Sign In Join Free

Products Information

Ultraviolet Absorbent UV-360
Ultraviolet Absorbent UV-360 ID: API-28965
CAS:103597-45-1
Supplier:APIchem

Get a quote


SMILES:Oc1c(cc(C(CC(C)(C)C)(C)C)cc1n1nc2c(n1)cccc2)Cc1cc(C(CC(C)(C)C)(C)C)cc(n2nc3c(n2)cccc3)c1O	ChemMol.com
FORMULA: C41H50N6O2
MASS: 658.8747
EXACT MASS: 658.3995249
INTERATOMIC DISTANCES

              O   1      O   2      N   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.4641     0.0000 
   N   3    2.0000     5.2915     0.0000 
   N   4    5.2915     2.0000     6.9282     0.0000 
   N   5    5.2993     1.8352     7.1005     0.9941     0.0000 
   N   6    6.2636     2.9905     7.8464     0.9941     1.6095     0.0000 
   N   7    1.8351     5.2992     0.9940     7.1004     7.1343     8.0604 
   N   8    2.9905     6.2636     0.9941     7.8465     8.0605     8.7438 
   C   9    5.2915     4.0000     6.0000     3.4641     4.3906     3.7016 
   C  10    4.0000     5.2915     3.4641     6.0000     6.6327     6.6326 
   C  11    5.0000     6.0828     4.3589     6.5575     7.2780     7.0838 
   C  12    6.0827     5.0000     6.5574     4.3589     5.3155     4.4600 
   C  13    7.0000     5.5677     7.5498     4.5826     5.5736     4.4625 
   C  14    5.5677     7.0000     4.5826     7.5498     8.2545     8.0838 
   C  15    4.5826     3.0000     5.5678     2.6458     3.5072     3.0842 
   C  16    2.9999     4.5826     2.6457     5.5677     6.0839     6.3088 
   C  17    4.1231     5.9941     3.0880     6.8843     7.4560     7.5631 
   C  18    4.1231     4.6981     4.0576     5.1583     5.8646     5.7257 
   C  19    5.9940     4.1231     6.8842     3.0880     4.0752     3.0696 
   C  20    4.6981     4.1231     5.1583     4.0576     4.8937     4.4700 
   C  21    6.2450     7.9373     5.0001     8.5441     9.2361     9.0838 
   C  22    6.3765     7.4294     5.5372     7.7287     8.5134     8.1529 
   C  23    4.8311     6.6936     3.6523     7.5012     8.1114     8.1379 
   C  24    7.9372     6.2450     8.5440     5.0000     5.9896     4.6836 
   C  25    7.4294     6.3765     7.7286     5.5371     6.5223     5.4571 
   C  26    6.6935     4.8311     7.5012     3.6523     4.6464     3.4710 
   C  27    3.6055     2.6458     4.5826     3.0000     3.6729     3.6728 
   C  28    2.6457     3.6055     3.0000     4.5826     5.0840     5.3511 
   C  29    3.0000     1.7321     4.3589     2.6458     3.0843     3.5071 
   C  30    1.7320     3.0000     2.6457     4.3589     4.6765     5.2387 
   C  31    2.0000     2.0000     3.4641     3.4641     3.7017     4.3906 
   C  32    2.6457     5.0000     1.7320     6.2450     6.6486     7.0554 
   C  33    5.0000     2.6458     6.2450     1.7321     2.6708     2.0845 
   C  34    1.7320     4.5826     1.0000     6.0828     6.3424     6.9706 
   C  35    4.5826     1.7321     6.0827     1.0001     1.7764     1.7763 
   C  36    1.0000     3.6056     1.7320     5.1962     5.3907     6.1173 
   C  37    3.6055     1.0001     5.1961     1.7321     2.0846     2.6707 
   C  38    3.3738     6.8040     1.6095     8.5096     8.6312     9.4397 
   C  39    2.8139     6.2742     1.6095     8.0923     8.1089     9.0539 
   C  40    6.8039     3.3737     8.5095     1.6095     1.6117     0.9942 
   C  41    6.2742     2.8139     8.0922     1.6095     0.9941     1.6118 
   C  42    4.3584     7.7997     2.5962     9.5089     9.6286    10.4369 
   C  43    3.4739     6.8541     2.5962     8.7500     8.6731     9.7294 
   C  44    7.7997     4.3584     9.5088     2.5961     2.5575     1.8228 
   C  45    6.8542     3.4739     8.7500     2.5962     1.8227     2.5577 
   C  46    4.8110     8.2734     3.3000    10.0746    10.1083    11.0280 
   C  47    4.4364     7.8435     3.3000     9.7246     9.6662    10.6996 
   C  48    8.2734     4.8110    10.0745     3.3000     2.9791     2.6956 
   C  49    7.8435     4.4364     9.7246     3.3000     2.6955     2.9793 
   H  50    4.9303     5.6638     4.5429     6.0149     6.7682     6.5068 
   H  51    5.5866     6.4607     4.9779     6.7706     7.5445     7.2225 
   H  52    6.4607     5.5866     6.7706     4.9779     5.9355     5.0581 
   H  53    5.6637     4.9303     6.0148     4.5430     5.4595     4.7671 
   H  54    5.2361     4.7271     5.5419     4.5353     5.4110     4.8563 
   H  55    4.4046     4.3156     4.6678     4.4985     5.2771     4.9879 
   H  56    4.1829     3.5249     4.8241     3.6234     4.4030     4.1410 
   H  57    5.5993     3.5248     6.6375     2.4901     3.4707     2.5669 
   H  58    6.4689     4.3156     7.4471     3.0021     3.9945     2.7880 
   H  59    6.4244     4.7270     7.1761     3.6933     4.6838     3.6090 
   H  60    3.5248     4.1828     3.6233     4.8241     5.4618     5.4726 
   H  61    4.3156     4.4047     4.4984     4.6679     5.4265     5.1807 
   H  62    4.7269     5.2361     4.5352     5.5419     6.3027     6.0320 
   H  63    4.7269     6.4244     3.6932     7.1762     7.8052     7.7975 
   H  64    4.3156     6.4691     3.0021     7.4472     7.9867     8.1482 
   H  65    3.5247     5.5994     2.4900     6.6376     7.1435     7.3733 
   H  66    6.0933     4.4027     6.8813     3.4444     4.4285     3.4348 
   H  67    6.5732     4.4266     7.5378     3.0975     4.0888     2.8592 
   H  68    6.6898     8.1613     5.5456     8.6290     9.3681     9.1091 
   H  69    6.7055     8.5255     5.3371     9.1611     9.8464     9.7038 
   H  70    5.8323     7.7566     4.4739     8.5037     9.1443     9.1008 
   H  71    6.0584     6.8935     5.4023     7.1286     7.9271     7.5387 
   H  72    7.2971     5.2975     8.1211     3.9477     4.9331     3.6147 
   H  73    7.9775     6.7368     8.3316     5.7362     6.7296     5.5496 
   H  74    7.7486     6.9032     7.9013     6.1363     7.1176     6.0747 
   H  75    6.8935     6.0584     7.1286     5.4023     6.3689     5.4342 
   H  76    7.7564     5.8322     8.5036     4.4738     5.4557     4.1017 
   H  77    8.5255     6.7055     9.1610     5.3371     6.3136     4.9188 
   H  78    8.1612     6.6898     8.6289     5.5456     6.5387     5.2743 
   H  79    5.2976     7.2972     3.9477     8.1212     8.7295     8.7541 
   H  80    6.9031     7.7487     6.1362     7.9013     8.7278     8.2566 
   H  81    6.7368     7.9776     5.7363     8.3317     9.1042     8.7681 
   H  82    4.4265     6.5732     3.0975     7.5378     8.0838     8.2325 
   H  83    4.4027     6.0933     3.4444     6.8814     7.4938     7.5224 
   H  84    3.1407     3.4849     3.6200     4.2029     4.7973     4.9064 
   H  85    3.4849     3.1408     4.2029     3.6200     4.2800     4.2799 
   H  86    1.4332     2.1943     3.1022     3.8917     3.9988     4.8509 
   H  87    2.1943     1.4332     3.8917     3.1022     3.2101     4.0697 
   H  88    3.1408     5.6200     1.8397     6.8429     7.2631     7.6372 
   H  89    5.6200     3.1408     6.8428     1.8397     2.8319     1.8718 
   H  90    0.6201     2.9435     2.6200     4.8399     4.7731     5.8252 
   H  91    2.9436     0.6200     4.8399     2.6200     2.3937     3.6102 
   H  92    4.7716     8.1704     2.8922     9.8153     9.9878    10.7227 
   H  93    3.3977     6.6564     2.8922     8.5960     8.4514     9.5845 
   H  94    8.1704     4.7716     9.8152     2.8922     3.0271     1.9873 
   H  95    6.6564     3.3977     8.5960     2.8922     1.9872     3.0272 
   H  96    5.4305     8.8932     3.8842    10.6904    10.7282    11.6417 
   H  97    4.8866     8.2381     3.8842    10.1519    10.0463    11.1343 
   H  98    8.8933     5.4306    10.6904     3.8842     3.5979     3.2153 
   H  99    8.2381     4.8866    10.1519     3.8842     3.2152     3.5980 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    1.6095     0.0000 
   C   9    6.6326     6.6326     0.0000 
   C  10    4.3906     3.7016     3.4641     0.0000 
   C  11    5.3155     4.4600     3.6056     1.0000     0.0000 
   C  12    7.2780     7.0839     1.0000     3.6056     3.4641     0.0000 
   C  13    8.2544     8.0838     1.7320     4.5826     4.3589     1.0000 
   C  14    5.5736     4.4625     4.5826     1.7320     1.0000     4.3589 
   C  15    6.0839     6.3089     1.0000     3.6056     4.0000     2.0000 
   C  16    3.5071     3.0842     3.6055     1.0001     2.0000     4.0000 
   C  17    4.0752     3.0695     4.4642     1.0001     1.4143     4.5748 
   C  18    4.8936     4.4701     2.4641     1.0000     1.4142     2.6593 
   C  19    7.4558     7.5630     1.0000     4.4641     4.5747     1.4142 
   C  20    5.8646     5.7257     1.0000     2.4641     2.6593     1.4142 
   C  21    5.9896     4.6837     5.5678     2.6458     2.0000     5.2916 
   C  22    6.5223     5.4571     4.5020     2.3941     1.4142     4.0665 
   C  23    4.6464     3.4709     4.8716     1.5060     1.4143     4.8441 
   C  24    9.2360     9.0838     2.6457     5.5678     5.2915     2.0000 
   C  25    8.5134     8.1530     2.3942     4.5020     4.0664     1.4142 
   C  26    8.1114     8.1379     1.5060     4.8716     4.8440     1.4142 
   C  27    5.0840     5.3511     1.7320     3.0000     3.6055     2.6457 
   C  28    3.6728     3.6729     3.0000     1.7321     2.6458     3.6055 
   C  29    4.6765     5.2388     2.6457     3.6055     4.3589     3.6055 
   C  30    3.0842     3.5072     3.6055     2.6458     3.6055     4.3589 
   C  31    3.7016     4.3906     3.4641     3.4641     4.3589     4.3589 
   C  32    2.6707     2.0845     4.5826     1.7321     2.6458     5.0000 
   C  33    6.6486     7.0554     1.7320     4.5826     5.0000     2.6457 
   C  34    1.7763     1.7764     5.0000     2.6458     3.6056     5.5678 
   C  35    6.3424     6.9706     2.6457     5.0000     5.5677     3.6055 
   C  36    2.0845     2.6708     4.5826     3.0000     4.0000     5.2915 
   C  37    5.3906     6.1174     2.9999     4.5826     5.2915     3.9999 
   C  38    1.6117     0.9942     7.5465     4.6945     5.4499     8.0382 
   C  39    0.9941     1.6118     7.5465     5.0500     5.9075     8.1453 
   C  40    8.6311     9.4397     4.6944     7.5465     8.0382     5.4499 
   C  41    8.1088     9.0540     5.0499     7.5465     8.1452     5.9074 
   C  42    2.5576     1.8228     8.4552     5.4453     6.1086     8.8969 
