     132
 i =      651, E =      -558.9803379797
  C        14.6484328392        6.1501456223        1.5439552215
  C        15.9086334486        5.5960503589        1.2633296229
  C        16.0877066561        4.2017360180        1.1612166187
  C        14.9566315815        3.3723815197        1.2650030484
  C        13.6707912837        3.8967143350        1.4833514605
  C        13.5505102690        5.2828075547        1.6590954117
  C        13.9937601474       10.4108890683        1.8217571138
  C        15.2483896848        9.8660561312        2.1633069919
  C        15.4492959292        8.4871607558        2.1239390417
  C        14.4331702976        7.6112082463        1.6830645975
  C        13.1795253070        8.1700704593        1.3599888982
  C        12.9504971185        9.5341062522        1.4714552402
  C        18.5454048282        4.2833030239        1.5993574182
  C        19.7868532193        3.6687577383        1.6941432921
  C        19.9694389626        2.3446495296        1.2653849123
  C        18.8740206379        1.6656820258        0.6903662396
  C        17.6396272723        2.2849816202        0.5863803471
  C        17.4375607128        3.6015212577        1.0705628637
  C        11.2678484703        3.4645828373        2.1287977698
  C        12.4629596682        3.0380319785        1.5033740706
  C        12.4435133216        1.7933860779        0.8429297682
  C        11.2862862591        1.0195318957        0.7977764336
  C        10.0919676265        1.4713819388        1.3911988926
  C        10.1052824847        2.7103860740        2.0637427319
  H        16.7569644129        6.2553133112        1.0976408024
  H        15.0925482615        2.2945574619        1.2314118487
  H        12.5736514627        5.7040163060        1.8737896017
  H        12.3881183704        7.5387621131        0.9631306945
  H        11.9783473089        9.9424917302        1.1963425342
  H        16.0619356643       10.5222484231        2.4668355903
  H        16.4146635668        8.0851796493        2.4295890114
  H        18.4243416189        5.2908394340        1.9874981642
  H        20.6194381741        4.2034257215        2.1478464195
  H        23.1657170985       -5.0797619020        3.3541274144
  H        20.9523901783       -3.9748498277        3.1333006079
  H        11.2546671726        4.4004229664        2.6826791152
  H        13.3354499093        1.4408842539        0.3300146661
  H        11.2968838835        0.0636831109        0.2754314283
  H         9.1868603575        3.0567772056        2.5336007281
  C         8.8838552529        0.6606256273        1.3049072366
  H         8.9991038022       -0.3426790575        0.8652677047
  C        21.2589193824        1.7247140621        1.4351899159
  H        22.0339932761        2.3679519749        1.8765926850
  C        13.7365847747       11.8379449740        1.6897290921
  H        12.6815745801       12.1524534503        1.7335910865
  C        13.4934337477       14.6996379779        2.2638016586
  C        13.3345718009       16.0898815441        2.2862994759
  C        14.0440359927       16.8808919521        1.3442951382
  C        14.8536788698       16.2447847400        0.3890556002
  C        15.0346511900       14.8547361379        0.3863678588
  C        14.3594971144       14.0644733414        1.3546439810
  S        12.2488136350       16.8123388148        3.4838046811
  S        16.1118013769       14.1185491306       -0.8031408492
  N        14.1066614120       18.2719385865        1.5009366331
  N        14.6689583187       12.6990195986        1.4293374494
  H        13.0016242918       14.0948468296        3.0238332412
  H        12.7961206180       18.0465919843        3.4369437580
  H        15.3980286427       16.8660894641       -0.3199269724
  H        16.0072494563       12.8868216335       -0.2439497551
  C        13.9461660480       24.8299704073        1.2516585315
  C        12.7703115305       25.5784148551        1.4289074191
  C        32.3423503430       -4.8000108695        1.6987230898
  C        33.5932759078       -4.1602883518        1.7316502507
  C        34.7821607880       -4.8695941808        1.5018360064
  C        15.1790152244       25.5048110395        1.2850818751
  C        13.6375341838       20.5493819292        0.8701399038
