1.0074200000  0.00    0.0000000    0.0000000    0.0000000
H        0.7688600000    -2.2806100000     0.0317300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7636900000    -1.6310400000    -1.6219100000  0.00    0.0000000    0.0000000    0.0000000
20
E =     8.000000000000
C       -2.2583500000     0.3687000000     0.2262300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8604900000    -0.1742500000    -0.7771100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3985700000     0.9021800000     1.1019200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6746200000     0.5221300000     0.6225600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1584100000     1.0945000000    -0.1655800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1009200000    -0.4778000000     0.6390600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7903200000     1.0119600000     1.5835400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.0912200000     0.6954200000     0.6182900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3038000000     0.2245900000    -0.2089200000  0.00    0.0000000    0.0000000    0.0000000
C        1.9861900000    -0.5466100000    -0.2447500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9411100000     0.6118900000    -0.9113800000  0.00    0.0000000    0.0000000    0.0000000
H        1.3869200000     0.6917400000    -1.8369800000  0.00    0.0000000    0.0000000    0.0000000
C        2.6279500000    -0.6029100000     1.0421300000  0.00    0.0000000    0.0000000    0.0000000
N        3.1346100000    -0.6826000000     2.0682200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5123500000     1.8190700000    -0.4045900000  0.00    0.0000000    0.0000000    0.0000000
N        2.9842000000     2.7917400000    -0.0200500000  0.00    0.0000000    0.0000000    0.0000000
C        1.3700100000    -1.8177400000    -0.7403600000  0.00    0.0000000    0.0000000    0.0000000
H        2.1745600000    -2.5041200000    -1.0018400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7617500000    -2.2955600000     0.0289500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7570500000    -1.6323400000    -1.6193400000  0.00    0.0000000    0.0000000    0.0000000
20
E =     7.000000000000
C       -2.2417600000     0.3762500000     0.2367500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8457900000    -0.1694400000    -0.7699800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3636200000     0.9027200000     1.0962400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6587600000     0.5248000000     0.6258900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1358800000     1.0906600000    -0.1705400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0764100000    -0.4785500000     0.6319400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.7957200000     1.0120600000     1.5850800000  0.00    0.0000000    0.0000000    0.0000000
O       -0.0801000000     0.6834300000     0.5963900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3298400000     0.1982600000    -0.2501900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9642600000    -0.5398700000    -0.2317800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9197200000     0.6179800000    -0.8990100000  0.00    0.0000000    0.0000000    0.0000000
H        1.3651500000     0.6974400000    -1.8240200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6117900000    -0.5988800000     1.0501400000  0.00    0.0000000    0.0000000    0.0000000
N        3.1374600000    -0.6841400000     2.0671200000  0.00    0.0000000    0.0000000    0.0000000
C        2.4983300000     1.8214400000    -0.3980300000  0.00    0.0000000    0.0000000    0.0000000
N        2.9880900000     2.7904700000    -0.0232200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3597500000    -1.8148300000    -0.7346600000  0.00    0.0000000    0.0000000    0.0000000
H        2.1784700000    -2.4846300000    -0.9957700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7541100000    -2.3108500000     0.0253000000  0.00    0.0000000    0.0000000    0.0000000
H        0.7507500000    -1.6343300000    -1.6176500000  0.00    0.0000000    0.0000000    0.0000000
20
E =     6.000000000000
C       -2.2253700000     0.3853800000     0.2502200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8334800000    -0.1624300000    -0.7590700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3420000000     0.9092900000     1.1031400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6446200000     0.5256600000     0.6263000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1202100000     1.0854300000    -0.1749300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0596200000    -0.4785900000     0.6243600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8043300000     1.0096600000     1.5821200000  0.00    0.0000000    0.0000000    0.0000000
O       -0.0468600000     0.6594900000     0.5513600000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3488000000     0.1832300000    -0.2729300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9413700000    -0.5349100000    -0.2197600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8983600000     0.6229300000    -0.8871100000  0.00    0.0000000    0.0000000    0.0000000
H        1.3474300000     0.7029400000    -1.8176400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5925800000    -0.5952200000     1.0605000000  0.00    0.0000000    0.0000000    0.0000000
N        3.1430800000    -0.6857400000     2.0633800000  0.00    0.0000000    0.0000000    0.0000000
C        2.4795700000     1.8266200000    -0.3885700000  0.00    0.0000000    0.0000000    0.0000000
N        2.9951400000     2.7871800000    -0.0277900000  0.00    0.0000000    0.0000000    0.0000000
C        1.3506600000    -1.8133000000    -0.7296300000  0.00    0.0000000    0.0000000    0.0000000
H        2.1829900000    -2.4659800000    -0.9890900000  0.00    0.0000000    0.0000000    0.0000000
H        0.7476100000    -2.3255700000     0.0216500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7465000000    -1.6360600000    -1.6165100000  0.00    0.0000000    0.0000000    0.0000000
20
E =     5.000000000000
C       -2.2018800000     0.3947300000     0.2636800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8150900000    -0.1544000000    -0.7470100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2831300000     0.9105700000     1.0970400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6340100000     0.5250100000     0.6246600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1155200000     1.0822400000    -0.1786300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0548200000    -0.4802000000     0.6194200000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8117300000     1.0065100000     1.5774400000  0.00    0.0000000    0.0000000    0.0000000
O       -0.0448300000     0.6460800000     0.5290700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3721900000     0.1642900000    -0.3029200000  0.00    0.0000000    0.0000000    0.0000000
C        1.9158400000    -0.5279200000    -0.2065500000  0.00    0.0000000    0.0000000    0.0000000
C        1.8698600000     0.6298900000    -0.8715100000  0.00    0.0000000    0.0000000    0.0000000
H        1.3377900000     0.7066000000    -1.8134500000  0.00    0.0000000    0.0000000    0.0000000
C        2.5773500000    -0.5939300000     1.0691700000  0.00    0.0000000    0.0000000    0.0000000
N        3.1492300000    -0.6868000000     2.0597200000  0.00    0.0000000    0.0000000    0.0000000
C        2.4632800000     1.8322800000    -0.3815000000  0.00    0.0000000    0.0000000    0.0000000
N        3.0026300000     2.7837500000    -0.0320200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3437700000    -1.8123300000    -0.7254600000  0.00    0.0000000    0.0000000    0.0000000
H        2.1863400000    -2.4524200000    -0.9842000000  0.00    0.0000000    0.0000000    0.0000000
H        0.7430600000    -2.3368700000     0.0190700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7440400000    -1.6370900000    -1.6160200000  0.00    0.0000000    0.0000000    0.0000000
20
E =     4.000000000000
C       -2.1871900000     0.4037500000     0.2779300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7950400000    -0.1461200000    -0.7346700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2701800000     0.9171000000     1.1047400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6342700000     0.5227500000     0.6212500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1171100000     1.0814600000    -0.1822100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0566800000    -0.4834700000     0.6167800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8161000000     1.0038700000     1.5731800000  0.00    0.0000000    0.0000000    0.0000000
O        0.0142400000     0.6272700000     0.4916300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.3930400000     0.1486700000    -0.3278500000  0.00    0.0000000    0.0000000    0.0000000
C        1.8884300000    -0.5227600000    -0.1914400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8359400000     0.6400900000    -0.8542100000  0.00    0.0000000    0.0000000    0.0000000
H        1.3336100000     0.7086400000    -1.8128800000  0.00    0.0000000    0.0000000    0.0000000
C        2.5687800000    -0.5949600000     1.0751900000  0.00    0.0000000    0.0000000    0.0000000
N        3.1542100000    -0.6872100000     2.0580300000  0.00    0.0000000    0.0000000    0.0000000
C        2.4541700000     1.8371800000    -0.3782700000  0.00    0.0000000    0.0000000    0.0000000
N        3.0085300000     2.7822300000    -0.0343200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3391400000    -1.8129400000    -0.7231500000  0.00    0.0000000    0.0000000    0.0000000
H        2.1890600000    -2.4445700000    -0.9814700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7407700000    -2.3436600000     0.0177100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7427300000    -1.6373000000    -1.6159600000  0.00    0.0000000    0.0000000    0.0000000
20
E =     3.000000000000
C       -2.1820400000     0.4097500000     0.2880100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7839500000    -0.1422000000    -0.7289600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.2980000000     0.9248600000     1.1194500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6374800000     0.5209500000     0.6186800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1188400000     1.0813900000    -0.1838000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0586100000    -0.4851400000     0.6158700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8172900000     1.0026600000     1.5711200000  0.00    0.0000000    0.0000000    0.0000000
O        0.0918500000     0.6076600000     0.4504900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.4036000000     0.1434300000    -0.3359300000  0.00    0.0000000    0.0000000    0.0000000
C        1.8688200000    -0.5222100000    -0.1795600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8105200000     0.6496300000    -0.8426300000  0.00    0.0000000    0.0000000    0.0000000
H        1.3327400000     0.7092600000    -1.8140200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5662200000    -0.5960300000     1.0779000000  0.00    0.0000000    0.0000000    0.0000000
N        3.1563800000    -0.6872400000     2.0577100000  0.00    0.0000000    0.0000000    0.0000000
C        2.4517800000     1.8398200000    -0.3775900000  0.00    0.0000000    0.0000000    0.0000000
N        3.0110400000     2.7820300000    -0.0348800000  0.00    0.0000000    0.0000000    0.0000000
C        1.3372800000    -1.8138200000    -0.7226800000  0.00    0.0000000    0.0000000    0.0000000
H        2.1904700000    -2.4418600000    -0.9805400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7403700000    -2.3458300000     0.0172900000  0.00    0.0000000    0.0000000    0.0000000
H        0.7423600000    -1.6371000000    -1.6159400000  0.00    0.0000000    0.0000000    0.0000000
20
E =     2.000000000000
C       -2.1788600000     0.4164200000     0.2995000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7735200000    -0.1400900000    -0.7263100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3294600000     0.9314300000     1.1326600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6404600000     0.5191500000     0.6160300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1204600000     1.0812900000    -0.1848700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0604000000    -0.4862800000     0.6152300000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8178000000     1.0017500000     1.5695200000  0.00    0.0000000    0.0000000    0.0000000