   C  43    1.8228     2.5577     8.4552     6.0481     6.9071     9.0895 
   C  44    9.6285    10.4369     5.4453     8.4552     8.8969     6.1086 
   C  45    8.6731     9.7294     6.0481     8.4553     9.0895     6.9070 
   C  46    2.9792     2.6956     9.2754     6.3820     7.0799     9.7688 
   C  47    2.6956     2.9792     9.2754     6.6478     7.4378     9.8570 
   C  48   10.1083    11.0280     6.3819     9.2754     9.7688     7.0799 
   C  49    9.6661    10.6997     6.6478     9.2754     9.8570     7.4378 
   H  50    5.4595     4.7671     2.9899     1.0812     0.6199     2.8556 
   H  51    5.9355     5.0581     3.6167     1.5967     0.6199     3.3039 
   H  52    7.5444     7.2225     1.5967     3.6166     3.3038     0.6200 
   H  53    6.7682     6.5067     1.0813     2.9898     2.8556     0.6200 
   H  54    6.3027     6.0321     1.1766     2.5409     2.4932     1.0698 
   H  55    5.4264     5.1806     1.6200     1.8441     2.0978     1.9038 
   H  56    5.4618     5.4727     1.1766     2.5409     2.9489     1.9037 
   H  57    7.1434     7.3733     1.1766     4.5069     4.7489     1.9037 
   H  58    7.9865     8.1481     1.6199     5.0841     5.1815     1.9037 
   H  59    7.8051     7.7975     1.1766     4.5069     4.4802     1.0697 
   H  60    4.4029     4.1411     2.5409     1.1766     1.9038     2.9490 
   H  61    5.2770     4.9879     1.8442     1.6199     1.9037     2.0979 
   H  62    5.4109     4.8563     2.5409     1.1766     1.0698     2.4933 
   H  63    4.6837     3.6089     4.5070     1.1766     1.0698     4.4803 
   H  64    3.9945     2.7881     5.0842     1.6200     1.9038     5.1816 
   H  65    3.4706     2.5668     4.5070     1.1767     1.9039     4.7490 
   H  66    7.4937     7.5224     0.8901     4.3054     4.3461     1.0698 
   H  67    8.0838     8.2325     1.6788     5.1411     5.2189     1.9038 
   H  68    6.5387     5.2743     5.5056     2.9083     2.0940     5.1223 
   H  69    6.3136     4.9189     6.1810     3.2380     2.6200     5.8809 
   H  70    5.4557     4.1017     5.6973     2.5121     2.0940     5.5257 
   H  71    6.3689     5.4342     3.8824     2.0631     1.0698     3.4584 
   H  72    8.7294     8.7541     2.1242     5.4495     5.3674     1.9038 
   H  73    9.1041     8.7681     2.8242     5.1218     4.6776     1.9038 
   H  74    8.7277     8.2566     2.9035     4.5627     4.0016     1.9038 
   H  75    7.9270     7.5387     2.0631     3.8823     3.4584     1.0698 
   H  76    9.1442     9.1008     2.5121     5.6972     5.5256     2.0939 
   H  77    9.8464     9.7038     3.2380     6.1810     5.8809     2.6200 
   H  78    9.3680     9.1091     2.9083     5.5055     5.1222     2.0939 
   H  79    4.9332     3.6147     5.4495     2.1243     1.9039     5.3675 
   H  80    7.1175     6.0746     4.5627     2.9034     1.9037     4.0016 
   H  81    6.7296     5.5497     5.1218     2.8243     1.9038     4.6777 
   H  82    4.0888     2.8592     5.1411     1.6788     1.9038     5.2189 
   H  83    4.4284     3.4348     4.3055     0.8902     1.0698     4.3462 
   H  84    4.2799     4.2799     2.3800     1.8397     2.6009     3.0074 
   H  85    4.7972     4.9064     1.8397     2.3801     3.0074     2.6008 
   H  86    3.2100     4.0697     4.0761     3.7221     4.6694     4.9562 
   H  87    3.9988     4.8509     3.7221     4.0761     4.9563     4.6694 
   H  88    2.8319     1.8718     5.0104     1.8397     2.6008     5.3371 
   H  89    7.2630     7.6372     1.8396     5.0104     5.3371     2.6008 
   H  90    2.3937     3.6103     5.2100     4.3434     5.3371     6.0634 
   H  91    4.7731     5.8253     4.3433     5.2101     6.0634     5.3371 
   H  92    3.0271     1.9872     8.5508     5.3971     5.9765     8.9278 
   H  93    1.9872     3.0272     8.5508     6.3523     7.2494     9.2367 
   H  94    9.9878    10.7228     5.3970     8.5508     8.9278     5.9764 
   H  95    8.4513     9.5845     6.3523     8.5508     9.2367     7.2494 
   H  96    3.5979     3.2152     9.8322     6.8610     7.5146    10.2990 
   H  97    3.2152     3.5979     9.8322     7.2585     8.0553    10.4343 
   H  98   10.7282    11.6418     6.8611     9.8323    10.2990     7.5147 
   H  99   10.0463    11.1344     7.2585     9.8323    10.4343     8.0553 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.1962     0.0000 
   C  15    2.6457     5.0000     0.0000 
   C  16    5.0000     2.6458     3.4641     0.0000 
   C  17    5.5373     1.5060     4.5748     1.4143     0.0000 
   C  18    3.6524     2.3941     2.6593     1.4142     2.0000     0.0000 
   C  19    1.5060     5.5372     1.4142     4.5747     5.4642     3.4641 
   C  20    2.3941     3.6524     1.4142     2.6593     3.4642     1.4642 
   C  21    6.0828     1.0001     6.0000     3.4642     2.1298     3.3859 
   C  22    4.7754     1.0000     5.0990     3.3859     2.4495     2.7320 
   C  23    5.7617     1.0001     5.0990     2.1298     0.7320     2.4495 
   C  24    1.0000     6.0828     3.4641     6.0000     6.5110     4.6484 
   C  25    1.0000     4.7753     3.3858     5.0990     5.3786     3.6889 
   C  26    1.0000     5.7616     2.1297     5.0990     5.8646     3.8823 
   C  27    3.4641     4.5826     1.0000     2.6457     3.8983     2.1918 
   C  28    4.5826     3.4641     2.6457     1.0000     2.3942     1.5060 
   C  29    4.3589     5.2915     1.7320     2.9999     4.3814     2.9671 
   C  30    5.2915     4.3589     3.0000     1.7320     3.1197     2.5036 
   C  31    5.1961     5.1961     2.6457     2.6457     4.0576     3.0880 
   C  32    6.0000     3.0000     4.3589     1.0000     1.5060     2.3942 
   C  33    2.9999     6.0000     1.0000     4.3589     5.5372     3.6524 
   C  34    6.5574     4.0000     4.5826     1.7320     2.5036     3.1196 
   C  35    3.9999     6.5574     1.7320     4.5825     5.8873     4.1641 
   C  36    6.2450     4.5826     4.0000     2.0000     3.1623     3.1623 
   C  37    4.5825     6.2449     2.0000     3.9999     5.3785     3.8822 
   C  38    9.0373     5.4135     7.1614     4.0465     4.0526     5.4453 
   C  39    9.1326     6.0195     7.0394     4.2551     4.5703     5.6671 
   C  40    5.4134     9.0373     4.0465     7.1613     8.4553     6.6639 
   C  41    6.0194     9.1326     4.2551     7.0394     8.3960     6.7385 
   C  42    9.8968     5.9319     8.1134     4.8977     4.6944     6.2662 
   C  43   10.0703     7.0031     7.8970     5.2394     5.5647     6.6478 
   C  44    5.9319     9.8968     4.8977     8.1133     9.3826     7.5465 
   C  45    7.0031    10.0703     5.2395     7.8970     9.2755     7.6779 
   C  46   10.7681     6.9280     8.8677     5.7735     5.6670     7.1654 
   C  47   10.8482     7.4112     8.7695     5.9216     6.0481     7.3353 
   C  48    6.9280    10.7681     5.7735     8.8677    10.1772     8.3959 
   C  49    7.4112    10.8482     5.9216     8.7695    10.1280     8.4553 
   H  50    3.7689     1.5967     3.4240     1.9884     1.8413     0.9736 
   H  51    4.1190     1.0812     4.1528     2.5913     1.9934     1.7679 
   H  52    1.0813     4.1189     2.5912     4.1527     4.5370     2.7525 
   H  53    1.5967     3.7688     1.9884     3.4240     3.9556     2.0572 
   H  54    2.0631     3.4444     1.9038     2.9490     3.5192     1.5900 
   H  55    2.9035     3.0975     1.9038     2.0977     2.8442     0.8441 
   H  56    2.8242     3.9477     1.0698     2.4932     3.5192     1.5900 
   H  57    2.1242     5.7362     1.0697     4.4802     5.4992     3.5192 
   H  58    1.6788     6.1362     1.9037     5.1814     6.0841     4.0841 
   H  59    0.8901     5.4022     1.9038     4.7489     5.4992     3.5191 
   H  60    3.9477     2.8243     2.4932     1.0697     2.0940     0.6201 
   H  61    3.0976     2.9034     2.0978     1.9037     2.6200     0.6200 
   H  62    3.4445     2.0631     2.9489     1.9038     2.0940     0.6200 
   H  63    5.4024     0.8902     4.7490     1.9038     0.6200     2.0939 
   H  64    6.1363     1.6788     5.1816     1.9039     0.6200     2.6200 
   H  65    5.7363     2.1243     4.4803     1.0698     0.6201     2.0939 
   H  66    1.1766     5.2916     1.5621     4.4927     5.3032     3.3091 
   H  67    1.6200     6.1678     2.0031     5.2559     6.1410     4.1413 
   H  68    5.8450     1.1767     6.0320     3.8122     2.5718     3.5075 
   H  69    6.6487     1.6200     6.6200     4.0131     2.6356     4.0028 
   H  70    6.3724     1.1767     6.0320     3.1996     1.7962     3.3756 
   H  71    4.1963     1.1766     4.4927     3.0608     2.3661     2.2169 
   H  72    1.1766     6.2579     2.7203     5.7083     6.4368     4.4680 
   H  73    1.1766     5.3636     3.7853     5.7083     5.9973     4.3010 
   H  74    1.6200     4.6051     3.9033     5.2559     5.3721     3.8442 
   H  75    1.1766     4.1962     3.0608     4.4927     4.7602     3.0799 
   H  76    1.1766     6.3723     3.1995     6.0319     6.6687     4.7378 
   H  77    1.6200     6.6486     4.0130     6.6200     7.1184     5.2667 
   H  78    1.1766     5.8449     3.8121     6.0319     6.4097     4.6410 
   H  79    6.2579     1.1767     5.7084     2.7205     1.3063     3.0526 
   H  80    4.6051     1.6199     5.2559     3.9034     3.0526     3.0890 
   H  81    5.3637     1.1766     5.7083     3.7854     2.6778     3.2837 
   H  82    6.1679     1.6200     5.2559     2.0032     0.6829     2.6778 
   H  83    5.2916     1.1766     4.4928     1.5622     0.3663     1.8576 
   H  84    3.9755     3.5191     2.0699     1.4158     2.6816     1.2564 
   H  85    3.5191     3.9755     1.4158     2.0699     3.2844     1.5945 
   H  86    5.8077     5.4395     3.2657     2.8113     4.1858     3.4909 
   H  87    5.4395     5.8077     2.8114     3.2656     4.6772     3.6543 
   H  88    6.3328     2.7430     4.8708     1.4158     1.2563     2.6815 
   H  89    2.7430     6.3328     1.4158     4.8707     5.9866     4.0460 
   H  90    6.9386     5.9770     4.4187     3.3533     4.5759     4.3348 
   H  91    5.9770     6.9386     3.3533     4.4186     5.8309     4.7213 
   H  92    9.9246     5.7023     8.2780     4.9536     4.5710     6.2739 
   H  93   10.2034     7.4138     7.9318     5.4909     5.9462     6.8808 
