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