O        0.1695600000     0.5878600000     0.4093700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.4128800000     0.1406000000    -0.3399800000  0.00    0.0000000    0.0000000    0.0000000
C        1.8496600000    -0.5242400000    -0.1667000000  0.00    0.0000000    0.0000000    0.0000000
C        1.7856400000     0.6611600000    -0.8328600000  0.00    0.0000000    0.0000000    0.0000000
H        1.3325500000     0.7095900000    -1.8152400000  0.00    0.0000000    0.0000000    0.0000000
C        2.5649300000    -0.5969700000     1.0800600000  0.00    0.0000000    0.0000000    0.0000000
N        3.1578500000    -0.6872100000     2.0575100000  0.00    0.0000000    0.0000000    0.0000000
C        2.4508800000     1.8421100000    -0.3773600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0127100000     2.7819100000    -0.0351600000  0.00    0.0000000    0.0000000    0.0000000
C        1.3360400000    -1.8144900000    -0.7226500000  0.00    0.0000000    0.0000000    0.0000000
H        2.1915700000    -2.4400700000    -0.9799100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7403100000    -2.3470800000     0.0170800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7421500000    -1.6368600000    -1.6159100000  0.00    0.0000000    0.0000000    0.0000000
20
E =     1.000000000000
C       -2.6034300000     0.1426200000     0.1154600000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1879500000    -0.4195000000    -0.9212200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7852500000     0.6563400000     0.9480200000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0697100000     0.2362200000     0.4164700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.5485400000     0.8001500000    -0.3825300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4886500000    -0.7683500000     0.4179700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2444400000     0.7198500000     1.3713100000  0.00    0.0000000    0.0000000    0.0000000
O       -0.1793200000     0.2867000000     0.1715400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8496600000    -0.1429200000    -0.5400600000  0.00    0.0000000    0.0000000    0.0000000
C        1.4033000000    -0.8079500000    -0.3495400000  0.00    0.0000000    0.0000000    0.0000000
C        1.3336100000     0.3927900000    -1.0200400000  0.00    0.0000000    0.0000000    0.0000000
H        0.9062100000     0.4288400000    -2.0130900000  0.00    0.0000000    0.0000000    0.0000000
C        2.1376800000    -0.8789200000     0.8854900000  0.00    0.0000000    0.0000000    0.0000000
N        2.7328200000    -0.9681800000     1.8607100000  0.00    0.0000000    0.0000000    0.0000000
C        2.0241500000     1.5633700000    -0.5739800000  0.00    0.0000000    0.0000000    0.0000000
N        2.5878300000     2.5008200000    -0.2320100000  0.00    0.0000000    0.0000000    0.0000000
C        0.9085500000    -2.0961400000    -0.9193800000  0.00    0.0000000    0.0000000    0.0000000
H        1.7662400000    -2.7194900000    -1.1759900000  0.00    0.0000000    0.0000000    0.0000000
H        0.3139700000    -2.6292000000    -0.1797300000  0.00    0.0000000    0.0000000    0.0000000
H        0.3155900000    -1.9176300000    -1.8125600000  0.00    0.0000000    0.0000000    0.0000000
20
E =    86.000000000000
C       -2.1753000000     0.4308800000     0.3247300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7496800000    -0.1368500000    -0.7228200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.3883300000     0.9433100000     1.1567000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6462600000     0.5153400000     0.6102300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1239300000     1.0810600000    -0.1868800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0641900000    -0.4883700000     0.6140100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8183900000     1.0000100000     1.5664200000  0.00    0.0000000    0.0000000    0.0000000
O        0.3244900000     0.5476100000     0.3270200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.4337400000     0.1356200000    -0.3468200000  0.00    0.0000000    0.0000000    0.0000000
C        1.8096400000    -0.5296000000    -0.1390700000  0.00    0.0000000    0.0000000    0.0000000
C        1.7342800000     0.6864700000    -0.8139000000  0.00    0.0000000    0.0000000    0.0000000
H        1.3325800000     0.7101500000    -1.8176200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5631400000    -0.5988100000     1.0842400000  0.00    0.0000000    0.0000000    0.0000000
N        3.1604900000    -0.6871000000     2.0572300000  0.00    0.0000000    0.0000000    0.0000000
C        2.4501300000     1.8466900000    -0.3772800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0156500000     2.7817900000    -0.0355400000  0.00    0.0000000    0.0000000    0.0000000
C        1.3337600000    -1.8157400000    -0.7228000000  0.00    0.0000000    0.0000000    0.0000000
H        2.1936100000    -2.4368400000    -0.9787500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7403200000    -2.3492600000     0.0167800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7417400000    -1.6363500000    -1.6158900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    87.000000000000
C       -2.1751500000     0.4381000000     0.3374800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7354800000    -0.1350100000    -0.7208000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4138300000     0.9491400000     1.1682800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6491600000     0.5132900000     0.6070700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1258500000     1.0809500000    -0.1879600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0662700000    -0.4894800000     0.6133700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8186000000     0.9991100000     1.5647700000  0.00    0.0000000    0.0000000    0.0000000
O        0.4013400000     0.5270000000     0.2853900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.4461400000     0.1328100000    -0.3506100000  0.00    0.0000000    0.0000000    0.0000000
C        1.7886900000    -0.5319500000    -0.1246500000  0.00    0.0000000    0.0000000    0.0000000
C        1.7073700000     0.6996400000    -0.8039900000  0.00    0.0000000    0.0000000    0.0000000
H        1.3326900000     0.7104500000    -1.8186200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5624600000    -0.5997700000     1.0864200000  0.00    0.0000000    0.0000000    0.0000000
N        3.1618400000    -0.6870500000     2.0571900000  0.00    0.0000000    0.0000000    0.0000000
C        2.4500600000     1.8491100000    -0.3774200000  0.00    0.0000000    0.0000000    0.0000000
N        3.0171300000     2.7818300000    -0.0356700000  0.00    0.0000000    0.0000000    0.0000000
C        1.3325800000    -1.8164400000    -0.7228200000  0.00    0.0000000    0.0000000    0.0000000
H        2.1945700000    -2.4351800000    -0.9781500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7402500000    -2.3504000000     0.0166200000  0.00    0.0000000    0.0000000    0.0000000
H        0.7414900000    -1.6361200000    -1.6159000000  0.00    0.0000000    0.0000000    0.0000000
20
E =    88.000000000000
C       -2.1771000000     0.4444000000     0.3487900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7167700000    -0.1316200000    -0.7162900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4326600000     0.9553800000     1.1802500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6521500000     0.5111600000     0.6036900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1280400000     1.0808100000    -0.1892900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0686200000    -0.4908500000     0.6125700000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8188900000     0.9980000000     1.5627400000  0.00    0.0000000    0.0000000    0.0000000
O        0.4764400000     0.5049800000     0.2430900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.4624700000     0.1288100000    -0.3561700000  0.00    0.0000000    0.0000000    0.0000000
C        1.7661400000    -0.5322500000    -0.1098200000  0.00    0.0000000    0.0000000    0.0000000
C        1.6793100000     0.7126500000    -0.7934400000  0.00    0.0000000    0.0000000    0.0000000
H        1.3328800000     0.7109100000    -1.8192700000  0.00    0.0000000    0.0000000    0.0000000
C        2.5617500000    -0.6008600000     1.0889100000  0.00    0.0000000    0.0000000    0.0000000
N        3.1635200000    -0.6870300000     2.0573500000  0.00    0.0000000    0.0000000    0.0000000
C        2.4500600000     1.8519100000    -0.3778100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0190000000     2.7821500000    -0.0356800000  0.00    0.0000000    0.0000000    0.0000000
C        1.3311500000    -1.8175300000    -0.7225400000  0.00    0.0000000    0.0000000    0.0000000
H        2.1954600000    -2.4330900000    -0.9774800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7398300000    -2.3519900000     0.0163000000  0.00    0.0000000    0.0000000    0.0000000
H        0.7411300000    -1.6359300000    -1.6159300000  0.00    0.0000000    0.0000000    0.0000000
20
E =    89.000000000000
C       -2.1789900000     0.4503600000     0.3594700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6902200000    -0.1252000000    -0.7069900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4461500000     0.9620300000     1.1927600000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6552400000     0.5089200000     0.6000200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1305700000     1.0806100000    -0.1911300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0712800000    -0.4926700000     0.6114500000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8194600000     0.9964900000     1.5600100000  0.00    0.0000000    0.0000000    0.0000000
O        0.5471600000     0.4806400000     0.2025200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.4879000000     0.1219600000    -0.3657700000  0.00    0.0000000    0.0000000    0.0000000
C        1.7425900000    -0.5298900000    -0.0949500000  0.00    0.0000000    0.0000000    0.0000000
C        1.6538500000     0.7254600000    -0.7846700000  0.00    0.0000000    0.0000000    0.0000000
H        1.3331400000     0.7117300000    -1.8195100000  0.00    0.0000000    0.0000000    0.0000000
C        2.5607500000    -0.6020600000     1.0918300000  0.00    0.0000000    0.0000000    0.0000000
N        3.1659000000    -0.6870900000     2.0577700000  0.00    0.0000000    0.0000000    0.0000000
C        2.4498000000     1.8554800000    -0.3786700000  0.00    0.0000000    0.0000000    0.0000000
N        3.0217400000     2.7829100000    -0.0355500000  0.00    0.0000000    0.0000000    0.0000000
C        1.3293200000    -1.8190800000    -0.7216900000  0.00    0.0000000    0.0000000    0.0000000
H        2.1962900000    -2.4301600000    -0.9766300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7386900000    -2.3545900000     0.0156300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7405900000    -1.6358700000    -1.6159200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    90.000000000000
C       -2.1787400000     0.4576800000     0.3723400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6518700000    -0.1149500000    -0.6919400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4567700000     0.9694300000     1.2066400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6579700000     0.5062200000     0.5954100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1334800000     1.0802100000    -0.1937500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0742900000    -0.4951100000     0.6097000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8204400000     0.9943600000     1.5561600000  0.00    0.0000000    0.0000000    0.0000000
O        0.6062900000     0.4538300000     0.1716300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.5320900000     0.1098000000    -0.3825600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7210800000    -0.5258700000    -0.0812300000  0.00    0.0000000    0.0000000    0.0000000