   H  94    5.7023     9.9246     4.9536     8.2780     9.5015     7.6128 
   H  95    7.4137    10.2034     5.4909     7.9317     9.3294     7.8226 
   H  96   11.2989     7.2985     9.4486     6.2990     6.1008     7.6764 
   H  97   11.4224     8.0307     9.2990     6.5180     6.6672     7.9322 
   H  98    7.2985    11.2990     6.2991     9.4487    10.7451     8.9383 
   H  99    8.0307    11.4225     6.5180     9.2990    10.6694     9.0284 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    2.0000     0.0000 
   C  21    6.5110     4.6485     0.0000 
   C  22    5.3785     3.6889     1.4142     0.0000 
   C  23    5.8645     3.8823     1.4143     2.0000     0.0000 
   C  24    2.1298     3.3858     6.9283     5.5742     6.7029     0.0000 
   C  25    2.4495     2.7320     5.5743     4.1962     5.4773     1.4142 
   C  26    0.7321     2.4495     6.7029     5.4773     6.1962     1.4142 
   C  27    2.3941     1.5060     5.5678     4.8715     4.5020     4.3589 
   C  28    3.8982     2.1918     4.3590     4.0576     3.0880     5.5678 
   C  29    3.1196     2.5036     6.2450     5.6977     5.0533     5.1961 
   C  30    4.3813     2.9671     5.1962     5.0195     3.8476     6.2450 
   C  31    4.0576     3.0880     6.0828     5.7616     4.7753     6.0827 
   C  32    5.5371     3.6524     3.6056     3.8982     2.1918     7.0000 
   C  33    1.5059     2.3941     7.0000     6.0827     6.0828     3.6055 
   C  34    5.8873     4.1641     4.5826     4.8916     3.1736     7.5498 
   C  35    2.5035     3.1195     7.5498     6.7625     6.5014     4.5825 
   C  36    5.3785     3.8823     5.2915     5.3785     3.8822     7.2111 
   C  37    3.1622     3.1622     7.2111     6.5927     6.0445     5.2914 
   C  38    8.4552     6.6639     5.5597     6.4122     4.4153    10.0366 
   C  39    8.3959     6.7385     6.2905     7.0031     5.0422    10.1225 
   C  40    4.0526     5.4453    10.0366     9.1326     9.0521     5.5596 
   C  41    4.5703     5.6671    10.1225     9.3347     9.0373     6.2904 
   C  42    9.3826     7.5465     5.9212     6.9280     4.9373    10.8967 
   C  43    9.2754     7.6779     7.2375     7.9908     6.0194    11.0545 
   C  44    4.6944     6.2662    10.8967     9.9337     9.9606     5.9211 
   C  45    5.5647     6.6478    11.0546    10.3026     9.9337     7.2374 
   C  46   10.1771     8.3959     6.9188     7.9251     5.9318    11.7676 
   C  47   10.1279     8.4552     7.5187     8.4104     6.4121    11.8410 
   C  48    5.6671     7.1654    11.7676    10.8482    10.7806     6.9188 
   C  49    6.0481     7.3353    11.8410    11.0189    10.7681     7.5186 
   H  50    3.9555     2.0572     2.5913     1.7679     1.9934     4.7175 
   H  51    4.5370     2.7525     1.9884     0.9736     1.8413     5.0016 
   H  52    1.9934     1.7678     5.0015     3.7019     4.7145     1.9885 
   H  53    1.8413     0.9736     4.7175     3.5408     4.2275     2.5913 
   H  54    2.0939     0.6201     4.4173     3.3254     3.8302     3.0608 
   H  55    2.6200     0.6201     4.0975     3.2377     3.2722     3.9034 
   H  56    2.0939     0.6200     4.9470     4.1141     4.0302     3.7853 
   H  57    0.6200     2.0938     6.7273     5.6786     5.9635     2.7203 
   H  58    0.6200     2.6199     7.1035     5.9415     6.4812     2.0031 
   H  59    0.6201     2.0938     6.3480     5.1360     5.8302     1.5621 
   H  60    3.5191     1.5900     3.7854     3.2837     2.6778     4.9470 
   H  61    2.8442     0.8442     3.9034     3.0890     3.0526     4.0975 
   H  62    3.5192     1.5900     3.0608     2.2169     2.3661     4.4173 
   H  63    5.4992     3.5192     1.5622     1.8576     0.3663     6.3481 
   H  64    6.0841     4.0842     2.0032     2.6778     0.6829     7.1036 
   H  65    5.4992     3.5192     2.7205     3.0526     1.3063     6.7274 
   H  66    0.3663     1.8575     6.2541     5.0871     5.6678     1.9038 
   H  67    0.6830     2.6778     7.1309     5.9554     6.5283     1.9038 
   H  68    6.4097     4.6410     0.6200     1.0698     1.9039     6.6400 
   H  69    7.1183     5.2668     0.6200     1.9038     1.9038     7.4716 
   H  70    6.6687     4.7378     0.6201     1.9038     1.0698     7.2582 
   H  71    4.7601     3.0800     1.9038     0.6200     2.0940     5.0256 
   H  72    1.3063     3.0526     7.1773     5.9069     6.7403     1.0698 
   H  73    2.6778     3.2836     6.1365     4.7433     6.0860     1.0698 
   H  74    3.0526     3.0890     5.3293     3.9231     5.3874     1.9038 
   H  75    2.3660     2.2169     5.0256     3.6724     4.8715     1.9038 
   H  76    1.7962     3.3756     7.2581     5.9412     6.9221     0.6200 
   H  77    2.6356     4.0028     7.4716     6.0994     7.2944     0.6200 
   H  78    2.5718     3.5074     6.6400     5.2550     6.5354     0.6200 
   H  79    6.4367     4.4680     1.0698     2.0939     0.6201     7.1773 
   H  80    5.3720     3.8443     1.9037     0.6200     2.6200     5.3293 
   H  81    5.9973     4.3010     1.0697     0.6201     2.0940     6.1365 
   H  82    6.1409     4.1413     1.9039     2.6200     0.6200     7.1308 
   H  83    5.3032     3.3092     1.9038     2.0939     0.6200     6.2541 
   H  84    3.2843     1.5944     4.4727     3.9717     3.3158     4.9562 
   H  85    2.6815     1.2564     4.9563     4.3054     3.8824     4.4726 
   H  86    4.6771     3.6542     6.2748     6.0832     4.9164     6.7003 
   H  87    4.1858     3.4909     6.7004     6.3521     5.3953     6.2748 
   H  88    5.9865     4.0461     3.2070     3.7041     1.8243     7.3297 
   H  89    1.2563     2.6814     7.3297     6.3269     6.4945     3.2069 
   H  90    5.8308     4.7213     6.7056     6.7368     5.2976     7.8437 
   H  91    4.5758     4.3348     7.8438     7.4441     6.5479     6.7055 
   H  92    9.5014     7.6127     5.5960     6.6863     4.7250    10.9220 
   H  93    9.3294     7.8226     7.7055     8.3901     6.4446    11.1759 
   H  94    4.5710     6.2739    10.9220     9.8990    10.0502     5.5959 
   H  95    5.9463     6.8808    11.1759    10.4919    10.0068     7.7054 
   H  96   10.7450     8.9382     7.2157     8.2884     6.3117    12.2989 
   H  97   10.6693     9.0283     8.1300     9.0300     7.0314    12.4125 
   H  98    6.1009     7.6765    12.2990    11.3481    11.3383     7.2157 
   H  99    6.6673     7.9322    12.4126    11.6114    11.3191     8.1300 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    2.0000     0.0000 
   C  27    4.0576     3.0880     0.0000 
   C  28    4.8715     4.5020     1.7320     0.0000 
   C  29    5.0195     3.8475     1.0000     2.0000     0.0000 
   C  30    5.6977     5.0533     2.0000     1.0000     1.7320     0.0000 
   C  31    5.7616     4.7753     1.7320     1.7320     1.0000     1.0000 
   C  32    6.0828     6.0828     3.4641     1.7320     3.6055     2.0000 
   C  33    3.8982     2.1917     1.7320     3.4641     2.0000     3.6055 
   C  34    6.7625     6.5014     3.6055     2.0000     3.4641     1.7320 
   C  35    4.8916     3.1735     2.0000     3.6055     1.7320     3.4641 
   C  36    6.5927     6.0445     3.0000     1.7320     2.6457     1.0000 
   C  37    5.3784     3.8822     1.7320     2.9999     1.0000     2.6457 
   C  38    9.1326     9.0521     6.1827     4.5574     5.9634     4.2551 
   C  39    9.3347     9.0373     6.0410     4.5574     5.6655     4.0465 
   C  40    6.4121     4.4153     4.5574     6.1826     4.2551     5.9633 
   C  41    7.0031     5.0422     4.5574     6.0410     4.0465     5.6655 
   C  42    9.9337     9.9607     7.1439     5.4878     6.9550     5.2394 
   C  43   10.3026     9.9337     6.8972     5.4878     6.4377     4.8977 
   C  44    6.9280     4.9373     5.4877     7.1439     5.2394     6.9549 
   C  45    7.9908     6.0194     5.4878     6.8972     4.8978     6.4377 
   C  46   10.8482    10.7806     7.8812     6.2818     7.5972     5.9216 
   C  47   11.0189    10.7681     7.7705     6.2818     7.3657     5.7735 
   C  48    7.9251     5.9319     6.2818     7.8812     5.9216     7.5972 
   C  49    8.4104     6.4121     6.2818     7.7705     5.7735     7.3657 
   H  50    3.5409     4.2275     3.1102     2.4060     3.9317     3.4019 
   H  51    3.7020     4.7146     3.8981     3.1512     4.7287     4.1346 
   H  52    0.9737     1.8413     3.1512     3.8981     4.1346     4.7287 
   H  53    1.7679     1.9934     2.4059     3.1102     3.4019     3.9317 
   H  54    2.2168     2.3661     2.1243     2.6549     3.1229     3.5055 
   H  55    3.0891     3.0526     1.6788     1.7907     2.6112     2.6845 
   H  56    3.2836     2.6778     0.8902     1.8244     1.8848     2.4675 
   H  57    3.0525     1.3063     2.0631     3.7041     2.6488     4.0596 
   H  58    2.6778     0.6829     2.9034     4.4768     3.5256     4.9032 
   H  59    1.8575     0.3664     2.8242     4.1762     3.6354     4.7624 
   H  60    4.1141     4.0302     1.8243     0.8901     2.4674     1.8847 
   H  61    3.2377     3.2722     1.7907     1.6788     2.6845     2.6112 
   H  62    3.3254     3.8302     2.6548     2.1242     3.5054     3.1229 
   H  63    5.1361     5.8302     4.1762     2.8243     4.7624     3.6354 
   H  64    5.9416     6.4813     4.4769     2.9036     4.9033     3.5257 
   H  65    5.6787     5.9635     3.7042     2.0631     4.0596     2.6488 
   H  66    2.0939     0.6200     2.4900     3.8823     3.2936     4.4407 
   H  67    2.6200     0.6200     3.0021     4.5627     3.6341     5.0013 
   H  68    5.2550     6.5355     5.6973     4.6403     6.4446     5.5323 
   H  69    6.0994     7.2943     6.1810     4.9340     6.8428     5.7415 
   H  70    5.9413     6.9221     5.5056     4.1518     6.1022     4.9156 
   H  71    3.6724     4.8715     4.3054     3.6234     5.1622     4.6087 
   H  72    2.0939     0.6200     3.6933     5.1218     4.4191     5.6675 
   H  73    0.6200     2.0939     4.5352     5.4494     5.4699     6.2489 
   H  74    0.6200     2.6200     4.4984     5.1410     5.4810     6.0196 
   H  75    0.6200     2.0939     3.6233     4.3054     4.6087     5.1622 
   H  76    1.9038     1.0698     4.1517     5.5055     4.9155     6.1022 
   H  77    1.9038     1.9038     4.9340     6.1810     5.7414     6.8428 