  C        12.6433536684       21.3940220980        0.3469680906
  C        12.7459284045       22.7759324458        0.4561528732
  C        13.8659433437       23.3634322323        1.0709760537
  C        14.8832086643       22.5124485953        1.5589727800
  C        14.7682837526       21.1297648966        1.4769709240
  C        29.8688860627       -4.7021389225        2.1781398604
  C        28.6453366346       -4.0451289033        2.1060279458
  C        28.5945697231       -2.6844857615        1.7545909339
  C        29.8019893097       -1.9948585727        1.5384571257
  C        31.0186820742       -2.6619220216        1.6018139305
  C        31.0778472256       -4.0447369105        1.8685614875
  C        -0.4682813920       -4.5086426758        2.2638722723
  C        -1.5597273020       -4.1400794562        1.4514771804
  C        -1.4066347705       -3.0531502054        0.5719441128
  C        -0.1978187048       -2.3643518669        0.4988313608
  C         0.8854080177       -2.7193493704        1.3271162712
  C         0.7281463105       -3.7998785849        2.2195385038
  H        11.8132693960       25.0666569365        1.3654004877
  H        33.6619748519       -3.0984585542        1.9553418280
  H        16.1016585094       24.9617488667        1.0917775791
  H        15.7545268298       22.9442650841        2.0431605947
  H        15.5534347015       20.4863263850        1.8735051610
  H        11.7760032853       20.9569107316       -0.1384222663
  H        11.9635117239       23.4049576735        0.0307000423
  H        29.8788335507       -5.7527750139        2.4663518592
  H        27.7169853229       -4.5797363210        2.2915749334
  H        29.7717667629       -0.9380758538        1.2758934664
  H        31.9265568614       -2.1146818421        1.3594015629
  H        -0.5780344027       -5.3448020320        2.9518998710
  H        -2.2334513332       -2.7761547937       -0.0789052857
  H        -0.0823575797       -1.5422308166       -0.2068544909
  H         1.5575435992       -4.0635589336        2.8722125526
  C         2.1229766490       -1.9569892579        1.2241430231
  H         2.1432014692       -1.1896357982        0.4371417015
  C        27.3402443925       -1.9687001541        1.5630585149
  H        27.4227170813       -1.0201292594        1.0122276992
  C        13.4718671394       19.0990531451        0.7433520039
  H        12.7586777738       18.7574681988       -0.0235438453
  C        23.9694034902       -2.1900581260        1.1196081242
  C        22.7893735965       -1.4777292987        0.9076658856
  C        22.6724166966       -0.1442888826        1.3793420426
  C        23.7580462691        0.4101376097        2.0905441094
  C        24.9379555911       -0.2884899918        2.2988805923
  C        25.0625286060       -1.6121959789        1.7823787973
  S        21.3774394295       -2.1499961875        0.0878435983
  S        26.2544665468        0.5425333246        3.1718509943
  N        21.4645912784        0.4771473916        1.1354832016
  N        26.1961521842       -2.4010641074        1.9802382614
  H        24.0757447388       -3.2157311052        0.7760745608
  H        21.9400792911       -3.3614876255       -0.1051318986
  H        23.6586927360        1.3990680724        2.5318287181
  H        26.6802386640       -0.5314817744        3.8702396169
  C         4.2140921930        0.0064797395        1.4707372097
  C         5.3495772568        0.8155831278        1.4048403146
  C         6.6223072002        0.2584591338        1.7209974057
  C         6.6843638098       -1.0815454881        2.1458164150
  C         5.5436732428       -1.8828170608        2.2406255267
  C         4.2759245112       -1.3435708437        1.8720650206
  S         5.3047824792        2.5316128144        0.9579291268
  S         5.7061542861       -3.5732151049        2.7501460351
  N         7.7308661556        1.0977600250        1.7040430700
  N         3.1524554974       -2.1625837786        1.9845278837
  H         3.2361964224        0.4418325089        1.2427005374
  H         3.9558347983        2.6156449133        0.9879448396
  H         7.6558061414       -1.4857297399        2.4422271520
  H         4.3658922546       -3.7182292336        2.9118246198