C        1.6402400000     0.7380900000    -0.7833900000  0.00    0.0000000    0.0000000    0.0000000
H        1.3334200000     0.7132000000    -1.8202000000  0.00    0.0000000    0.0000000    0.0000000
C        2.5595400000    -0.6032600000     1.0952000000  0.00    0.0000000    0.0000000    0.0000000
N        3.1691900000    -0.6873200000     2.0583500000  0.00    0.0000000    0.0000000    0.0000000
C        2.4496200000     1.8605300000    -0.3804000000  0.00    0.0000000    0.0000000    0.0000000
N        3.0257600000     2.7844100000    -0.0351800000  0.00    0.0000000    0.0000000    0.0000000
C        1.3270800000    -1.8204900000    -0.7200400000  0.00    0.0000000    0.0000000    0.0000000
H        2.1970900000    -2.4260600000    -0.9754900000  0.00    0.0000000    0.0000000    0.0000000
H        0.7364900000    -2.3586600000     0.0144900000  0.00    0.0000000    0.0000000    0.0000000
H        0.7398400000    -1.6360300000    -1.6157500000  0.00    0.0000000    0.0000000    0.0000000
20
E =    91.000000000000
C       -2.1758400000     0.4667800000     0.3880900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6084600000    -0.1023500000    -0.6733900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4659900000     0.9788700000     1.2240000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6595400000     0.5029100000     0.5896100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1364000000     1.0793400000    -0.1973400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0772300000    -0.4981200000     0.6070100000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8220000000     0.9914100000     1.5508800000  0.00    0.0000000    0.0000000    0.0000000
O        0.6448800000     0.4297500000     0.1578000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.5957000000     0.0923100000    -0.4065900000  0.00    0.0000000    0.0000000    0.0000000
C        1.7089000000    -0.5236800000    -0.0718800000  0.00    0.0000000    0.0000000    0.0000000
C        1.6435200000     0.7482500000    -0.7909900000  0.00    0.0000000    0.0000000    0.0000000
H        1.3339500000     0.7154100000    -1.8233000000  0.00    0.0000000    0.0000000    0.0000000
C        2.5592800000    -0.6047700000     1.0985900000  0.00    0.0000000    0.0000000    0.0000000
N        3.1733600000    -0.6877400000     2.0592200000  0.00    0.0000000    0.0000000    0.0000000
C        2.4506400000     1.8673900000    -0.3831600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0312300000     2.7871700000    -0.0343400000  0.00    0.0000000    0.0000000    0.0000000
C        1.3251000000    -1.8213200000    -0.7177900000  0.00    0.0000000    0.0000000    0.0000000
H        2.1978700000    -2.4211600000    -0.9741000000  0.00    0.0000000    0.0000000    0.0000000
H        0.7333800000    -2.3640800000     0.0128500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7390400000    -1.6363600000    -1.6151800000  0.00    0.0000000    0.0000000    0.0000000
20
E =    92.000000000000
C       -2.1730700000     0.4810100000     0.4126400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5964400000    -0.0901000000    -0.6536400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4759100000     0.9950700000     1.2520500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6609200000     0.4985700000     0.5821300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1391400000     1.0765600000    -0.2042600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0798100000    -0.5031100000     0.6008400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8272900000     0.9859500000     1.5415500000  0.00    0.0000000    0.0000000    0.0000000
O        0.6773700000     0.4117400000     0.1493600000  0.00    0.0000000    0.0000000    0.0000000
H       -0.6612200000     0.0711300000    -0.4365800000  0.00    0.0000000    0.0000000    0.0000000
C        1.7112600000    -0.5269400000    -0.0668800000  0.00    0.0000000    0.0000000    0.0000000
C        1.6561900000     0.7541500000    -0.7999400000  0.00    0.0000000    0.0000000    0.0000000
H        1.3370200000     0.7194000000    -1.8305800000  0.00    0.0000000    0.0000000    0.0000000
C        2.5642900000    -0.6091900000     1.1027700000  0.00    0.0000000    0.0000000    0.0000000
N        3.1810500000    -0.6886000000     2.0620400000  0.00    0.0000000    0.0000000    0.0000000
C        2.4556900000     1.8783100000    -0.3885300000  0.00    0.0000000    0.0000000    0.0000000
N        3.0408400000     2.7931700000    -0.0327200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3237900000    -1.8227800000    -0.7144800000  0.00    0.0000000    0.0000000    0.0000000
H        2.1994300000    -2.4146900000    -0.9722500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7284800000    -2.3730000000     0.0097100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7384100000    -1.6366300000    -1.6132200000  0.00    0.0000000    0.0000000    0.0000000
20
E =    93.000000000000
C       -2.1828000000     0.4975000000     0.4416300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6577900000    -0.0830200000    -0.6380500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4827600000     1.0111500000     1.2810400000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6688300000     0.4969900000     0.5797900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1403200000     1.0708500000    -0.2149700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0800600000    -0.5094700000     0.5899400000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8450100000     0.9801900000     1.5330600000  0.00    0.0000000    0.0000000    0.0000000
O        0.6963800000     0.3951600000     0.1383400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.6641700000     0.0585500000    -0.4550000000  0.00    0.0000000    0.0000000    0.0000000
C        1.7221300000    -0.5297000000    -0.0656300000  0.00    0.0000000    0.0000000    0.0000000
C        1.6778800000     0.7555600000    -0.8103900000  0.00    0.0000000    0.0000000    0.0000000
H        1.3464400000     0.7251800000    -1.8387200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5758300000    -0.6157900000     1.1069900000  0.00    0.0000000    0.0000000    0.0000000
N        3.1932300000    -0.6904200000     2.0665400000  0.00    0.0000000    0.0000000    0.0000000
C        2.4670500000     1.8903700000    -0.3969100000  0.00    0.0000000    0.0000000    0.0000000
N        3.0538800000     2.8014600000    -0.0317200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3239000000    -1.8251600000    -0.7107300000  0.00    0.0000000    0.0000000    0.0000000
H        2.2027400000    -2.4087600000    -0.9707200000  0.00    0.0000000    0.0000000    0.0000000
H        0.7235200000    -2.3842500000     0.0050400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7387700000    -1.6363800000    -1.6095400000  0.00    0.0000000    0.0000000    0.0000000
20
E =    94.000000000000
C       -2.1920000000     0.5120200000     0.4669700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6693900000    -0.0718600000    -0.6166200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.4969900000     1.0298500000     1.3060300000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6785600000     0.4971800000     0.5818300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1394800000     1.0641800000    -0.2251600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0776800000    -0.5148500000     0.5784000000  0.00    0.0000000    0.0000000    0.0000000
H       -3.8762100000     0.9774200000     1.5318800000  0.00    0.0000000    0.0000000    0.0000000
O        0.6940800000     0.4176700000     0.1248500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.7098000000     0.0434800000    -0.4791100000  0.00    0.0000000    0.0000000    0.0000000
C        1.7521600000    -0.5458100000    -0.0734700000  0.00    0.0000000    0.0000000    0.0000000
C        1.6867100000     0.7501400000    -0.8080200000  0.00    0.0000000    0.0000000    0.0000000
H        1.3619900000     0.7290500000    -1.8436300000  0.00    0.0000000    0.0000000    0.0000000
C        2.5930600000    -0.6253300000     1.1081700000  0.00    0.0000000    0.0000000    0.0000000
N        3.2067600000    -0.6928500000     2.0709800000  0.00    0.0000000    0.0000000    0.0000000
C        2.4771000000     1.8944100000    -0.3999600000  0.00    0.0000000    0.0000000    0.0000000
N        3.0646600000     2.8057900000    -0.0352900000  0.00    0.0000000    0.0000000    0.0000000
C        1.3305700000    -1.8316900000    -0.7106500000  0.00    0.0000000    0.0000000    0.0000000
H        2.2075000000    -2.4124100000    -0.9727400000  0.00    0.0000000    0.0000000    0.0000000
H        0.7237900000    -2.3916000000     0.0010500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7417200000    -1.6348000000    -1.6054900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    95.000000000000
C       -2.2051900000     0.5243200000     0.4882200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7034800000    -0.0656200000    -0.6013100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5110300000     1.0406100000     1.3287500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.6908500000     0.5014700000     0.5888100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1374800000     1.0578600000    -0.2338200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0726500000    -0.5179700000     0.5676800000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9219600000     0.9770100000     1.5352500000  0.00    0.0000000    0.0000000    0.0000000
O        0.7164000000     0.3967900000     0.1295200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.7314900000     0.0313900000    -0.4975500000  0.00    0.0000000    0.0000000    0.0000000
C        1.7413500000    -0.5343200000    -0.0678100000  0.00    0.0000000    0.0000000    0.0000000
C        1.7095300000     0.7529900000    -0.8204600000  0.00    0.0000000    0.0000000    0.0000000
H        1.3881900000     0.7328700000    -1.8545200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5997800000    -0.6246000000     1.1078800000  0.00    0.0000000    0.0000000    0.0000000
N        3.2196100000    -0.6975000000     2.0670000000  0.00    0.0000000    0.0000000    0.0000000
C        2.4944500000     1.8955100000    -0.4047800000  0.00    0.0000000    0.0000000    0.0000000
N        3.0759700000     2.8103100000    -0.0407000000  0.00    0.0000000    0.0000000    0.0000000
C        1.3381400000    -1.8332200000    -0.7103600000  0.00    0.0000000    0.0000000    0.0000000
H        2.2130800000    -2.4185200000    -0.9765200000  0.00    0.0000000    0.0000000    0.0000000
H        0.7298900000    -2.3950200000    -0.0021100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7477300000    -1.6343700000    -1.6031900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    96.000000000000
C       -2.2247000000     0.5341800000     0.5077400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7364100000    -0.0602300000    -0.5873000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5236900000     1.0484000000     1.3426800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7108800000     0.5051800000     0.5968600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1413300000     1.0535200000    -0.2392900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0735400000    -0.5201200000     0.5608600000  0.00    0.0000000    0.0000000    0.0000000
H       -3.9740300000     0.9753400000     1.5366100000  0.00    0.0000000    0.0000000    0.0000000
O        0.7269100000     0.4100200000     0.1200400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.7639900000     0.0242100000    -0.5109100000  0.00    0.0000000    0.0000000    0.0000000
C        1.7595000000    -0.5372400000    -0.0701600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7261600000     0.7487700000    -0.8170500000  0.00    0.0000000    0.0000000    0.0000000
H        1.4153600000     0.7302300000    -1.8549600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6140400000    -0.6281000000     1.1054600000  0.00    0.0000000    0.0000000    0.0000000
N        3.2369900000    -0.7036600000     2.0622100000  0.00    0.0000000    0.0000000    0.0000000
C        2.5153000000     1.8911800000    -0.4066200000  0.00    0.0000000    0.0000000    0.0000000