   H  78    1.0698     1.9038     4.6402     5.6972     5.5322     6.4445 
   H  79    5.9069     6.7403     5.1218     3.6934     5.6675     4.4191 
   H  80    3.9231     5.3873     5.1410     4.4985     6.0196     5.4810 
   H  81    4.7433     6.0860     5.4495     4.5353     6.2489     5.4700 
   H  82    5.9554     6.5283     4.5627     3.0021     5.0012     3.6341 
   H  83    5.0871     5.6678     3.8824     2.4901     4.4408     3.2937 
   H  84    4.3054     3.8823     1.2346     0.6200     1.7732     1.4158 
   H  85    3.9717     3.3157     0.6200     1.2347     1.4157     1.7732 
   H  86    6.3521     5.3953     2.3451     2.0295     1.5967     1.0813 
   H  87    6.0832     4.9164     2.0296     2.3451     1.0813     1.5967 
   H  88    6.3270     6.4945     4.0130     2.2901     4.2100     2.6200 
   H  89    3.7041     1.8243     2.2901     4.0130     2.6200     4.2100 
   H  90    7.4441     6.5478     3.4849     2.8292     2.7431     1.8397 
   H  91    6.7368     5.2975     2.8292     3.4849     1.8397     2.7431 
   H  92    9.8990    10.0501     7.3303     5.6338     7.2210     5.4909 
   H  93   10.4920    10.0068     6.9370     5.6338     6.3969     4.9536 
   H  94    6.6863     4.7250     5.6338     7.3303     5.4909     7.2211 
   H  95    8.3901     6.4447     5.6338     6.9369     4.9536     6.3968 
   H  96   11.3480    11.3382     8.4663     6.8469     8.2026     6.5180 
   H  97   11.6114    11.3190     8.2990     6.8469     7.8531     6.2990 
   H  98    8.2884     6.3118     6.8469     8.4664     6.5180     8.2027 
   H  99    9.0301     7.0315     6.8469     8.2990     6.2991     7.8532 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    2.9999     0.0000 
   C  33    3.0000     5.1961     0.0000 
   C  34    2.6457     1.0000     5.2915     0.0000 
   C  35    2.6457     5.2914     1.0000     5.1961     0.0000 
   C  36    1.7320     1.7320     4.5826     1.0000     4.3589     0.0000 
   C  37    1.7320     4.5825     1.7320     4.3589     1.0000     3.4641 
   C  38    5.0499     3.0519     7.8537     2.5788     7.6823     3.3236 
   C  39    4.6944     3.3236     7.6300     2.5788     7.3363     3.0519 
   C  40    5.0499     7.8537     3.0519     7.6822     2.5788     6.7792 
   C  41    4.6944     7.6300     3.3236     7.3363     2.5789     6.3844 
   C  42    6.0481     3.8982     8.8292     3.5401     8.6770     4.3197 
   C  43    5.4453     4.3197     8.4277     3.5401     8.0560     3.8982 
   C  44    6.0481     8.8291     3.8982     8.6770     3.5401     7.7781 
   C  45    5.4453     8.4277     4.3198     8.0560     3.5401     7.0786 
   C  46    6.6478     4.7759     9.5270     4.2911     9.2935     4.9540 
   C  47    6.3819     4.9540     9.3435     4.2911     9.0096     4.7759 
   C  48    6.6478     9.5270     4.7760     9.2934     4.2912     8.3573 
   C  49    6.3820     9.3435     4.9540     9.0096     4.2912     8.0405 
   H  50    4.0507     2.8113     4.4225     3.6998     5.0342     3.9399 
   H  51    4.8281     3.2657     5.1440     4.2225     5.7987     4.5875 
   H  52    4.8280     5.1440     3.2656     5.7988     4.2225     5.6192 
   H  53    4.0507     4.4225     2.8113     5.0342     3.6997     4.8263 
   H  54    3.6933     3.9477     2.8243     4.5634     3.6354     4.3791 
   H  55    3.0020     3.0975     2.9035     3.6871     3.5256     3.5214 
   H  56    2.4900     3.4444     2.0631     3.8242     2.6488     3.4258 
   H  57    3.6233     5.4022     0.8901     5.6519     1.8847     5.0589 
   H  58    4.4984     6.1362     1.6788     6.4539     2.6111     5.9032 
   H  59    4.5352     5.7362     2.1242     6.1761     3.1229     5.7474 
   H  60    2.4900     2.0631     3.4444     2.6488     3.8241     2.5815 
   H  61    3.0021     2.9034     3.0976     3.5256     3.6871     3.4094 
   H  62    3.6932     2.8242     3.9477     3.6354     4.5633     3.7556 
   H  63    4.5352     2.1242     5.7363     3.1229     6.1761     3.7556 
   H  64    4.4985     1.6789     6.1363     2.6113     6.4540     3.4095 
   H  65    3.6233     0.8901     5.4023     1.8847     5.6519     2.5815 
   H  66    4.1962     5.4721     1.8243     5.8815     2.8241     5.4296 
   H  67    4.6050     6.2149     1.7907     6.5436     2.7204     6.0010 
   H  68    6.3723     4.0751     7.0274     5.0676     7.6458     5.7167 
   H  69    6.6486     4.0602     7.6200     5.0105     8.1660     5.7745 
   H  70    5.8449     3.1880     7.0275     4.1339     7.5041     4.9081 
   H  71    5.2915     3.7041     5.4721     4.6725     6.1690     5.0589 
   H  72    5.3636     6.6951     2.6548     7.1213     3.5966     6.6603 
   H  73    6.2578     6.6951     4.1761     7.3605     5.1761     7.1616 
   H  74    6.1678     6.2149     4.4768     6.9592     5.4632     6.8728 
   H  75    5.2915     5.4721     3.7041     6.1690     4.6724     6.0339 
   H  76    5.8449     7.0274     3.1879     7.5040     4.1338     7.0878 
   H  77    6.6486     7.6200     4.0600     8.1660     5.0104     7.8144 
   H  78    6.3722     7.0274     4.0750     7.6458     5.0675     7.3846 
   H  79    5.3636     2.6549     6.6952     3.5967     7.1213     4.3791 
   H  80    6.1678     4.4768     6.2148     5.4633     6.9591     5.9032 
   H  81    6.2578     4.1763     6.6951     5.1762     7.3605     5.7474 
   H  82    4.6050     1.7907     6.2148     2.7204     6.5435     3.5214 
   H  83    4.1962     1.8244     5.4722     2.8242     5.8815     3.4258 
   H  84    1.8396     2.2901     2.9435     2.6200     3.2069     2.2901 
   H  85    1.8396     2.9435     2.2900     3.2069     2.6199     2.7431 
   H  86    0.6200     2.9561     3.5889     2.4059     3.1512     1.4156 
   H  87    0.6200     3.5888     2.9561     3.1512     2.4060     2.1828 
   H  88    3.6200     0.6201     5.7415     1.4158     5.8808     2.2901 
   H  89    3.6200     5.7414     0.6200     5.8808     1.4158     5.1927 
   H  90    1.7733     3.1408     4.7206     2.2901     4.2029     1.4158 
   H  91    1.7733     4.7206     3.1408     4.2029     2.2901     3.2069 
   H  92    6.3523     3.9682     9.0403     3.7625     8.9519     4.6215 
   H  93    5.3971     4.6215     8.3966     3.7625     7.9562     3.9682 
   H  94    6.3523     9.0403     3.9682     8.9519     3.7625     8.0837 
   H  95    5.3971     8.3966     4.6216     7.9562     3.7626     6.9649 
   H  96    7.2585     5.2991    10.1232     4.8667     9.9036     5.5575 
   H  97    6.8610     5.5575     9.8421     4.8667     9.4691     5.2991 
   H  98    7.2586    10.1232     5.2992     9.9037     4.8668     8.9714 
   H  99    6.8611     9.8421     5.5576     9.4692     4.8668     8.4893 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    6.7792     0.0000 
   C  39    6.3845     1.0000     0.0000 
   C  40    3.3236    10.0780     9.6171     0.0000 
   C  41    3.0519     9.6171     9.0780     1.0000     0.0000 
   C  42    7.7781     1.0000     1.7320    11.0780    10.6134     0.0000 
   C  43    7.0786     1.7320     1.0000    10.2257     9.6171     2.0000 
   C  44    4.3197    11.0780    10.6134     1.0000     1.7320    12.0780 
   C  45    3.8982    10.2258     9.6171     1.7320     1.0000    11.2126 
   C  46    8.3573     1.7320     2.0000    11.6103    11.0780     1.0000 
   C  47    8.0404     2.0000     1.7320    11.2125    10.6134     1.7320 
   C  48    4.9540    11.6103    11.0780     1.7320     2.0000    12.6077 
   C  49    4.7760    11.2126    10.6134     2.0000     1.7320    12.2015 
   H  50    4.8263     5.7612     6.1311     7.4697     7.6127     6.4828 
   H  51    5.6192     6.0445     6.5214     8.1959     8.3741     6.6763 
   H  52    4.5874     8.1959     8.3741     6.0445     6.5214     9.0161 
   H  53    3.9399     7.4697     7.6127     5.7612     6.1311     8.3137 
   H  54    3.7556     6.9945     7.1413     5.8453     6.1405     7.8400 
   H  55    3.4094     6.1347     6.2654     5.9478     6.1009     6.9955 
   H  56    2.5815     6.3765     6.3708     5.0896     5.2244     7.2940 
   H  57    2.5815     8.2307     8.1037     3.5604     4.0084     9.1807 
   H  58    3.4094     9.0283     8.9382     3.7346     4.3625     9.9646 
   H  59    3.7556     8.7182     8.7224     4.5761     5.1457     9.6202 
   H  60    3.4257     5.0896     5.2244     6.3765     6.3707     5.9597 
   H  61    3.5214     5.9478     6.1009     6.1348     6.2654     6.7992 
   H  62    4.3790     5.8453     6.1405     6.9945     7.1412     6.6167 
   H  63    5.7474     4.5760     5.1456     8.7182     8.7225     5.1530 
   H  64    5.9032     3.7347     4.3626     9.0284     8.9383     4.2803 
   H  65    5.0589     3.5604     4.0083     8.2307     8.1037     4.2767 
   H  66    3.4257     8.4338     8.4179     4.4165     4.9355     9.3450 
   H  67    3.5214     9.1166     9.0335     3.7970     4.4414    10.0501 
   H  68    7.3846     6.1642     6.8759    10.0783    10.2247     6.5396 
   H  69    7.8143     5.7367     6.5302    10.6562    10.7371     5.9987 
   H  70    7.0878     4.9590     5.7125    10.0331    10.0577     5.3030 
   H  71    6.0339     6.4129     6.9268     8.5201     8.7364     7.0058 
   H  72    4.3790     9.6707     9.6568     4.5005     5.2208    10.5769 
   H  73    5.7473     9.7461     9.9357     6.4710     7.1328    10.5515 
   H  74    5.9031     9.2457     9.5108     7.0315     7.6151    10.0068 
   H  75    5.0588     8.5201     8.7364     6.4129     6.9267     9.3162 
   H  76    4.9080    10.0331    10.0576     4.9590     5.7124    10.9220 
   H  77    5.7744    10.6562    10.7371     5.7366     6.5301    11.5167 
   H  78    5.7166    10.0782    10.2246     6.1641     6.8758    10.9067 
   H  79    6.6604     4.5005     5.2208     9.6707     9.6569     4.9053 
   H  80    6.8728     7.0315     7.6151     9.2457     9.5108     7.5461 
   H  81    7.1616     6.4711     7.1328     9.7461     9.9358     6.9053 
   H  82    6.0010     3.7971     4.4414     9.1165     9.0334     4.3220 
   H  83    5.4296     4.4165     4.9355     8.4338     8.4179     5.0458 
   H  84    2.7430     5.1741     5.1741     5.7796     5.7224     6.0984 
   H  85    2.2900     5.7797     5.7225     5.1740     5.1741     6.7187 
   H  86    2.1828     4.6427     4.2032     5.4394     4.9902     5.6423 
   H  87    1.4156     5.4394     4.9901     4.6427     4.2032     6.4391 
   H  88    5.1927     2.8659     3.3195     8.4500     8.2425     3.6085 
   H  89    2.2901     8.4500     8.2425     2.8659     3.3195     9.4207 
   H  90    3.2069     3.9664     3.3458     6.3103     5.7352     4.9417 
   H  91    1.4158     6.3104     5.7352     3.9663     3.3457     7.2999 
   H  92    8.0836     1.4158     2.2901    11.4006    10.9780     0.6200 
   H  93    6.9649     2.2901     1.4158    10.0280     9.3736     2.6200 
   H  94    4.6215    11.4007    10.9780     1.4158     2.2901    12.3996 
   H  95    3.9682    10.0280     9.3736     2.2901     1.4158    11.0044 
   H  96    8.9713     2.2900     2.6199    12.2286    11.6979     1.4157 
   H  97    8.4892     2.6199     2.2900    11.6118    10.9780     2.2900 
   H  98    5.5576    12.2287    11.6980     2.2901     2.6200    13.2264 
   H  99    5.2992    11.6118    10.9780     2.6200     2.2901    12.5941 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44   11.2125     0.0000 
   C  45   10.0780     2.0000     0.0000 
   C  46    1.7320    12.6077    11.6103     0.0000 
   C  47    1.0000    12.2015    11.0780     1.0000     0.0000 
   C  48   11.6103     1.0000     1.7320    13.0779    12.6077     0.0000 
   C  49   11.0780     1.7320     1.0000    12.6077    12.0780     1.0000 
   H  50    7.1291     8.3137     8.5691     7.4337     7.7239     9.1975 
   H  51    7.5206     9.0161     9.3380     7.6553     8.0373     9.9178 
   H  52    9.3379     6.6764     7.5207     9.9177    10.0655     7.6554 
   H  53    8.5691     6.4828     7.1292     9.1975     9.3140     7.4337 
   H  54    8.1002     6.6168     7.1315     8.7224     8.8405     7.5454 
   H  55    7.2233     6.7993     7.0653     7.8650     7.9673     7.6765 
   H  56    7.2839     5.9597     6.1886     8.1037     8.0992     6.8207 
   H  57    8.9520     4.2767     5.0071     9.9375     9.8326     5.2244 
   H  58    9.8006     4.2803     5.3376    10.7450    10.6693     5.2706 
   H  59    9.6279     5.1531     6.1344    10.4482    10.4517     6.1405 
   H  60    6.1886     7.2939     7.2838     6.8207     6.9219     8.1037 
   H  61    7.0653     6.9955     7.2234     7.6764     7.7956     7.8651 
   H  62    7.1314     7.8399     8.1002     7.5454     7.7763     8.7224 
   H  63    6.1343     9.6203     9.6279     6.1404     6.5759    10.4482 
   H  64    5.3376     9.9646     9.8007     5.2706     5.7327    10.7450 
   H  65    5.0070     9.1807     8.9520     5.2243     5.5393     9.9375 
   H  66    9.3162     5.0459     5.9304    10.1617    10.1485     6.0225 
   H  67    9.8990     4.3219     5.4125    10.8347    10.7649     5.3150 
   H  68    7.8312    10.9068    11.1760     7.5376     8.1300    11.8032 
   H  69    7.4467    11.5167    11.6661     6.9853     7.6504    12.3873 
   H  70    6.6485    10.9220    10.9670     6.3001     6.9088    11.7647 
   H  71    7.9240     9.3162     9.7086     7.9932     8.4110    10.2335 
   H  72   10.5515     4.9053     6.1698    11.3995    11.3878     5.9053 
   H  73   10.8995     6.9052     8.1047    11.4636    11.6252     7.9052 
   H  74   10.4920     7.5461     8.6047    10.9436    11.1685     8.5436 
   H  75    9.7086     7.0058     7.9240    10.2335    10.4142     7.9932 
   H  76   10.9669     5.3030     6.6484    11.7646    11.7855     6.3001 
   H  77   11.6661     5.9987     7.4466    12.3873    12.4570     6.9853 
   H  78   11.1759     6.5396     7.8311    11.8032    11.9284     7.5376 
   H  79    6.1698    10.5769    10.5516     5.9052     6.4710    11.3996 
   H  80    8.6046    10.0068    10.4920     8.5436     9.0300    10.9436 
   H  81    8.1048    10.5515    10.8995     7.9052     8.4555    11.4636 
   H  82    5.4125    10.0501     9.8990     5.3150     5.7929    10.8347 
   H  83    5.9304     9.3450     9.3163     6.0225     6.4129    10.1617 
   H  84    6.0984     6.7186     6.6200     6.9000     6.9000     7.4979 
   H  85    6.6200     6.0984     6.0984     7.4979     7.4539     6.9000 
   H  86    4.9050     6.4391     5.6649     6.1829     5.8600     6.9750 
   H  87    5.6649     5.6423     4.9050     6.9750     6.6307     6.1829 
   H  88    4.3166     9.4207     9.0456     4.5426     4.8416    10.1308 
   H  89    9.0456     3.6085     4.3166    10.1308     9.9584     4.5426 
   H  90    3.9171     7.2999     6.2795     5.3451     4.9022     7.7349 
   H  91    6.2796     4.9416     3.9171     7.7349     7.2733     5.3450 
   H  92    2.6200    12.3996    11.6118     1.4158     2.2901    12.9641 
   H  93    0.6200    11.0044     9.7827     2.2901     1.4158    11.3550 
   H  94   11.6118     0.6201     2.6200    12.9641    12.5941     1.4158 
   H  95    9.7827     2.6200     0.6201    11.3549    10.7813     2.2901 
   H  96    2.2900    13.2263    12.2287     0.6200     1.4158    13.6979 
   H  97    1.4157    12.5940    11.4006     1.4158     0.6200    12.9640 
   H  98   12.2287     1.4158     2.2901    13.6980    13.2264     0.6201 
   H  99   11.4006     2.2901     1.4158    12.9641    12.3996     1.4158 

              C  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   C  49    0.0000 
   H  50    9.3140     0.0000 
   H  51   10.0656     0.7970     0.0000 
   H  52    8.0373     2.7302     3.0400     0.0000 
   H  53    7.7240     2.2430     2.7302     0.7970     0.0000 
   H  54    7.7764     1.8735     2.4491     1.2439     0.4752     0.0000 
   H  55    7.7957     1.5225     2.2734     2.1182     1.3473     0.8769 
   H  56    6.9219     2.3923     3.1501     2.3392     1.5616     1.2400 
   H  57    5.5394     4.1397     4.7887     2.5140     2.2093     2.3532 
   H  58    5.7327     4.5617     5.1226     2.4210     2.4024     2.6923 
   H  59    6.5760     3.8631     4.3596     1.5477     1.6334     2.0000 
   H  60    8.0991     1.5617     2.3393     3.1501     2.3923     1.9187 
   H  61    7.9674     1.3473     2.1182     2.2734     1.5225     1.0474 
   H  62    8.8405     0.4752     1.2440     2.4491     1.8735     1.4641 
   H  63   10.4518     1.6335     1.5478     4.3597     3.8632     3.4642 
   H  64   10.6694     2.4024     2.4209     5.1226     4.5617     4.1309 
   H  65    9.8326     2.2094     2.5141     4.7887     4.1397     3.6794 
   H  66    6.4129     3.7263     4.2709     1.6335     1.5478     1.8529 
   H  67    5.7929     4.5989     5.1472     2.4025     2.4210     2.7267 
   H  68   11.9285     2.6146     1.8924     4.7706     4.5810     4.3333 
   H  69   12.4571     3.2096     2.5855     5.5687     5.3151     5.0258 
   H  70   11.7856     2.7134     2.2573     5.2955     4.9288     4.5844 
   H  71   10.4143     1.2440     0.4752     3.1173     2.9242     2.7057 
   H  72    6.4710     4.7568     5.1945     2.2094     2.5141     2.9210 
   H  73    8.4554     4.1585     4.2965     1.5617     2.3393     2.8015 
   H  74    9.0301     3.5367     3.5619     1.3473     2.1182     2.5153 
   H  75    8.4110     2.9242     3.1173     0.4752     1.2439     1.6581 
   H  76    6.9088     4.9288     5.2955     2.2573     2.7133     3.1567 
   H  77    7.6504     5.3151     5.5688     2.5855     3.2096     3.6800 
   H  78    8.1300     4.5810     4.7706     1.8924     2.6146     3.0888 
   H  79   11.3879     2.5141     2.2094     5.1945     4.7569     4.3791 
   H  80   11.1685     2.1182     1.3473     3.5618     3.5367     3.4004 
   H  81   11.6253     2.3393     1.5617     4.2965     4.1585     3.9452 
   H  82   10.7649     2.4209     2.4024     5.1471     4.5989     4.1731 
   H  83   10.1486     1.5478     1.6335     4.2708     3.7263     3.3065 
   H  84    7.4539     2.2280     3.0175     3.3326     2.5378     2.0982 
   H  85    6.9000     2.5378     3.3326     3.0175     2.2280     1.8544 
   H  86    6.6307     4.4267     5.1804     5.4092     4.6243     4.2482 
   H  87    5.8601     4.6243     5.4092     5.1804     4.4268     4.1086 
   H  88    9.9584     2.8966     3.2086     5.4181     4.7386     4.2697 
   H  89    4.8416     4.7386     5.4181     3.2086     2.8966     3.0084 
   H  90    7.2733     5.2029     5.9015     6.4880     5.6948     5.2934 
   H  91    4.9022     5.6949     6.4880     5.9015     5.2029     4.9518 
   H  92   12.5941     6.3971     6.5178     9.0046     8.3309     7.8615 
   H  93   10.7814     7.4281     7.8677     9.5211     8.7402     8.2779 
   H  94    2.2901     8.3310     9.0047     6.5179     6.3972     6.5736 
   H  95    1.4158     8.7402     9.5212     7.8677     7.4281     7.3943 
   H  96   13.2263     7.8969     8.0754    10.4277     9.7199     9.2456 
   H  97   12.3996     8.3360     8.6557    10.6547     9.8980     9.4255 
   H  98    1.4158     9.7200    10.4279     8.0755     7.8970     8.0324 
   H  99    0.6200     9.8980    10.6548     8.6558     8.3360     8.3816 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    0.8768     0.0000 
   H  57    2.6923     2.0000     0.0000 
   H  58    3.2400     2.6923     0.8768     0.0000 
   H  59    2.6924     2.3532     1.2400     0.8769     0.0000 
   H  60    1.0473     1.4641     3.4641     4.1309     3.6793     0.0000 
   H  61    0.2241     1.0474     2.9109     3.4641     2.9109     0.8768 
   H  62    1.0473     1.9186     3.6793     4.1309     3.4641     1.2400 
   H  63    2.9109     3.6794     5.6031     6.1156     5.4641     2.3533 
   H  64    3.4641     4.1310     6.1156     6.7041     6.1156     2.6924 
   H  65    2.9109     3.4642     5.4641     6.1156     5.6031     2.0000 
   H  66    2.4705     2.0583     0.9593     0.8546     0.3418     3.4258 
   H  67    3.2975     2.7704     0.9855     0.1121     0.8548     4.2018 
   H  68    4.1357     5.0069     6.6793     6.9833     6.1904     3.9791 
   H  69    4.7174     5.5666     7.3430     7.7074     6.9419     4.3899 
   H  70    4.1525     4.9644     6.8315     7.2748     6.5606     3.6870 
   H  71    2.6508     3.5242     5.0589     5.3260     4.5270     2.8016 
   H  72    3.6473     3.2974     1.8059     0.9855     0.9594     4.6387 
   H  73    3.6779     3.8059     3.2974     2.7704     2.0582     4.7118 
   H  74    3.3521     3.6778     3.6472     3.2974     2.4703     4.3316 