N        3.0920700000     2.8126100000    -0.0499200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3472600000    -1.8327300000    -0.7105900000  0.00    0.0000000    0.0000000    0.0000000
H        2.2193800000    -2.4215600000    -0.9797500000  0.00    0.0000000    0.0000000    0.0000000
H        0.7395300000    -2.3965900000    -0.0031300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7560600000    -1.6334300000    -1.6027900000  0.00    0.0000000    0.0000000    0.0000000
20
E =    97.000000000000
C       -2.2467300000     0.5427100000     0.5253500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7660400000    -0.0544000000    -0.5727800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5416700000     1.0551600000     1.3571200000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7339400000     0.5079400000     0.6033900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1524300000     1.0499000000    -0.2430800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0824600000    -0.5219100000     0.5562300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0260700000     0.9735300000     1.5373800000  0.00    0.0000000    0.0000000    0.0000000
O        0.7369100000     0.4130900000     0.1103700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.7940800000     0.0237100000    -0.5145300000  0.00    0.0000000    0.0000000    0.0000000
C        1.7707600000    -0.5375900000    -0.0704500000  0.00    0.0000000    0.0000000    0.0000000
C        1.7461400000     0.7468600000    -0.8191000000  0.00    0.0000000    0.0000000    0.0000000
H        1.4468300000     0.7264900000    -1.8602100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6263500000    -0.6306300000     1.1046000000  0.00    0.0000000    0.0000000    0.0000000
N        3.2580300000    -0.7111600000     2.0554000000  0.00    0.0000000    0.0000000    0.0000000
C        2.5381500000     1.8882100000    -0.4090200000  0.00    0.0000000    0.0000000    0.0000000
N        3.1148300000     2.8128400000    -0.0601900000  0.00    0.0000000    0.0000000    0.0000000
C        1.3585700000    -1.8328700000    -0.7114000000  0.00    0.0000000    0.0000000    0.0000000
H        2.2291000000    -2.4231900000    -0.9828800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7514000000    -2.3970500000    -0.0038000000  0.00    0.0000000    0.0000000    0.0000000
H        0.7663500000    -1.6316400000    -1.6024100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    98.000000000000
C       -2.2708200000     0.5492800000     0.5403400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7915200000    -0.0483700000    -0.5586400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5648200000     1.0606500000     1.3715100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7593700000     0.5096200000     0.6084400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1692800000     1.0470900000    -0.2449300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0981600000    -0.5229400000     0.5540500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.0726400000     0.9714800000     1.5370200000  0.00    0.0000000    0.0000000    0.0000000
O        0.7474500000     0.4159700000     0.0991700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8202600000     0.0277100000    -0.5112400000  0.00    0.0000000    0.0000000    0.0000000
C        1.7809700000    -0.5372700000    -0.0706600000  0.00    0.0000000    0.0000000    0.0000000
C        1.7658900000     0.7450100000    -0.8221600000  0.00    0.0000000    0.0000000    0.0000000
H        1.4793900000     0.7216700000    -1.8666200000  0.00    0.0000000    0.0000000    0.0000000
C        2.6372900000    -0.6323600000     1.1039600000  0.00    0.0000000    0.0000000    0.0000000
N        3.2792700000    -0.7186900000     2.0474800000  0.00    0.0000000    0.0000000    0.0000000
C        2.5609700000     1.8846700000    -0.4120300000  0.00    0.0000000    0.0000000    0.0000000
N        3.1415400000     2.8097000000    -0.0706900000  0.00    0.0000000    0.0000000    0.0000000
C        1.3707700000    -1.8327400000    -0.7124100000  0.00    0.0000000    0.0000000    0.0000000
H        2.2411700000    -2.4227900000    -0.9853900000  0.00    0.0000000    0.0000000    0.0000000
H        0.7645700000    -2.3979300000    -0.0048800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7775900000    -1.6297500000    -1.6023100000  0.00    0.0000000    0.0000000    0.0000000
20
E =    99.000000000000
C       -2.2961400000     0.5543600000     0.5532200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8132600000    -0.0422400000    -0.5450800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.5920500000     1.0655400000     1.3859500000  0.00    0.0000000    0.0000000    0.0000000
C       -3.7859500000     0.5102700000     0.6120700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1901500000     1.0447300000    -0.2459000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1187200000    -0.5239600000     0.5531300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1146400000     0.9695400000     1.5365200000  0.00    0.0000000    0.0000000    0.0000000
O        0.7581900000     0.4195300000     0.0881100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8425000000     0.0353100000    -0.5029400000  0.00    0.0000000    0.0000000    0.0000000
C        1.7909300000    -0.5365500000    -0.0712400000  0.00    0.0000000    0.0000000    0.0000000
C        1.7852200000     0.7431900000    -0.8261800000  0.00    0.0000000    0.0000000    0.0000000
H        1.5101400000     0.7163000000    -1.8733000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6476500000    -0.6333600000     1.1031500000  0.00    0.0000000    0.0000000    0.0000000
N        3.2992200000    -0.7255600000     2.0395200000  0.00    0.0000000    0.0000000    0.0000000
C        2.5845500000     1.8802100000    -0.4161600000  0.00    0.0000000    0.0000000    0.0000000
N        3.1714200000     2.8035200000    -0.0808100000  0.00    0.0000000    0.0000000    0.0000000
C        1.3833400000    -1.8323600000    -0.7135900000  0.00    0.0000000    0.0000000    0.0000000
H        2.2548000000    -2.4205600000    -0.9877800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7789000000    -2.3995700000    -0.0063100000  0.00    0.0000000    0.0000000    0.0000000
H        0.7890600000    -1.6283100000    -1.6023900000  0.00    0.0000000    0.0000000    0.0000000
20
E =   100.000000000000
C       -2.3220500000     0.5587200000     0.5646300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8320800000    -0.0355500000    -0.5320100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6217900000     1.0705600000     1.4001700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8129900000     0.5100100000     0.6145400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2133100000     1.0424200000    -0.2466100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1419800000    -0.5253500000     0.5525900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1532000000     0.9674700000     1.5358400000  0.00    0.0000000    0.0000000    0.0000000
O        0.7690300000     0.4237100000     0.0780100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8618800000     0.0461000000    -0.4905400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8006100000    -0.5355400000    -0.0721600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8032400000     0.7413700000    -0.8308300000  0.00    0.0000000    0.0000000    0.0000000
H        1.5379400000     0.7108100000    -1.8801000000  0.00    0.0000000    0.0000000    0.0000000
C        2.6577000000    -0.6336500000     1.1020100000  0.00    0.0000000    0.0000000    0.0000000
N        3.3174200000    -0.7313700000     2.0320600000  0.00    0.0000000    0.0000000    0.0000000
C        2.6085900000     1.8747100000    -0.4214600000  0.00    0.0000000    0.0000000    0.0000000
N        3.2040800000     2.7942300000    -0.0907100000  0.00    0.0000000    0.0000000    0.0000000
C        1.3961500000    -1.8319100000    -0.7147900000  0.00    0.0000000    0.0000000    0.0000000
H        2.2695300000    -2.4168800000    -0.9903700000  0.00    0.0000000    0.0000000    0.0000000
H        0.7944000000    -2.4020800000    -0.0077700000  0.00    0.0000000    0.0000000    0.0000000
H        0.8005800000    -1.6277800000    -1.6025000000  0.00    0.0000000    0.0000000    0.0000000
20
E =   101.000000000000
C       -2.3481300000     0.5631200000     0.5753400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8498000000    -0.0278300000    -0.5193900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6523400000     1.0757700000     1.4141700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8399000000     0.5092800000     0.6164500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2372200000     1.0399800000    -0.2472800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1657000000    -0.5271100000     0.5520500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1896800000     0.9651500000     1.5351500000  0.00    0.0000000    0.0000000    0.0000000
O        0.7796300000     0.4281100000     0.0683300000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8804200000     0.0593300000    -0.4757600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8098400000    -0.5344400000    -0.0734300000  0.00    0.0000000    0.0000000    0.0000000
C        1.8202400000     0.7395500000    -0.8359500000  0.00    0.0000000    0.0000000    0.0000000
H        1.5634600000     0.7056800000    -1.8870500000  0.00    0.0000000    0.0000000    0.0000000
C        2.6671200000    -0.6332400000     1.1007000000  0.00    0.0000000    0.0000000    0.0000000
N        3.3335600000    -0.7356200000     2.0254100000  0.00    0.0000000    0.0000000    0.0000000
C        2.6327800000     1.8683200000    -0.4275100000  0.00    0.0000000    0.0000000    0.0000000
N        3.2387500000     2.7824300000    -0.1005200000  0.00    0.0000000    0.0000000    0.0000000
C        1.4092100000    -1.8317700000    -0.7159300000  0.00    0.0000000    0.0000000    0.0000000
H        2.2852400000    -2.4124000000    -0.9928500000  0.00    0.0000000    0.0000000    0.0000000
H        0.8108800000    -2.4054500000    -0.0090400000  0.00    0.0000000    0.0000000    0.0000000
H        0.8124800000    -1.6288800000    -1.6028700000  0.00    0.0000000    0.0000000    0.0000000
20
E =   102.000000000000
C       -2.3742500000     0.5678400000     0.5860500000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8669500000    -0.0188200000    -0.5067600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.6837900000     1.0808900000     1.4290800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8665500000     0.5084600000     0.6181400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2610700000     1.0375000000    -0.2479800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1887500000    -0.5290400000     0.5515100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2249500000     0.9626700000     1.5344700000  0.00    0.0000000    0.0000000    0.0000000
O        0.7904000000     0.4325500000     0.0583100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8985300000     0.0735600000    -0.4592000000  0.00    0.0000000    0.0000000    0.0000000
C        1.8188600000    -0.5334500000    -0.0754200000  0.00    0.0000000    0.0000000    0.0000000
C        1.8368700000     0.7377500000    -0.8417200000  0.00    0.0000000    0.0000000    0.0000000
H        1.5875500000     0.7010100000    -1.8944900000  0.00    0.0000000    0.0000000    0.0000000
C        2.6756400000    -0.6322800000     1.0992900000  0.00    0.0000000    0.0000000    0.0000000
N        3.3470100000    -0.7379600000     2.0199700000  0.00    0.0000000    0.0000000    0.0000000
C        2.6569600000     1.8614400000    -0.4340500000  0.00    0.0000000    0.0000000    0.0000000
N        3.2739300000     2.7692900000    -0.1100500000  0.00    0.0000000    0.0000000    0.0000000
C        1.4226000000    -1.8321600000    -0.7174200000  0.00    0.0000000    0.0000000    0.0000000
H        2.3017900000    -2.4080600000    -0.9946200000  0.00    0.0000000    0.0000000    0.0000000
H        0.8277200000    -2.4093000000    -0.0105700000  0.00    0.0000000    0.0000000    0.0000000
H        0.8255200000    -1.6318800000    -1.6045500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   103.000000000000