   H  75    2.5154     2.8015     2.9209     2.7266     1.8528     3.5242 
   H  76    3.9435     3.6869     2.3292     1.5227     1.3404     4.9644 
   H  77    4.5233     4.3899     3.1930     2.3995     2.1134     5.5666 
   H  78    3.9611     3.9790     3.1850     2.5447     1.9628     5.0069 
   H  79    3.8642     4.6388     6.5564     7.0506     6.3753     3.2975 
   H  80    3.4695     4.3315     5.7308     5.9032     5.0639     3.6778 
   H  81    3.8351     4.7118     6.2984     6.5579     5.7474     3.8060 
   H  82    3.5215     4.2018     6.1818     6.7608     6.1623     2.7704 
   H  83    2.6928     3.4259     5.3767     5.9221     5.3015     2.0584 
   H  84    1.2691     1.2046     3.1137     3.8686     3.5562     0.6980 
   H  85    1.2096     0.6981     2.4696     3.2487     3.0084     1.2046 
   H  86    3.5122     3.0707     4.2369     5.1129     5.1545     2.8743 
   H  87    3.4867     2.8744     3.6873     4.5605     4.7132     3.0706 
   H  88    3.4582     3.9089     5.8947     6.5953     6.1399     2.4696 
   H  89    3.2487     2.4696     0.6980     1.2096     1.8543     3.9088 
   H  90    4.5038     4.1630     5.3887     6.2652     6.3030     3.7189 
   H  91    4.4440     3.7190     3.9973     4.8195     5.1640     4.1629 
   H  92    7.0397     7.4076     9.3379    10.0956     9.7019     6.0233 
   H  93    7.4031     7.3914     8.9709     9.8322     9.7143     6.3863 
   H  94    6.8346     6.0234     4.2206     4.0980     4.9744     7.4076 
   H  95    7.2585     6.3863     5.3663     5.7677     6.5336     7.3913 
   H  96    8.3958     8.6643    10.5182    11.3182    11.0020     7.3557 
   H  97    8.5507     8.6574    10.3573    11.2017    11.0074     7.5072 
   H  98    8.2026     7.3558     5.6921     5.6671     6.5430     8.6643 
   H  99    8.3827     7.5073     6.1557     6.3523     7.1960     8.6574 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    0.8768     0.0000 
   H  63    2.6923     2.0000     0.0000 
   H  64    3.2400     2.6924     0.8768     0.0000 
   H  65    2.6924     2.3533     1.2400     0.8769     0.0000 
   H  66    2.6928     3.3065     5.3015     5.9221     5.3768     0.0000 
   H  67    3.5216     4.1731     6.1624     6.7609     6.1819     0.8768 
   H  68    3.9611     3.0889     1.9629     2.5447     3.1851     6.1288 
   H  69    4.5233     3.6800     2.1134     2.3994     3.1931     6.8562 
   H  70    3.9435     3.1568     1.3404     1.5227     2.3293     6.4369 
   H  71    2.5154     1.6582     1.8529     2.7267     2.9211     4.4714 
   H  72    3.8642     4.3791     6.3754     7.0506     6.5564     1.2400 
   H  73    3.8351     3.9452     5.7475     6.5579     6.2984     2.3532 
   H  74    3.4696     3.4005     5.0640     5.9033     5.7309     2.6924 
   H  75    2.6508     2.7057     4.5271     5.3261     5.0590     2.0000 
   H  76    4.1525     4.5844     6.5606     7.2749     6.8316     1.6640 
   H  77    4.7174     5.0258     6.9420     7.7075     7.3431     2.4531 
   H  78    4.1357     4.3333     6.1905     6.9833     6.6794     2.2910 
   H  79    3.6473     2.9211     0.9594     0.9855     1.8060     6.2272 
   H  80    3.3520     2.5154     2.4704     3.2974     3.6473     5.0564 
   H  81    3.6778     2.8016     2.0584     2.7704     3.2975     5.7038 
   H  82    3.2974     2.7267     0.8547     0.1120     0.9855     5.9736 
   H  83    2.4704     1.8529     0.3418     0.8547     0.9594     5.1224 
   H  84    1.2096     1.8543     3.0084     3.2488     2.4697     3.2628 
   H  85    1.2692     2.0981     3.5563     3.8688     3.1138     2.6971 
   H  86    3.4867     4.1085     4.7132     4.5606     3.6873     4.8157 
   H  87    3.5123     4.2481     5.1545     5.1129     4.2369     4.3714 
   H  88    3.2487     3.0083     1.8542     1.2096     0.6980     5.8939 
   H  89    3.4583     4.2697     6.1399     6.5953     5.8947     1.6190 
   H  90    4.4440     4.9517     5.1640     4.8197     3.9973     5.9652 
   H  91    4.5039     5.2933     6.3030     6.2653     5.3888     4.8311 
   H  92    6.8345     6.5736     4.9743     4.0980     4.2205     9.4403 
   H  93    7.2585     7.3943     6.5335     5.7677     5.3662     9.3942 
   H  94    7.0398     7.8615     9.7020    10.0957     9.3379     4.9067 
   H  95    7.4031     8.2778     9.7143     9.8323     8.9709     6.3090 
   H  96    8.2025     8.0323     6.5429     5.6670     5.6919    10.7204 
   H  97    8.3826     8.3814     7.1959     6.3523     6.1555    10.7002 
   H  98    8.3960     9.2456    11.0021    11.3184    10.5183     6.4489 
   H  99    8.5508     9.4256    11.0075    11.2018    10.3574     7.0322 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    7.0012     0.0000 
   H  69    7.7326     0.8768     0.0000 
   H  70    7.3110     1.2400     0.8768     0.0000 
   H  71    5.3415     1.6640     2.4531     2.2911     0.0000 
   H  72    0.8768     6.9736     7.7573     7.4274     5.3139     0.0000 
   H  73    2.6924     5.7909     6.6462     6.5230     4.2418     2.0000 
   H  74    3.2400     4.9558     5.8194     5.7456     3.4547     2.6924 
   H  75    2.6924     4.7398     5.5680     5.3682     3.1223     2.3532 
   H  76    1.4142     7.0110     7.8212     7.5483     5.3681     0.5374 
   H  77    2.2910     7.1588     8.0021     7.8212     5.5680     1.4142 
   H  78    2.4531     6.3083     7.1588     7.0110     4.7398     1.6640 
   H  79    7.0939     1.6640     1.4142     0.5374     2.3533     7.2701 
   H  80    5.9054     1.4142     2.2910     2.4531     0.8768     5.7661 
   H  81    6.5705     0.5374     1.4142     1.6640     1.2400     6.5049 
   H  82    6.8162     2.4531     2.2911     1.4143     2.6924     7.0939 
   H  83    5.9736     2.2911     2.4531     1.6640     2.0000     6.2272 
   H  84    3.9526     4.6767     5.0728     4.3483     3.4720     4.5020 
   H  85    3.3372     5.1013     5.5678     4.8863     3.7563     3.9348 
   H  86    5.2201     6.6134     6.8150     5.9816     5.6519     5.9830 
   H  87    4.6708     6.9832     7.2679     6.4649     5.8679     5.4774 
   H  88    6.6685     3.7270     3.6055     2.7290     3.6074     7.0984 
   H  89    1.3156     7.3105     7.9481     7.4010     5.7088     2.1917 
   H  90    6.3727     7.1217     7.1902     6.3230     6.3766     7.1368 
   H  91    4.9314     8.1116     8.4158     7.6173     6.9371     5.7929 
   H  92   10.1767     6.2159     5.6191     4.9760     6.8159    10.6612 
   H  93    9.9337     8.2889     7.9444     7.1282     8.2864    10.6204 
   H  94    4.1246    10.8968    11.5406    10.9823     9.2792     4.6201 
   H  95    5.8491    11.3300    11.7812    11.0546     9.9093     6.6357 
   H  96   11.4065     7.8356     7.2337     6.5957     8.3933    11.9561 
   H  97   11.2989     8.7425     8.2520     7.5186     9.0306    11.9380 
   H  98    5.7023    12.3175    12.9190    12.3119    10.7310     6.2336 
   H  99    6.4121    12.5114    13.0271    12.3442    11.0091     7.0853 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8768     0.0000 
   H  75    1.2400     0.8768     0.0000 
   H  76    1.6640     2.4531     2.2910     0.0000 
   H  77    1.4142     2.2910     2.4531     0.8768     0.0000 
   H  78    0.5374     1.4142     1.6640     1.2400     0.8768     0.0000 
   H  79    6.5050     5.7662     5.3139     7.4274     7.7574     6.9736 
   H  80    4.4290     3.5762     3.4547     5.7456     5.8195     4.9558 
   H  81    5.2701     4.4290     4.2418     6.5230     6.6462     5.7909 
   H  82    6.5704     5.9054     5.3415     7.3110     7.7326     7.0011 
   H  83    5.7038     5.0564     4.4715     6.4369     6.8562     6.1288 
   H  84    4.8715     4.6081     3.7563     4.8862     5.5678     5.1012 
   H  85    4.5015     4.3452     3.4720     4.3482     5.0728     4.6766 
   H  86    6.8583     6.7423     5.8678     6.4649     7.2678     6.9831 
   H  87    6.5450     6.5275     5.6518     5.9815     6.8150     6.6133 
   H  88    6.9454     6.4023     5.7088     7.4010     7.9482     7.3105 
   H  89    3.8982     4.3088     3.6074     2.7289     3.6055     3.7269 
   H  90    7.9671     7.8055     6.9371     7.6172     8.4157     8.1115 
   H  91    7.1329     7.2373     6.3765     6.3229     7.1901     7.1216 
   H  92   10.5188     9.9337     9.2792    10.9822    11.5406    10.8967 
   H  93   11.0786    10.7139     9.9093    11.0545    11.7812    11.3300 
   H  94    6.6125     7.2985     6.8158     4.9760     5.6190     6.2158 
   H  95    8.5377     8.9980     8.2864     7.1282     7.9443     8.2888 
   H  96   11.9655    11.4224    10.7309    12.3117    12.9189    12.3174 
   H  97   12.2155    11.7697    11.0090    12.3441    13.0271    12.5113 
   H  98    8.2291     8.9033     8.3933     6.5958     7.2336     7.8356 
   H  99    9.0720     9.6497     9.0306     7.5186     8.2520     8.7425 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    2.6924     0.0000 
   H  81    2.0000     0.8768     0.0000 
   H  82    0.8769     3.2400     2.6924     0.0000 
   H  83    1.2400     2.6923     2.3533     0.8768     0.0000 
   H  84    3.9349     4.3452     4.5016     3.3372     2.6971     0.0000 
   H  85    4.5021     4.6081     4.8716     3.9526     3.2628     0.6582 
   H  86    5.4774     6.5275     6.5450     4.6708     4.3714     2.2860 
   H  87    5.9830     6.7423     6.8584     5.2201     4.8158     2.3980 
   H  88    2.1918     4.3088     3.8982     1.3156     1.6190     2.8059 
   H  89    7.0984     6.4022     6.9455     6.6685     5.8940     3.4641 
   H  90    5.7929     7.2373     7.1329     4.9315     4.8312     3.2380 
   H  91    7.1369     7.8055     7.9671     6.3727     5.9652     3.4724 
   H  92    4.6201     7.2985     6.6126     4.1246     4.9067     6.2302 
   H  93    6.6357     8.9980     8.5377     5.8490     6.3090     6.2302 
   H  94   10.6613     9.9337    10.5188    10.1767     9.4403     6.8682 
   H  95   10.6204    10.7139    11.0787     9.9337     9.3942     6.7112 
   H  96    6.2335     8.9033     8.2291     5.7022     6.4488     7.4629 
   H  97    7.0852     9.6497     9.0720     6.4121     7.0321     7.4629 
   H  98   11.9563    11.4225    11.9656    11.4066    10.7206     8.0696 