C       -2.4002500000     0.5731800000     0.5970000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8829500000    -0.0084000000    -0.4937100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7162300000     1.0867400000     1.4450100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.8930300000     0.5075100000     0.6195400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2849000000     1.0348100000    -0.2489100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2111500000    -0.5311900000     0.5507700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2602400000     0.9598700000     1.5335000000  0.00    0.0000000    0.0000000    0.0000000
O        0.8015900000     0.4362700000     0.0491800000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9152400000     0.0880000000    -0.4411000000  0.00    0.0000000    0.0000000    0.0000000
C        1.8281400000    -0.5328400000    -0.0781400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8527800000     0.7359100000    -0.8475200000  0.00    0.0000000    0.0000000    0.0000000
H        1.6081600000     0.6968800000    -1.9012300000  0.00    0.0000000    0.0000000    0.0000000
C        2.6839100000    -0.6311200000     1.0975600000  0.00    0.0000000    0.0000000    0.0000000
N        3.3582700000    -0.7385600000     2.0157900000  0.00    0.0000000    0.0000000    0.0000000
C        2.6809900000     1.8541700000    -0.4410200000  0.00    0.0000000    0.0000000    0.0000000
N        3.3097000000     2.7550600000    -0.1199000000  0.00    0.0000000    0.0000000    0.0000000
C        1.4365700000    -1.8330000000    -0.7197800000  0.00    0.0000000    0.0000000    0.0000000
H        2.3192600000    -2.4042300000    -0.9959300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8446200000    -2.4133000000    -0.0131700000  0.00    0.0000000    0.0000000    0.0000000
H        0.8399800000    -1.6357600000    -1.6079500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   104.000000000000
C       -2.4260300000     0.5791800000     0.6083200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8979400000     0.0037600000    -0.4803800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7494500000     1.0930200000     1.4621800000  0.00    0.0000000    0.0000000    0.0000000
C       -3.9191800000     0.5064000000     0.6206000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3084400000     1.0317700000    -0.2502500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2325100000    -0.5337100000     0.5496100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2956300000     0.9565300000     1.5320200000  0.00    0.0000000    0.0000000    0.0000000
O        0.8127800000     0.4391600000     0.0413900000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9308800000     0.1036100000    -0.4222600000  0.00    0.0000000    0.0000000    0.0000000
C        1.8376200000    -0.5326900000    -0.0811800000  0.00    0.0000000    0.0000000    0.0000000
C        1.8675000000     0.7340200000    -0.8530300000  0.00    0.0000000    0.0000000    0.0000000
H        1.6260500000     0.6932400000    -1.9074300000  0.00    0.0000000    0.0000000    0.0000000
C        2.6922900000    -0.6299800000     1.0955800000  0.00    0.0000000    0.0000000    0.0000000
N        3.3682200000    -0.7378400000     2.0126400000  0.00    0.0000000    0.0000000    0.0000000
C        2.7044100000     1.8465400000    -0.4482900000  0.00    0.0000000    0.0000000    0.0000000
N        3.3455300000     2.7398300000    -0.1302600000  0.00    0.0000000    0.0000000    0.0000000
C        1.4511200000    -1.8342700000    -0.7227800000  0.00    0.0000000    0.0000000    0.0000000
H        2.3375300000    -2.4008400000    -0.9971600000  0.00    0.0000000    0.0000000    0.0000000
H        0.8613900000    -2.4176600000    -0.0169800000  0.00    0.0000000    0.0000000    0.0000000
H        0.8556300000    -1.6400800000    -1.6123700000  0.00    0.0000000    0.0000000    0.0000000
20
E =   105.000000000000
C       -2.4515200000     0.5857600000     0.6200800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9122100000     0.0172400000    -0.4666700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7829100000     1.0996000000     1.4803000000  0.00    0.0000000    0.0000000    0.0000000
C       -3.9448800000     0.5050700000     0.6213700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3313800000     1.0282800000    -0.2520700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2526200000    -0.5366300000     0.5479100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3314300000     0.9525500000     1.5300200000  0.00    0.0000000    0.0000000    0.0000000
O        0.8236900000     0.4412500000     0.0344400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9460000000     0.1208700000    -0.4027400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8471600000    -0.5330000000    -0.0842800000  0.00    0.0000000    0.0000000    0.0000000
C        1.8813600000     0.7319500000    -0.8582100000  0.00    0.0000000    0.0000000    0.0000000
H        1.6424000000     0.6897800000    -1.9131600000  0.00    0.0000000    0.0000000    0.0000000
C        2.7007200000    -0.6289900000     1.0935500000  0.00    0.0000000    0.0000000    0.0000000
N        3.3772600000    -0.7361300000     2.0103100000  0.00    0.0000000    0.0000000    0.0000000
C        2.7270600000     1.8386500000    -0.4555600000  0.00    0.0000000    0.0000000    0.0000000
N        3.3810200000     2.7239500000    -0.1411800000  0.00    0.0000000    0.0000000    0.0000000
C        1.4659500000    -1.8358200000    -0.7262500000  0.00    0.0000000    0.0000000    0.0000000
H        2.3561900000    -2.3977000000    -0.9984800000  0.00    0.0000000    0.0000000    0.0000000
H        0.8779400000    -2.4224400000    -0.0218600000  0.00    0.0000000    0.0000000    0.0000000
H        0.8721800000    -1.6442400000    -1.6175100000  0.00    0.0000000    0.0000000    0.0000000
20
E =   106.000000000000
C       -2.4765500000     0.5927900000     0.6328000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9247600000     0.0320000000    -0.4517100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8178200000     1.1066300000     1.5006100000  0.00    0.0000000    0.0000000    0.0000000
C       -3.9698400000     0.5031000000     0.6213500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3530400000     1.0240700000    -0.2548700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2709000000    -0.5403400000     0.5450400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3676800000     0.9472200000     1.5267000000  0.00    0.0000000    0.0000000    0.0000000
O        0.8348400000     0.4428400000     0.0269000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9593800000     0.1387500000    -0.3820700000  0.00    0.0000000    0.0000000    0.0000000
C        1.8570200000    -0.5336300000    -0.0874500000  0.00    0.0000000    0.0000000    0.0000000
C        1.8954300000     0.7295900000    -0.8636600000  0.00    0.0000000    0.0000000    0.0000000
H        1.6589000000     0.6860700000    -1.9191400000  0.00    0.0000000    0.0000000    0.0000000
C        2.7090500000    -0.6280700000     1.0917400000  0.00    0.0000000    0.0000000    0.0000000
N        3.3854200000    -0.7337700000     2.0089200000  0.00    0.0000000    0.0000000    0.0000000
C        2.7493100000     1.8307200000    -0.4630200000  0.00    0.0000000    0.0000000    0.0000000
N        3.4162400000     2.7076600000    -0.1529300000  0.00    0.0000000    0.0000000    0.0000000
C        1.4799600000    -1.8372000000    -0.7298100000  0.00    0.0000000    0.0000000    0.0000000
H        2.3733100000    -2.3944100000    -1.0020700000  0.00    0.0000000    0.0000000    0.0000000
H        0.8947500000    -2.4276000000    -0.0264500000  0.00    0.0000000    0.0000000    0.0000000
H        0.8857600000    -1.6464200000    -1.6208700000  0.00    0.0000000    0.0000000    0.0000000
20
E =   107.000000000000
C       -2.5010800000     0.6004900000     0.6460900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9355900000     0.0475700000    -0.4355000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8530800000     1.1150700000     1.5216700000  0.00    0.0000000    0.0000000    0.0000000
C       -3.9941500000     0.5005500000     0.6205900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3734800000     1.0190300000    -0.2588400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2874900000    -0.5449600000     0.5408800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4045300000     0.9409100000     1.5223400000  0.00    0.0000000    0.0000000    0.0000000
O        0.8467000000     0.4449100000     0.0197500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9711500000     0.1578600000    -0.3585700000  0.00    0.0000000    0.0000000    0.0000000
C        1.8668100000    -0.5344400000    -0.0905800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9099100000     0.7267500000    -0.8694400000  0.00    0.0000000    0.0000000    0.0000000
H        1.6753800000     0.6815000000    -1.9252800000  0.00    0.0000000    0.0000000    0.0000000
C        2.7174000000    -0.6275800000     1.0898600000  0.00    0.0000000    0.0000000    0.0000000
N        3.3933600000    -0.7317100000     2.0075300000  0.00    0.0000000    0.0000000    0.0000000
C        2.7719600000     1.8224900000    -0.4712600000  0.00    0.0000000    0.0000000    0.0000000
N        3.4504700000     2.6919500000    -0.1649300000  0.00    0.0000000    0.0000000    0.0000000
C        1.4925600000    -1.8384500000    -0.7332700000  0.00    0.0000000    0.0000000    0.0000000
H        2.3883000000    -2.3908200000    -1.0082200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9117300000    -2.4331300000    -0.0300400000  0.00    0.0000000    0.0000000    0.0000000
H        0.8959800000    -1.6479900000    -1.6227700000  0.00    0.0000000    0.0000000    0.0000000
20
E =   108.000000000000
C       -2.5251300000     0.6082800000     0.6596700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9441400000     0.0633200000    -0.4178200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8897600000     1.1242800000     1.5436700000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0174900000     0.4971500000     0.6183100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3921600000     1.0130600000    -0.2646500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3022000000    -0.5505400000     0.5350400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4412400000     0.9334600000     1.5159500000  0.00    0.0000000    0.0000000    0.0000000
O        0.8600600000     0.4479300000     0.0136700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9809100000     0.1778800000    -0.3322500000  0.00    0.0000000    0.0000000    0.0000000
C        1.8769900000    -0.5352100000    -0.0936200000  0.00    0.0000000    0.0000000    0.0000000
C        1.9250400000     0.7238000000    -0.8753700000  0.00    0.0000000    0.0000000    0.0000000
H        1.6914100000     0.6766900000    -1.9313200000  0.00    0.0000000    0.0000000    0.0000000
C        2.7267100000    -0.6278800000     1.0875400000  0.00    0.0000000    0.0000000    0.0000000
N        3.4020100000    -0.7310200000     2.0058100000  0.00    0.0000000    0.0000000    0.0000000
C        2.7950700000     1.8143900000    -0.4803500000  0.00    0.0000000    0.0000000    0.0000000
N        3.4834400000     2.6773000000    -0.1777200000  0.00    0.0000000    0.0000000    0.0000000
C        1.5029600000    -1.8392100000    -0.7360700000  0.00    0.0000000    0.0000000    0.0000000
H        2.3997300000    -2.3872600000    -1.0168200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9282100000    -2.4380800000    -0.0315500000  0.00    0.0000000    0.0000000    0.0000000
H        0.9014100000    -1.6483300000    -1.6221100000  0.00    0.0000000    0.0000000    0.0000000
20
E =   109.000000000000
C       -2.5483600000     0.6154900000     0.6736300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9498000000     0.0786200000    -0.3984100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9279000000     1.1333800000     1.5671600000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0394800000     0.4925900000     0.6138500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4080300000     1.0058400000    -0.2732400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3149000000    -0.5573300000     0.5268000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4777900000     0.9247700000     1.5066000000  0.00    0.0000000    0.0000000    0.0000000
O        0.8746300000     0.4520100000     0.0095000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9882100000     0.1986400000    -0.3027400000  0.00    0.0000000    0.0000000    0.0000000
C        1.8874000000    -0.5356100000    -0.0965500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9399800000     0.7214100000    -0.8809500000  0.00    0.0000000    0.0000000    0.0000000
H        1.7055600000     0.6727200000    -1.9366500000  0.00    0.0000000    0.0000000    0.0000000
C        2.7375100000    -0.6289600000     1.0843000000  0.00    0.0000000    0.0000000    0.0000000
N        3.4125500000    -0.7321800000     2.0027500000  0.00    0.0000000    0.0000000    0.0000000
C        2.8180100000     1.8070500000    -0.4899000000  0.00    0.0000000    0.0000000    0.0000000
N        3.5153600000     2.6641500000    -0.1913500000  0.00    0.0000000    0.0000000    0.0000000
C        1.5108100000    -1.8392700000    -0.7380400000  0.00    0.0000000    0.0000000    0.0000000
H        2.4071500000    -2.3844100000    -1.0261200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9425700000    -2.4412100000    -0.0309900000  0.00    0.0000000    0.0000000    0.0000000
H        0.9029600000    -1.6476700000    -1.6196400000  0.00    0.0000000    0.0000000    0.0000000
20
E =   110.000000000000
C       -2.5702700000     0.6233900000     0.6893000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9525000000     0.0941200000    -0.3755600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9663500000     1.1445300000     1.5923600000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0595600000     0.4874700000     0.6084800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4203200000     0.9976500000    -0.2836400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3245000000    -0.5648600000     0.5170400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.5145900000     0.9152100000     1.4951400000  0.00    0.0000000    0.0000000    0.0000000
O        0.8883900000     0.4554000000     0.0060000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9931100000     0.2213600000    -0.2683200000  0.00    0.0000000    0.0000000    0.0000000
C        1.8971800000    -0.5363300000    -0.1003400000  0.00    0.0000000    0.0000000    0.0000000
C        1.9532700000     0.7193300000    -0.8865100000  0.00    0.0000000    0.0000000    0.0000000
H        1.7169500000     0.6698800000    -1.9417600000  0.00    0.0000000    0.0000000    0.0000000
C        2.7488100000    -0.6308400000     1.0794000000  0.00    0.0000000    0.0000000    0.0000000
N        3.4246200000    -0.7346600000     1.9972300000  0.00    0.0000000    0.0000000    0.0000000
C        2.8388000000     1.8002900000    -0.4993400000  0.00    0.0000000    0.0000000    0.0000000
N        3.5440900000     2.6522200000    -0.2048000000  0.00    0.0000000    0.0000000    0.0000000
C        1.5173700000    -1.8396600000    -0.7406100000  0.00    0.0000000    0.0000000    0.0000000
H        2.4128700000    -2.3835800000    -1.0335000000  0.00    0.0000000    0.0000000    0.0000000
H        0.9535000000    -2.4428100000    -0.0312500000  0.00    0.0000000    0.0000000    0.0000000
H        0.9053700000    -1.6481100000    -1.6193100000  0.00    0.0000000    0.0000000    0.0000000
20
E =   111.000000000000
C       -2.5906100000     0.6316400000     0.7049300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9529700000     0.1140100000    -0.3539800000  0.00    0.0000000    0.0000000    0.0000000
O       -2.0036300000     1.1535100000     1.6187800000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0774500000     0.4813300000     0.6021400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4301800000     0.9879400000    -0.2952300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3304200000    -0.5736600000     0.5062800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.5505300000     0.9037800000     1.4819800000  0.00    0.0000000    0.0000000    0.0000000
O        0.9008100000     0.4582400000     0.0079400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9962800000     0.2493300000    -0.2339600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9056300000    -0.5372800000    -0.1033500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9625800000     0.7180200000    -0.8896600000  0.00    0.0000000    0.0000000    0.0000000
H        1.7211500000     0.6690400000    -1.9438100000  0.00    0.0000000    0.0000000    0.0000000
C        2.7625100000    -0.6341700000     1.0724800000  0.00    0.0000000    0.0000000    0.0000000
N        3.4422000000    -0.7396400000     1.9872800000  0.00    0.0000000    0.0000000    0.0000000
C        2.8571600000     1.7937300000    -0.5082500000  0.00    0.0000000    0.0000000    0.0000000
N        3.5721500000     2.6399100000    -0.2197200000  0.00    0.0000000    0.0000000    0.0000000
C        1.5221700000    -1.8399600000    -0.7429400000  0.00    0.0000000    0.0000000    0.0000000
H        2.4169400000    -2.3833200000    -1.0393800000  0.00    0.0000000    0.0000000    0.0000000
H        0.9613900000    -2.4439100000    -0.0318700000  0.00    0.0000000    0.0000000    0.0000000
H        0.9073700000    -1.6485400000    -1.6196600000  0.00    0.0000000    0.0000000    0.0000000
20
E =   112.000000000000
C       -2.6075800000     0.6415000000     0.7175400000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9507800000     0.1420400000    -0.3385600000  0.00    0.0000000    0.0000000    0.0000000
O       -2.0373700000     1.1603500000     1.6438000000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0914000000     0.4743000000     0.5942200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4380300000     0.9772800000    -0.3074600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3301000000    -0.5838300000     0.4936000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.5822900000     0.8893300000     1.4679000000  0.00    0.0000000    0.0000000    0.0000000
O        0.9130100000     0.4589900000     0.0177500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9969500000     0.2838400000    -0.2044600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9136900000    -0.5396300000    -0.1047000000  0.00    0.0000000    0.0000000    0.0000000
C        1.9675800000     0.7168100000    -0.8892000000  0.00    0.0000000    0.0000000    0.0000000
H        1.7162500000     0.6703500000    -1.9412400000  0.00    0.0000000    0.0000000    0.0000000
C        2.7817300000    -0.6407700000     1.0627600000  0.00    0.0000000    0.0000000    0.0000000
N        3.4705100000    -0.7496200000     1.9704500000  0.00    0.0000000    0.0000000    0.0000000
C        2.8709300000     1.7877600000    -0.5150700000  0.00    0.0000000    0.0000000    0.0000000
N        3.5928800000     2.6298400000    -0.2329400000  0.00    0.0000000    0.0000000    0.0000000
C        1.5231300000    -1.8408000000    -0.7432600000  0.00    0.0000000    0.0000000    0.0000000
H        2.4154700000    -2.3845200000    -1.0468700000  0.00    0.0000000    0.0000000    0.0000000
H        0.9670800000    -2.4451400000    -0.0287400000  0.00    0.0000000    0.0000000    0.0000000
H        0.9022500000    -1.6480600000    -1.6155200000  0.00    0.0000000    0.0000000    0.0000000
20
E =   113.000000000000
C       -2.6190800000     0.6474700000     0.7288300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9448400000     0.1646400000    -0.3238600000  0.00    0.0000000    0.0000000    0.0000000
O       -2.0650000000     1.1615800000     1.6675500000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0995900000     0.4675400000     0.5846600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4385800000     0.9691600000    -0.3207500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3268200000    -0.5924100000     0.4783500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6065400000     0.8749600000     1.4526800000  0.00    0.0000000    0.0000000    0.0000000
O        0.9247400000     0.4630400000     0.0320500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9937700000     0.3109800000    -0.1764800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9191800000    -0.5401700000    -0.1048700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9690100000     0.7175400000    -0.8877900000  0.00    0.0000000    0.0000000    0.0000000
H        1.7040000000     0.6745300000    -1.9367300000  0.00    0.0000000    0.0000000    0.0000000
C        2.8024300000    -0.6472000000     1.0508600000  0.00    0.0000000    0.0000000    0.0000000
N        3.5033500000    -0.7610400000     1.9487700000  0.00    0.0000000    0.0000000    0.0000000
C        2.8842500000     1.7821300000    -0.5234500000  0.00    0.0000000    0.0000000    0.0000000
N        3.6185600000     2.6173700000    -0.2500900000  0.00    0.0000000    0.0000000    0.0000000
C        1.5155200000    -1.8390100000    -0.7402000000  0.00    0.0000000    0.0000000    0.0000000
H        2.4023200000    -2.3854700000    -1.0553800000  0.00    0.0000000    0.0000000    0.0000000
H        0.9662200000    -2.4421800000    -0.0194100000  0.00    0.0000000    0.0000000    0.0000000
H        0.8846300000    -1.6434400000    -1.6047400000  0.00    0.0000000    0.0000000    0.0000000
20
E =   114.000000000000
C       -2.6236700000     0.6528800000     0.7396300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9325200000     0.1796700000    -0.3064300000  0.00    0.0000000    0.0000000    0.0000000
O       -2.0853500000     1.1668100000     1.6877200000  0.00    0.0000000    0.0000000    0.0000000
C       -4.1011700000     0.4620100000     0.5751800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4321700000     0.9643000000    -0.3328100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3182600000    -0.5995300000     0.4614600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6234600000     0.8618000000     1.4380300000  0.00    0.0000000    0.0000000    0.0000000
O        0.9380500000     0.4686400000     0.0457200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9838300000     0.3300900000    -0.1469600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9237200000    -0.5412600000    -0.1053300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9717000000     0.7164900000    -0.8883000000  0.00    0.0000000    0.0000000    0.0000000
H        1.6924100000     0.6757500000    -1.9336400000  0.00    0.0000000    0.0000000    0.0000000
C        2.8226700000    -0.6553700000     1.0375800000  0.00    0.0000000    0.0000000    0.0000000
N        3.5358000000    -0.7747700000     1.9251300000  0.00    0.0000000    0.0000000    0.0000000
C        2.8953900000     1.7768600000    -0.5344300000  0.00    0.0000000    0.0000000    0.0000000
N        3.6278300000     2.6126100000    -0.2656600000  0.00    0.0000000    0.0000000    0.0000000
C        1.5004300000    -1.8365200000    -0.7354900000  0.00    0.0000000    0.0000000    0.0000000
H        2.3777900000    -2.3887300000    -1.0675400000  0.00    0.0000000    0.0000000    0.0000000
H        0.9597600000    -2.4368600000    -0.0057000000  0.00    0.0000000    0.0000000    0.0000000
H        0.8548900000    -1.6348600000    -1.5881600000  0.00    0.0000000    0.0000000    0.0000000
20
E =   115.000000000000
C       -2.6264600000     0.6495400000     0.7424600000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9245100000     0.1779800000    -0.2961600000  0.00    0.0000000    0.0000000    0.0000000
O       -2.0993000000     1.1663600000     1.6941800000  0.00    0.0000000    0.0000000    0.0000000
C       -4.1006800000     0.4537700000     0.5653600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4259200000     0.9581200000    -0.3434100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3132200000    -0.6076100000     0.4474000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6300200000     0.8491900000     1.4244600000  0.00    0.0000000    0.0000000    0.0000000
O        0.9448200000     0.4786600000     0.0668100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9781900000     0.3321500000    -0.1290500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9226800000    -0.5364300000    -0.1009600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9658600000     0.7230800000    -0.8811900000  0.00    0.0000000    0.0000000    0.0000000