   H  99   11.9381    11.7698    12.2156    11.2990    10.7003     8.0033 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    2.3980     0.0000 
   H  87    2.2860     0.7970     0.0000 
   H  88    3.4641     3.5651     4.2079     0.0000 
   H  89    2.8059     4.2079     3.5651     6.2700     0.0000 
   H  90    3.4724     1.1541     1.7991     3.6740     5.3371     0.0000 
   H  91    3.2380     1.7992     1.1541     5.3371     3.6739     2.3902 
   H  92    6.8683     5.9892     6.7816     3.5925     9.6189     5.3720 
   H  93    6.7112     4.8242     5.5507     4.6901     9.0166     3.7623 
   H  94    6.2302     6.7817     5.9893     9.6189     3.5925     7.6947 
   H  95    6.2302     5.5507     4.8242     9.0166     4.6901     6.0631 
   H  96    8.0696     6.7990     7.5919     5.0239    10.7244     5.9649 
   H  97    8.0033     6.3188     7.0744     5.4576    10.4595     5.3131 
   H  98    7.4629     7.5920     6.7991    10.7245     5.0240     8.3549 
   H  99    7.4629     7.0745     6.3189    10.4596     5.4577     7.6537 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92    7.6947     0.0000 
   H  93    6.0631     3.2400     0.0000 
   H  94    5.3719    12.6980    11.4278     0.0000 
   H  95    3.7622    11.4278     9.4579     3.2401     0.0000 
   H  96    8.3548     1.6199     2.8059    13.5806    11.9704     0.0000 
   H  97    7.6537     2.8059     1.6199    13.0043    11.0779     1.6200 
   H  98    5.9649    13.5807    11.9705     1.6200     2.8060    14.3180 
   H  99    5.3131    13.0043    11.0780     2.8059     1.6200    13.5806 

              H  97      H  98      H  99
              ---------------------------------
   H  97    0.0000 
   H  98   13.5806     0.0000 
   H  99   12.6979     1.6200     0.0000 



ATOMIC CHARGES
   O   1   -0.5042960410
   O   2   -0.5042960410
   N   3   -0.1455768506
   N   4   -0.1455768506
   N   5   -0.1469891970
   N   6   -0.1469891970
   N   7   -0.1469891970
   N   8   -0.1469891970
   C   9   -0.0092992860
   C  10   -0.0092992860
   C  11   -0.0389350123
   C  12   -0.0389350123
   C  13   -0.0369197542
   C  14   -0.0369197542
   C  15   -0.0391432584
   C  16   -0.0391432584
   C  17   -0.0557725398
   C  18   -0.0557725398
   C  19   -0.0557725398
   C  20   -0.0557725398
   C  21   -0.0600352704
   C  22   -0.0600352704
   C  23   -0.0600352704
   C  24   -0.0600352704
   C  25   -0.0600352704
   C  26   -0.0600352704
   C  27   -0.0509613430
   C  28   -0.0509613430
   C  29    0.0009111605
   C  30    0.0009111605
   C  31    0.0046388129
   C  32   -0.0272350034
   C  33   -0.0272350034
   C  34    0.1279324745
   C  35    0.1279324745
   C  36    0.1473389133
   C  37    0.1473389133
   C  38    0.1131767365
   C  39    0.1131767365
   C  40    0.1131767365
   C  41    0.1131767365
   C  42   -0.0323938863
   C  43   -0.0323938863
   C  44   -0.0323938863
   C  45   -0.0323938863
   C  46   -0.0595650187
   C  47   -0.0595650187
   C  48   -0.0595650187
   C  49   -0.0595650187
   H  50    0.0278657357
   H  51    0.0278657357
   H  52    0.0278657357
   H  53    0.0278657357
   H  54    0.0238126846
   H  55    0.0238126846
   H  56    0.0238126846
   H  57    0.0238126846
   H  58    0.0238126846
   H  59    0.0238126846
   H  60    0.0238126846
   H  61    0.0238126846
   H  62    0.0238126846
   H  63    0.0238126846
   H  64    0.0238126846
   H  65    0.0238126846
   H  66    0.0234905283
   H  67    0.0234905283
   H  68    0.0234905283
   H  69    0.0234905283
   H  70    0.0234905283
   H  71    0.0234905283
   H  72    0.0234905283
   H  73    0.0234905283
   H  74    0.0234905283
   H  75    0.0234905283
   H  76    0.0234905283
   H  77    0.0234905283
   H  78    0.0234905283
   H  79    0.0234905283
   H  80    0.0234905283
   H  81    0.0234905283
   H  82    0.0234905283
   H  83    0.0234905283
   H  84    0.0624419816
   H  85    0.0624419816
   H  86    0.0363746371
   H  87    0.0363746371
   H  88    0.0643352897
   H  89    0.0643352897
   H  90    0.2922454358
   H  91    0.2922454358
   H  92    0.0639946178
   H  93    0.0639946178
   H  94    0.0639946178
   H  95    0.0639946178
   H  96    0.0618246513
   H  97    0.0618246513
   H  98    0.0618246513
   H  99    0.0618246513


BOND ANGLES
  36    1   90  Car   O3   HO    120.002
  37    2   91  Car   O3   HO    119.998
   7    3    8  Nar  Nar  Nar    108.101
   7    3   34  Nar  Nar  Car    125.951
   8    3   34  Nar  Nar  Car    125.948
   5    4    6  Nar  Nar  Nar    108.101
   5    4   35  Nar  Nar  Car    125.954
   6    4   35  Nar  Nar  Car    125.945
   4    5   41  Nar  Nar  Car    108.101
   4    6   40  Nar  Nar  Car    108.095
   3    7   39  Nar  Nar  Car    108.103
   3    8   38  Nar  Nar  Car    108.094
  12    9   15   C3   C3  Car    179.974
  12    9   19   C3   C3   C3     90.000
  12    9   20   C3   C3   C3     90.000
  15    9   19  Car   C3   C3     90.000
  15    9   20  Car   C3   C3     90.000
  19    9   20   C3   C3   C3    179.974
  11   10   16   C3   C3  Car    179.974
  11   10   17   C3   C3   C3     90.003
  11   10   18   C3   C3   C3     90.000
  16   10   17  Car   C3   C3     90.000
  16   10   18  Car   C3   C3     89.997
  17   10   18   C3   C3   C3    179.974
  10   11   14   C3   C3   C3    119.999
  10   11   50   C3   C3   HC     80.000
  10   11   51   C3   C3   HC    160.002
  14   11   50   C3   C3   HC    160.002
  14   11   51   C3   C3   HC     80.000
  50   11   51   HC   C3   HC     80.002
   9   12   13   C3   C3   C3    120.001
   9   12   52   C3   C3   HC    159.993
   9   12   53   C3   C3   HC     80.004
  13   12   52   C3   C3   HC     80.006
  13   12   53   C3   C3   HC    159.996
  52   12   53   HC   C3   HC     79.990
  12   13   24   C3   C3   C3    179.974
  12   13   25   C3   C3   C3     90.000
  12   13   26   C3   C3   C3     90.000
  24   13   25   C3   C3   C3     90.000
  24   13   26   C3   C3   C3     90.000
  25   13   26   C3   C3   C3    179.974
  11   14   21   C3   C3   C3    179.974
  11   14   22   C3   C3   C3     90.000
  11   14   23   C3   C3   C3     90.003
  21   14   22   C3   C3   C3     89.997
  21   14   23   C3   C3   C3     90.000
  22   14   23   C3   C3   C3    179.974
   9   15   27   C3  Car  Car    120.001
   9   15   33   C3  Car  Car    119.999
  27   15   33  Car  Car  Car    120.001
  10   16   28   C3  Car  Car    120.001
  10   16   32   C3  Car  Car    119.998
  28   16   32  Car  Car  Car    120.001
  10   17   63   C3   C3   HC     89.996
  10   17   64   C3   C3   HC    179.974
  10   17   65   C3   C3   HC     89.999
  63   17   64   HC   C3   HC     90.000
  63   17   65   HC   C3   HC    179.974
  64   17   65   HC   C3   HC     90.005
  10   18   60   C3   C3   HC     90.004
  10   18   61   C3   C3   HC    179.974
  10   18   62   C3   C3   HC     90.001
  60   18   61   HC   C3   HC     89.995
  60   18   62   HC   C3   HC    179.974
  61   18   62   HC   C3   HC     90.000
   9   19   57   C3   C3   HC     89.999
   9   19   58   C3   C3   HC    179.974
   9   19   59   C3   C3   HC     89.996
  57   19   58   HC   C3   HC     90.000
  57   19   59   HC   C3   HC    179.974
  58   19   59   HC   C3   HC     90.005
   9   20   54   C3   C3   HC     90.004
   9   20   55   C3   C3   HC    179.974
   9   20   56   C3   C3   HC     90.001
  54   20   55   HC   C3   HC     90.000
  54   20   56   HC   C3   HC    179.974
  55   20   56   HC   C3   HC     89.995
  14   21   68   C3   C3   HC     90.004
  14   21   69   C3   C3   HC    179.974
  14   21   70   C3   C3   HC     90.001
  68   21   69   HC   C3   HC     90.000
  68   21   70   HC   C3   HC    179.974
  69   21   70   HC   C3   HC     89.995
  14   22   71   C3   C3   HC     90.001
  14   22   80   C3   C3   HC    179.974
  14   22   81   C3   C3   HC     90.004
  71   22   80   HC   C3   HC     90.000
  71   22   81   HC   C3   HC    179.974
  80   22   81   HC   C3   HC     89.995
  14   23   79   C3   C3   HC     89.999
  14   23   82   C3   C3   HC    179.974
  14   23   83   C3   C3   HC     89.996
  79   23   82   HC   C3   HC     90.005
  79   23   83   HC   C3   HC    179.974
  82   23   83   HC   C3   HC     90.000
  13   24   76   C3   C3   HC     90.000
  13   24   77   C3   C3   HC    179.974
  13   24   78   C3   C3   HC     90.000
  76   24   77   HC   C3   HC     90.000
  76   24   78   HC   C3   HC    179.974
  77   24   78   HC   C3   HC     90.000
  13   25   73   C3   C3   HC     90.000
  13   25   74   C3   C3   HC    179.974
  13   25   75   C3   C3   HC     90.000
  73   25   74   HC   C3   HC     90.000
  73   25   75   HC   C3   HC    179.974
  74   25   75   HC   C3   HC     90.000
  13   26   66   C3   C3   HC     90.000
  13   26   67   C3   C3   HC    179.974
  13   26   72   C3   C3   HC     90.000
  66   26   67   HC   C3   HC     90.000
  66   26   72   HC   C3   HC    179.974
  67   26   72   HC   C3   HC     90.000
  15   27   29  Car  Car  Car    120.001
  15   27   85  Car  Car   HC    120.002
  29   27   85  Car  Car   HC    119.998
  16   28   30  Car  Car  Car    119.999
  16   28   84  Car  Car   HC    120.001
  30   28   84  Car  Car   HC    120.001
  27   29   31  Car  Car   C3    120.001
  27   29   37  Car  Car  Car    119.999
  31   29   37   C3  Car  Car    120.001
  28   30   31  Car  Car   C3    119.999
  28   30   36  Car  Car  Car    120.001
  31   30   36   C3  Car  Car    120.001
  29   31   30  Car   C3  Car    120.001
  29   31   86  Car   C3   HC    159.996
  29   31   87  Car   C3   HC     80.006
  30   31   86  Car   C3   HC     80.004
  30   31   87  Car   C3   HC    159.993
  86   31   87   HC   C3   HC     79.990
  16   32   34  Car  Car  Car    120.001
  16   32   88  Car  Car   HC    119.997
  34   32   88  Car  Car   HC    120.002
  15   33   35  Car  Car  Car    119.999
  15   33   89  Car  Car   HC    120.001
  35   33   89  Car  Car   HC    120.001
   3   34   32  Nar  Car  Car    120.001
   3   34   36  Nar  Car  Car    120.001
  32   34   36  Car  Car  Car    119.999
   4   35   33  Nar  Car  Car    120.001
   4   35   37  Nar  Car  Car    119.998
  33   35   37  Car  Car  Car    120.001