H        1.6712500000     0.6861200000    -1.9226500000  0.00    0.0000000    0.0000000    0.0000000
C        2.8362500000    -0.6581300000     1.0295400000  0.00    0.0000000    0.0000000    0.0000000
N        3.5594600000    -0.7827500000     1.9081200000  0.00    0.0000000    0.0000000    0.0000000
C        2.9076300000     1.7734100000    -0.5409900000  0.00    0.0000000    0.0000000    0.0000000
N        3.6729200000     2.5933700000    -0.2921900000  0.00    0.0000000    0.0000000    0.0000000
C        1.4842300000    -1.8272700000    -0.7293600000  0.00    0.0000000    0.0000000    0.0000000
H        2.3539200000    -2.3835600000    -1.0738200000  0.00    0.0000000    0.0000000    0.0000000
H        0.9492700000    -2.4271200000     0.0046300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8300000000    -1.6188600000    -1.5731800000  0.00    0.0000000    0.0000000    0.0000000
20
E =   116.000000000000
C       -2.6225400000     0.6478500000     0.7473200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.9087200000     0.1854200000    -0.2875300000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1073200000     1.1613700000     1.7075700000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0943600000     0.4465100000     0.5554100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4132600000     0.9515200000    -0.3552100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3011200000    -0.6157300000     0.4329300000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6342500000     0.8374900000     1.4105300000  0.00    0.0000000    0.0000000    0.0000000
O        0.9570600000     0.4908500000     0.0824400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9643200000     0.3421700000    -0.1114700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9220700000    -0.5340600000    -0.0989300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9677800000     0.7251100000    -0.8794800000  0.00    0.0000000    0.0000000    0.0000000
H        1.6586000000     0.6914000000    -1.9165400000  0.00    0.0000000    0.0000000    0.0000000
C        2.8490100000    -0.6653400000     1.0192000000  0.00    0.0000000    0.0000000    0.0000000
N        3.5824800000    -0.7970500000     1.8880400000  0.00    0.0000000    0.0000000    0.0000000
C        2.9200400000     1.7680300000    -0.5505200000  0.00    0.0000000    0.0000000    0.0000000
N        3.6813100000     2.5863500000    -0.3043900000  0.00    0.0000000    0.0000000    0.0000000
C        1.4610400000    -1.8196200000    -0.7221000000  0.00    0.0000000    0.0000000    0.0000000
H        2.3193500000    -2.3832400000    -1.0828400000  0.00    0.0000000    0.0000000    0.0000000
H        0.9329400000    -2.4160900000     0.0196300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7942000000    -1.6029600000    -1.5540500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   117.000000000000
C       -2.6201400000     0.6466500000     0.7509100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8953000000     0.1963500000    -0.2817500000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1156400000     1.1548700000     1.7197400000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0892300000     0.4390100000     0.5448500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.4024100000     0.9457800000    -0.3667600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2894000000    -0.6238700000     0.4164600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6388200000     0.8237800000     1.3966800000  0.00    0.0000000    0.0000000    0.0000000
O        0.9684300000     0.5017800000     0.1029700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9529800000     0.3556200000    -0.0964600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9211500000    -0.5318300000    -0.0954500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9664900000     0.7282200000    -0.8744300000  0.00    0.0000000    0.0000000    0.0000000
H        1.6405900000     0.6991600000    -1.9067000000  0.00    0.0000000    0.0000000    0.0000000
C        2.8642600000    -0.6740300000     1.0080200000  0.00    0.0000000    0.0000000    0.0000000
N        3.6102500000    -0.8144700000     1.8649900000  0.00    0.0000000    0.0000000    0.0000000
C        2.9326100000     1.7626000000    -0.5584000000  0.00    0.0000000    0.0000000    0.0000000
N        3.7020900000     2.5761500000    -0.3212400000  0.00    0.0000000    0.0000000    0.0000000
C        1.4378100000    -1.8116400000    -0.7139100000  0.00    0.0000000    0.0000000    0.0000000
H        2.2847700000    -2.3834700000    -1.0886500000  0.00    0.0000000    0.0000000    0.0000000
H        0.9145900000    -2.4039700000     0.0345800000  0.00    0.0000000    0.0000000    0.0000000
H        0.7608500000    -1.5866900000    -1.5354800000  0.00    0.0000000    0.0000000    0.0000000
20
E =   118.000000000000
C       -2.6197600000     0.6464000000     0.7546100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8829700000     0.2104000000    -0.2758300000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1270800000     1.1488000000     1.7325900000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0855600000     0.4309200000     0.5335000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3933900000     0.9411400000    -0.3779700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2775700000    -0.6325300000     0.3967700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6455800000     0.8068000000     1.3825600000  0.00    0.0000000    0.0000000    0.0000000
O        0.9796200000     0.5125300000     0.1226500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9431900000     0.3730500000    -0.0806100000  0.00    0.0000000    0.0000000    0.0000000
C        1.9198900000    -0.5294700000    -0.0914900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9655500000     0.7315800000    -0.8686800000  0.00    0.0000000    0.0000000    0.0000000
H        1.6240800000     0.7075100000    -1.8960100000  0.00    0.0000000    0.0000000    0.0000000
C        2.8769800000    -0.6825400000     0.9982900000  0.00    0.0000000    0.0000000    0.0000000
N        3.6334600000    -0.8315300000     1.8444500000  0.00    0.0000000    0.0000000    0.0000000
C        2.9467500000     1.7558300000    -0.5660800000  0.00    0.0000000    0.0000000    0.0000000
N        3.7292900000     2.5605400000    -0.3409800000  0.00    0.0000000    0.0000000    0.0000000
C        1.4167100000    -1.8035700000    -0.7056500000  0.00    0.0000000    0.0000000    0.0000000
H        2.2534400000    -2.3822400000    -1.0922900000  0.00    0.0000000    0.0000000    0.0000000
H        0.8977100000    -2.3925900000     0.0483300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7316000000    -1.5710300000    -1.5181500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   119.000000000000
C       -2.6174800000     0.6453800000     0.7552000000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8695200000     0.2182400000    -0.2706400000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1358600000     1.1465600000     1.7390300000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0799500000     0.4222200000     0.5208900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3834400000     0.9363200000    -0.3898600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2643000000    -0.6414600000     0.3759800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6491300000     0.7895100000     1.3675100000  0.00    0.0000000    0.0000000    0.0000000
O        0.9900200000     0.5237300000     0.1433700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9324600000     0.3856600000    -0.0666800000  0.00    0.0000000    0.0000000    0.0000000
C        1.9177200000    -0.5264100000    -0.0862900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9639800000     0.7358300000    -0.8613600000  0.00    0.0000000    0.0000000    0.0000000
H        1.6076400000     0.7172100000    -1.8837400000  0.00    0.0000000    0.0000000    0.0000000
C        2.8885800000    -0.6909800000     0.9896000000  0.00    0.0000000    0.0000000    0.0000000
N        3.6558200000    -0.8493200000     1.8244000000  0.00    0.0000000    0.0000000    0.0000000
C        2.9594400000     1.7498100000    -0.5714300000  0.00    0.0000000    0.0000000    0.0000000
N        3.7541900000     2.5454800000    -0.3573700000  0.00    0.0000000    0.0000000    0.0000000
C        1.3942500000    -1.7943100000    -0.6964600000  0.00    0.0000000    0.0000000    0.0000000
H        2.2200600000    -2.3788600000    -1.0978800000  0.00    0.0000000    0.0000000    0.0000000
H        0.8817000000    -2.3812800000     0.0635800000  0.00    0.0000000    0.0000000    0.0000000
H        0.6987200000    -1.5533500000    -1.4978500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   120.000000000000
C       -2.6140900000     0.6414800000     0.7570200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8538000000     0.2282100000    -0.2658600000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1446600000     1.1362400000     1.7503800000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0730400000     0.4119800000     0.5069400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3707600000     0.9307400000    -0.4031000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2499900000    -0.6516900000     0.3528600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6523300000     0.7700200000     1.3507800000  0.00    0.0000000    0.0000000    0.0000000
O        0.9999500000     0.5359400000     0.1616400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9197800000     0.3998400000    -0.0512500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9148400000    -0.5223700000    -0.0817300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9628000000     0.7406900000    -0.8553200000  0.00    0.0000000    0.0000000    0.0000000
H        1.5929700000     0.7271300000    -1.8729000000  0.00    0.0000000    0.0000000    0.0000000
C        2.8975900000    -0.6979300000     0.9813100000  0.00    0.0000000    0.0000000    0.0000000
N        3.6732300000    -0.8645700000     1.8063300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9712700000     1.7449600000    -0.5771000000  0.00    0.0000000    0.0000000    0.0000000
N        3.7763100000     2.5326200000    -0.3726600000  0.00    0.0000000    0.0000000    0.0000000
C        1.3715400000    -1.7842700000    -0.6870500000  0.00    0.0000000    0.0000000    0.0000000
H        2.1864900000    -2.3755500000    -1.0998100000  0.00    0.0000000    0.0000000    0.0000000
H        0.8632600000    -2.3679300000     0.0783300000  0.00    0.0000000    0.0000000    0.0000000
H        0.6682200000    -1.5355400000    -1.4788000000  0.00    0.0000000    0.0000000    0.0000000
20
E =   121.000000000000
C       -2.6109200000     0.6426500000     0.7540300000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8395300000     0.2215000000    -0.2560300000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1527500000     1.1538300000     1.7431600000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0660400000     0.4009800000     0.4946000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3618700000     0.9209300000    -0.4153000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2334000000    -0.6633100000     0.3352200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6537500000     0.7523000000     1.3351600000  0.00    0.0000000    0.0000000    0.0000000
O        1.0087300000     0.5444100000     0.1848700000  0.00    0.0000000    0.0000000    0.0000000
H       -0.9088000000     0.4031400000    -0.0358600000  0.00    0.0000000    0.0000000    0.0000000
C        1.9126900000    -0.5192800000    -0.0768100000  0.00    0.0000000    0.0000000    0.0000000
C        1.9585400000     0.7471000000    -0.8450600000  0.00    0.0000000    0.0000000    0.0000000
H        1.5738800000     0.7414400000    -1.8575700000  0.00    0.0000000    0.0000000    0.0000000
C        2.9101900000    -0.7076600000     0.9709100000  0.00    0.0000000    0.0000000    0.0000000
N        3.6985600000    -0.8855300000     1.7824900000  0.00    0.0000000    0.0000000    0.0000000
C        2.9782900000     1.7424900000    -0.5763700000  0.00    0.0000000    0.0000000    0.0000000
N        3.7921900000     2.5230500000    -0.3799200000  0.00    0.0000000    0.0000000    0.0000000
C        1.3510700000    -1.7741800000    -0.6800300000  0.00    0.0000000    0.0000000    0.0000000
H        2.1556000000    -2.3703900000    -1.1066100000  0.00    0.0000000    0.0000000    0.0000000
H        0.8488400000    -2.3567700000     0.0902800000  0.00    0.0000000    0.0000000    0.0000000
H        0.6384700000    -1.5167000000    -1.4611500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   122.000000000000
C       -2.6148000000     0.6420800000     0.7650900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8252600000     0.2449900000    -0.2434300000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1754100000     1.1416100000     1.7711500000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0646500000     0.3888200000     0.4823800000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3522900000     0.9103100000    -0.4295000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2196100000    -0.6765500000     0.3150900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6679500000     0.7296300000     1.3172800000  0.00    0.0000000    0.0000000    0.0000000
O        1.0208600000     0.5535100000     0.1927200000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8983900000     0.4293300000    -0.0078300000  0.00    0.0000000    0.0000000    0.0000000
C        1.9136000000    -0.5169300000    -0.0778900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9622900000     0.7497900000    -0.8455100000  0.00    0.0000000    0.0000000    0.0000000
H        1.5681700000     0.7477600000    -1.8537300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9170300000    -0.7123200000     0.9610500000  0.00    0.0000000    0.0000000    0.0000000
N        3.7047800000    -0.8917200000     1.7699600000  0.00    0.0000000    0.0000000    0.0000000
C        2.9921000000     1.7374300000    -0.5863300000  0.00    0.0000000    0.0000000    0.0000000
N        3.8137400000     2.5117600000    -0.3975000000  0.00    0.0000000    0.0000000    0.0000000
C        1.3366900000    -1.7676400000    -0.6751200000  0.00    0.0000000    0.0000000    0.0000000
H        2.1329100000    -2.3728000000    -1.1022600000  0.00    0.0000000    0.0000000    0.0000000
H        0.8312400000    -2.3432100000     0.0980900000  0.00    0.0000000    0.0000000    0.0000000
H        0.6249500000    -1.5058200000    -1.4537400000  0.00    0.0000000    0.0000000    0.0000000
20
E =   123.000000000000
C       -2.6151000000     0.6361200000     0.7632700000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8223200000     0.2511300000    -0.2447600000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1792400000     1.1275600000     1.7720200000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0610300000     0.3796200000     0.4731400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3452800000     0.9002800000    -0.4400200000  0.00    0.0000000    0.0000000    0.0000000
H       -4.2106900000    -0.6855600000     0.3048700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6698200000     0.7172100000     1.3034000000  0.00    0.0000000    0.0000000    0.0000000
O        1.0281700000     0.5668400000     0.2087000000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8980500000     0.4381300000    -0.0048000000  0.00    0.0000000    0.0000000    0.0000000
C        1.9102500000    -0.5098000000    -0.0705500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9610000000     0.7559400000    -0.8393400000  0.00    0.0000000    0.0000000    0.0000000
H        1.5573400000     0.7564600000    -1.8438200000  0.00    0.0000000    0.0000000    0.0000000
C        2.9285000000    -0.7156100000     0.9539100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7414200000    -0.9149400000     1.7398400000  0.00    0.0000000    0.0000000    0.0000000
C        3.0009200000     1.7356300000    -0.5904400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8302900000     2.5035800000    -0.4094900000  0.00    0.0000000    0.0000000    0.0000000
C        1.3189200000    -1.7566200000    -0.6619700000  0.00    0.0000000    0.0000000    0.0000000
H        2.1071100000    -2.3683300000    -1.0965900000  0.00    0.0000000    0.0000000    0.0000000
H        0.8167900000    -2.3275800000     0.1172800000  0.00    0.0000000    0.0000000    0.0000000
H        0.6008300000    -1.4900500000    -1.4346400000  0.00    0.0000000    0.0000000    0.0000000
20
E =   124.000000000000
C       -2.6090400000     0.6307300000     0.7597800000  0.00    0.0000000    0.0000000    0.0000000
O       -1.8087100000     0.2585900000    -0.2483100000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1813100000     1.1145900000     1.7770100000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0533300000     0.3701200000     0.4627700000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3368600000     0.8916400000    -0.4498900000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1989100000    -0.6957000000     0.2930100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6658800000     0.7036900000     1.2924000000  0.00    0.0000000    0.0000000    0.0000000
O        1.0442100000     0.5709500000     0.2321400000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8859700000     0.4438000000     0.0004900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9166900000    -0.5103100000    -0.0715700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9588200000     0.7601400000    -0.8333100000  0.00    0.0000000    0.0000000    0.0000000
H        1.5346100000     0.7708300000    -1.8313300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9473900000    -0.7238900000     0.9384500000  0.00    0.0000000    0.0000000    0.0000000
N        3.7358600000    -0.9022400000     1.7389100000  0.00    0.0000000    0.0000000    0.0000000
C        3.0093000000     1.7319700000    -0.5961200000  0.00    0.0000000    0.0000000    0.0000000
N        3.8459800000     2.4940900000    -0.4239000000  0.00    0.0000000    0.0000000    0.0000000
C        1.2997900000    -1.7496100000    -0.6550900000  0.00    0.0000000    0.0000000    0.0000000
H        2.0736400000    -2.3714100000    -1.1044000000  0.00    0.0000000    0.0000000    0.0000000
H        0.8041400000    -2.3135800000     0.1339200000  0.00    0.0000000    0.0000000    0.0000000
H        0.5696100000    -1.4743800000    -1.4149500000  0.00    0.0000000    0.0000000    0.0000000
20
E =   125.000000000000
C       -2.6001600000     0.6257800000     0.7605200000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7912200000     0.2699900000    -0.2472900000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1812300000     1.0990900000     1.7868000000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0421000000     0.3607200000     0.4514500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3223100000     0.8841500000    -0.4614400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1825100000    -0.7055100000     0.2763100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6617000000     0.6879900000     1.2793400000  0.00    0.0000000    0.0000000    0.0000000
O        1.0400400000     0.5815400000     0.2350100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8701600000     0.4537900000     0.0103000000  0.00    0.0000000    0.0000000    0.0000000
C        1.9017600000    -0.5044400000    -0.0639700000  0.00    0.0000000    0.0000000    0.0000000
C        1.9526800000     0.7641100000    -0.8288800000  0.00    0.0000000    0.0000000    0.0000000
H        1.5270700000     0.7757000000    -1.8226000000  0.00    0.0000000    0.0000000    0.0000000
C        2.9306800000    -0.7156600000     0.9437200000  0.00    0.0000000    0.0000000    0.0000000
N        3.7625000000    -0.9147300000     1.7152900000  0.00    0.0000000    0.0000000    0.0000000
C        3.0113700000     1.7284400000    -0.6012400000  0.00    0.0000000    0.0000000    0.0000000
N        3.8573000000     2.4832200000    -0.4398100000  0.00    0.0000000    0.0000000    0.0000000
C        1.2815300000    -1.7413600000    -0.6434000000  0.00    0.0000000    0.0000000    0.0000000
H        2.0469200000    -2.3640600000    -1.1005300000  0.00    0.0000000    0.0000000    0.0000000
H        0.7915800000    -2.3069700000     0.1463900000  0.00    0.0000000    0.0000000    0.0000000
H        0.5479700000    -1.4617700000    -1.3959600000  0.00    0.0000000    0.0000000    0.0000000
20
E =   126.000000000000
C       -2.6044200000     0.6107400000     0.7637100000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7894400000     0.2716800000    -0.2440800000  0.00    0.0000000    0.0000000    0.0000000
O       -2.1915900000     1.0626900000     1.8014400000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0438800000     0.3578000000     0.4366100000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3127500000     0.9038700000    -0.4666400000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1858800000    -0.7034400000     0.2348500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6701100000     0.6681800000     1.2655100000  0.00    0.0000000    0.0000000    0.0000000
O        1.0441400000     0.5880600000     0.2469100000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8706100000     0.4529900000     0.0219900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9065900000    -0.4979300000    -0.0583900000  0.00    0.0000000    0.0000000    0.0000000
C        1.9475900000     0.7677200000    -0.8282000000  0.00    0.0000000    0.0000000    0.0000000
H        1.5142800000     0.7737600000    -1.8204200000  0.00    0.0000000    0.0000000    0.0000000
C        2.9504500000    -0.7121400000     0.9369100000  0.00    0.0000000    0.0000000    0.0000000
N        3.7747000000    -0.9096000000     1.7057700000  0.00    0.0000000    0.0000000    0.0000000
C        3.0043500000     1.7360700000    -0.6095200000  0.00    0.0000000    0.0000000    0.0000000
N        3.8470600000     2.4945600000    -0.4531000000  0.00    0.0000000    0.0000000    0.0000000
C        1.2837200000    -1.7383200000    -0.6300800000  0.00    0.0000000    0.0000000    0.0000000
H        2.0503700000    -2.3564600000    -1.0926700000  0.00    0.0000000    0.0000000    0.0000000
H        0.8044100000    -2.3057800000     0.1656800000  0.00    0.0000000    0.0000000    0.0000000
H        0.5410200000    -1.4644300000    -1.3762800000  0.00    0.0000000    0.0000000    0.0000000
20
E =   127.000000000000
C       -2.6076500000     0.5922900000     0.7656900000  0.00    0.0000000    0.0000000    0.0000000
O       -1.7876400000     0.2895200000    -0.2505300000  0.00    0.0000000    0.0000000    0.0000000
O       -2.2000800000     1.0060000000     1.8226400000  0.00    0.0000000    0.0000000    0.0000000
C       -4.0454700000     0.3520700000     0.4214600000  0.00    0.0000000    0.0000000    0.0000000
H       -4.3080100000     0.9274800000    -0.4661500000  0.00    0.0000000    0.0000000    0.0000000
H       -4.1876900000    -0.7028200000     0.1849000000  0.00    0.0000000    0.0000000    0.0000000
H       -4.6763500000     0.6366200000     1.2566800000  0.00    0.0000000    0.0000000    0.0000000
O        1.0458300000     0.5954600000     0.2479500000  0.00    0.0000000    0.0000000    0.0000000
H       -0.8700600000     0.4619900000     0.0259500000  0.00    0.0000000    0.0000000    0.0000000
C        1.9087900000    -0.4914100000    -0.0528200000  0.00    0.0000000    0.0000000    0.0000000
C        1.9473400000     0.7700300000    -0.8295500000  0.00    0.0000000    0.0000000    0.0000000
H        1.5124700000     0.7702400000    -1.8211300000  0.00    0.0000000    0.0000000    0.0000000
C        2.9537900000    -0.6997900000     0.9423600000  0.00    0.0000000    0.0000000    0.0000000
N        3.7778900000    -0.8943900000     1.7126200000  0.00    0.0000000    0.0000000    0.0000000
C        3.0031600000     1.7410200000    -0.6180700000  0.00    0.0000000    0.0000000    0.0000000
N        3.8447100000     2.5020400000    -0.4677200000  0.00    0.0000000    0.0000000    0.0000000
C        1.2860800000    -1.7355100000    -0.6167600000  0.00    0.0000000    0.0000000    0.0000000
H        2.0521000000    -2.3544900000    -1.0791300000  0.00    0.0000000    0.0000000    0.0000000
H        0.8104200000    -2.3000400000     0.1831800000  0.00    0.0000000    0.0000000    0.0000000
H        0.5403600000    -1.4663100000    -1.3615800000  0.00    0.0000000    0.0000000    0.0000000