   1   36   30   O3  Car  Car    120.001
   1   36   34   O3  Car  Car    119.999
  30   36   34  Car  Car  Car    120.001
   2   37   29   O3  Car  Car    120.001
   2   37   35   O3  Car  Car    119.998
  29   37   35  Car  Car  Car    120.001
   8   38   39  Nar  Car  Car    107.854
   8   38   42  Nar  Car  Car    132.146
  39   38   42  Car  Car  Car    120.001
   7   39   38  Nar  Car  Car    107.848
   7   39   43  Nar  Car  Car    132.151
  38   39   43  Car  Car  Car    120.001
   6   40   41  Nar  Car  Car    107.853
   6   40   44  Nar  Car  Car    132.148
  41   40   44  Car  Car  Car    119.999
   5   41   40  Nar  Car  Car    107.849
   5   41   45  Nar  Car  Car    132.150
  40   41   45  Car  Car  Car    120.001
  38   42   46  Car  Car  Car    119.999
  38   42   92  Car  Car   HC    120.001
  46   42   92  Car  Car   HC    120.001
  39   43   47  Car  Car  Car    119.999
  39   43   93  Car  Car   HC    120.001
  47   43   93  Car  Car   HC    120.001
  40   44   48  Car  Car  Car    120.001
  40   44   94  Car  Car   HC    120.002
  48   44   94  Car  Car   HC    119.997
  41   45   49  Car  Car  Car    120.001
  41   45   95  Car  Car   HC    119.997
  49   45   95  Car  Car   HC    120.002
  42   46   47  Car  Car  Car    120.001
  42   46   96  Car  Car   HC    119.998
  47   46   96  Car  Car   HC    120.002
  43   47   46  Car  Car  Car    120.001
  43   47   97  Car  Car   HC    119.998
  46   47   97  Car  Car   HC    120.002
  44   48   49  Car  Car  Car    120.001
  44   48   98  Car  Car   HC    119.997
  49   48   98  Car  Car   HC    120.002
  45   49   48  Car  Car  Car    119.999
  45   49   99  Car  Car   HC    120.001
  48   49   99  Car  Car   HC    120.001


TORSION ANGLES
  90    1   36   30      0.026
  90    1   36   34    179.974
  91    2   37   29      0.026
  91    2   37   35    179.974
   8    3    7   39      0.026
  34    3    7   39    179.974
   7    3    8   38      0.026
  34    3    8   38    179.974
   7    3   34   32    179.974
   7    3   34   36      0.026
   8    3   34   32      0.026
   8    3   34   36    179.974
   6    4    5   41      0.026
  35    4    5   41    179.974
   5    4    6   40      0.026
  35    4    6   40    179.974
   5    4   35   33    179.974
   5    4   35   37      0.026
   6    4   35   33      0.026
   6    4   35   37    179.974
   4    5   41   40      0.026
   4    5   41   45    179.974
   4    6   40   41      0.026
   4    6   40   44    179.974
   3    7   39   38      0.026
   3    7   39   43    179.974
   3    8   38   39      0.026
   3    8   38   42    179.974
  15    9   12   13      0.026
  15    9   12   52    179.974
  15    9   12   53    179.974
  19    9   12   13      0.026
  19    9   12   52    179.974
  19    9   12   53    179.974
  20    9   12   13    179.974
  20    9   12   52      0.026
  20    9   12   53      0.026
  12    9   15   27    179.974
  12    9   15   33      0.026
  19    9   15   27    179.974
  19    9   15   33      0.026
  20    9   15   27      0.026
  20    9   15   33    179.974
  12    9   19   57    179.974
  12    9   19   58    179.974
  12    9   19   59      0.026
  15    9   19   57      0.026
  15    9   19   58      0.026
  15    9   19   59    179.974
  20    9   19   57      0.026
  20    9   19   58      0.026
  20    9   19   59    179.974
  12    9   20   54      0.026
  12    9   20   55    179.974
  12    9   20   56    179.974
  15    9   20   54    179.974
  15    9   20   55      0.026
  15    9   20   56      0.026
  19    9   20   54    179.974
  19    9   20   55      0.026
  19    9   20   56      0.026
  16   10   11   14    179.974
  16   10   11   50      0.026
  16   10   11   51      0.026
  17   10   11   14      0.026
  17   10   11   50    179.974
  17   10   11   51    179.974
  18   10   11   14    179.974
  18   10   11   50      0.026
  18   10   11   51      0.026
  11   10   16   28      0.026
  11   10   16   32    179.974
  17   10   16   28    179.974
  17   10   16   32      0.026
  18   10   16   28      0.026
  18   10   16   32    179.974
  11   10   17   63      0.026
  11   10   17   64      0.026
  11   10   17   65    179.974
  16   10   17   63    179.974
  16   10   17   64    179.974
  16   10   17   65      0.026
  18   10   17   63    179.974
  18   10   17   64    179.974
  18   10   17   65      0.026
  11   10   18   60    179.974
  11   10   18   61    179.974
  11   10   18   62      0.026
  16   10   18   60      0.026
  16   10   18   61      0.026
  16   10   18   62    179.974
  17   10   18   60      0.026
  17   10   18   61      0.026
  17   10   18   62    179.974
  10   11   14   21    179.974
  10   11   14   22    179.974
  10   11   14   23      0.026
  50   11   14   21      0.026
  50   11   14   22      0.026
  50   11   14   23    179.974
  51   11   14   21      0.026
  51   11   14   22      0.026
  51   11   14   23    179.974
   9   12   13   24    180.000
   9   12   13   25    179.974
   9   12   13   26      0.026
  52   12   13   24    180.000
  52   12   13   25      0.026
  52   12   13   26    179.974
  53   12   13   24    180.000
  53   12   13   25      0.026
  53   12   13   26    179.974
  12   13   24   76    180.000
  12   13   24   77    180.000
  12   13   24   78    180.000
  25   13   24   76    179.974
  25   13   24   77    180.000
  25   13   24   78      0.026
  26   13   24   76      0.026
  26   13   24   77    180.000
  26   13   24   78    179.974
  12   13   25   73    179.974
  12   13   25   74    180.000
  12   13   25   75      0.026
  24   13   25   73      0.026
  24   13   25   74    180.000
  24   13   25   75    179.974
  26   13   25   73    180.000
  26   13   25   74    180.000
  26   13   25   75    180.000
  12   13   26   66      0.026
  12   13   26   67    180.000
  12   13   26   72    179.974
  24   13   26   66    179.974
  24   13   26   67    180.000
  24   13   26   72      0.026
  25   13   26   66    180.000
  25   13   26   67    180.000
  25   13   26   72    180.000
  11   14   21   68      0.026
  11   14   21   69    179.974
  11   14   21   70    179.974
  22   14   21   68      0.026
  22   14   21   69    179.974
  22   14   21   70    179.974
  23   14   21   68    179.974
  23   14   21   69      0.026
  23   14   21   70      0.026
  11   14   22   71      0.026
  11   14   22   80    179.974
  11   14   22   81    179.974
  21   14   22   71    179.974
  21   14   22   80      0.026
  21   14   22   81      0.026
  23   14   22   71    179.974
  23   14   22   80      0.026
  23   14   22   81      0.026
  11   14   23   79    179.974
  11   14   23   82      0.026
  11   14   23   83      0.026
  21   14   23   79      0.026
  21   14   23   82    179.974
  21   14   23   83    179.974
  22   14   23   79      0.026
  22   14   23   82    179.974
  22   14   23   83    179.974
   9   15   27   29    179.974
   9   15   27   85      0.026
  33   15   27   29      0.026
  33   15   27   85    179.974
   9   15   33   35    179.974
   9   15   33   89      0.026
  27   15   33   35      0.026
  27   15   33   89    179.974
  10   16   28   30    179.974
  10   16   28   84      0.026
  32   16   28   30      0.026
  32   16   28   84    179.974
  10   16   32   34    179.974
  10   16   32   88      0.026
  28   16   32   34      0.026
  28   16   32   88    179.974
  15   27   29   31    179.974
  15   27   29   37      0.026
  85   27   29   31      0.026
  85   27   29   37    179.974
  16   28   30   31    179.974
  16   28   30   36      0.026
  84   28   30   31      0.026
  84   28   30   36    179.974
  27   29   31   30      0.026
  27   29   31   86    179.974
  27   29   31   87    179.974
  37   29   31   30    179.974
  37   29   31   86      0.026
  37   29   31   87      0.026
  27   29   37    2    179.974
  27   29   37   35      0.026
  31   29   37    2      0.026
  31   29   37   35    179.974
  28   30   31   29      0.026
  28   30   31   86    179.974
  28   30   31   87    179.974
  36   30   31   29    179.974
  36   30   31   86      0.026
  36   30   31   87      0.026
  28   30   36    1    179.974
  28   30   36   34      0.026
  31   30   36    1      0.026
  31   30   36   34    179.974
  16   32   34    3    179.974
  16   32   34   36      0.026
  88   32   34    3      0.026
  88   32   34   36    179.974
  15   33   35    4    179.974
  15   33   35   37      0.026
  89   33   35    4      0.026
  89   33   35   37    179.974
   3   34   36    1      0.026
   3   34   36   30    179.974
  32   34   36    1    179.974
  32   34   36   30      0.026
   4   35   37    2      0.026
   4   35   37   29    179.974
  33   35   37    2    179.974
  33   35   37   29      0.026
   8   38   39    7      0.026
   8   38   39   43    179.974
  42   38   39    7    179.974
  42   38   39   43      0.026
   8   38   42   46    179.974
   8   38   42   92      0.026
  39   38   42   46      0.026
  39   38   42   92    179.974
   7   39   43   47    179.974
   7   39   43   93      0.026
  38   39   43   47      0.026
  38   39   43   93    179.974
   6   40   41    5      0.026
   6   40   41   45    179.974
  44   40   41    5    179.974
  44   40   41   45      0.026
   6   40   44   48    179.974
   6   40   44   94      0.026
  41   40   44   48      0.026
  41   40   44   94    179.974
   5   41   45   49    179.974
   5   41   45   95      0.026
  40   41   45   49      0.026
  40   41   45   95    179.974
  38   42   46   47      0.026
  38   42   46   96    179.974
  92   42   46   47    179.974
  92   42   46   96      0.026
  39   43   47   46      0.026
  39   43   47   97    179.974
  93   43   47   46    179.974
  93   43   47   97      0.026
  40   44   48   49      0.026
  40   44   48   98    179.974
  94   44   48   49    179.974
  94   44   48   98      0.026
  41   45   49   48      0.026
  41   45   49   99    179.974
  95   45   49   48    179.974
  95   45   49   99      0.026
  42   46   47   43      0.026
  42   46   47   97    179.974
  96   46   47   43    179.974
  96   46   47   97      0.026
  44   48   49   45      0.026
  44   48   49   99    179.974
  98   48   49   45    179.974
  98   48   49   99      0.026