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,-Carotene
,-Carotene ID: API-14183
CAS:7235-40-7
Supplier:APIchem

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SMILES:C1(CCCC(=C1C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(CCCC1(C)C)C)C)C)C)C)C)(C)C	ChemMol.com
FORMULA: C40H56
MASS: 536.8726
EXACT MASS: 536.4382018
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2   18.1935     0.0000 
   C   3   19.0526     1.0000     0.0000 
   C   4    1.0000    19.0526    19.9249     0.0000 
   C   5   19.0788     1.7320     1.0000    19.9750     0.0000 
   C   6    1.7320    19.0788    19.9750     1.0000    20.0749     0.0000 
   C   7   17.3206     1.0000     1.7320    18.1935     2.0000    18.2484 
   C   8    1.0001    17.3205    18.1934     1.7321    18.2483     2.0000 
   C   9   18.2484     2.0000     1.7320    19.1573     1.0000    19.2873 
   C  10    2.0000    18.2484    19.1573     1.7320    19.2873     1.0000 
   C  11   17.3494     1.7320     2.0000    18.2484     1.7320    18.3576 
   C  12    1.7321    17.3493    18.2483     2.0000    18.3575     1.7321 
   C  13   18.7365     1.0000     1.4142    19.5718     2.3941    19.5531 
   C  14   17.7393     1.0000     1.9318    18.5728     2.7320    18.5531 
   C  15    1.0000    18.7365    19.5718     1.4142    19.5531     2.3941 
   C  16    1.0000    17.7393    18.5728     1.9318    18.5531     2.7320 
   C  17   16.4621     1.7321     2.6458    17.3205     3.0000    17.3493 
   C  18    1.7321    16.4621    17.3205     2.6458    17.3493     3.0000 
   C  19   16.5227     2.6458     3.0000    17.4356     2.6458    17.5784 
   C  20    2.6458    16.5227    17.4356     3.0000    17.5784     2.6458 
   C  21   15.5885     2.6458     3.4641    16.4621     3.6055    16.5227 
   C  22    2.6458    15.5885    16.4621     3.4641    16.5227     3.6055 
   C  23    3.4641    14.7310    15.5885     4.3589    15.6205     4.5826 
   C  24   14.7310     3.4641     4.3589    15.5885     4.5826    15.6205 
   C  25   14.7987     3.6055     4.5826    15.6205     5.0000    15.5885 
   C  26    3.6055    14.7987    15.6205     4.5826    15.5885     5.0000 
   C  27   13.8564     4.3590     5.1962    14.7309     5.2915    14.7986 
   C  28    4.3590    13.8564    14.7309     5.1962    14.7986     5.2915 
   C  29    5.1962    13.0000    13.8564     6.0828    13.8924     6.2450 
   C  30   13.0000     5.1962     6.0828    13.8564     6.2450    13.8924 
   C  31    6.0828    12.1244    13.0000     6.9282    13.0767     7.0000 
   C  32   12.1244     6.0828     6.9282    13.0000     7.0000    13.0767 
   C  33   11.2695     6.9282     7.8102    12.1244     7.9372    12.1656 
   C  34    6.9282    11.2695    12.1244     7.8102    12.1656     7.9372 
   C  35    7.0000    11.3579    12.1656     7.9372    12.1244     8.1853 
   C  36   11.3579     7.0000     7.9372    12.1656     8.1853    12.1244 
   C  37    7.8103    10.3923    11.2694     8.6603    11.3578     8.7178 
   C  38   10.3923     7.8103     8.6603    11.2694     8.7178    11.3578 
   C  39    9.5394     8.6603     9.5394    10.3923     9.6437    10.4403 
   C  40    8.6603     9.5394    10.3923     9.5394    10.4403     9.6437 
   H  41    1.5968    19.6635    20.5382     0.6200    20.5921     1.0812 
   H  42    1.0812    19.2734    20.1308     0.6200    20.1515     1.5967 
   H  43   19.6635     1.5968     0.6200    20.5382     1.0812    20.5921 
   H  44   19.2734     1.0812     0.6200    20.1308     1.5967    20.1515 
   H  45    2.3451    19.3295    20.2380     1.5967    20.3653     0.6200 
   H  46    2.0295    19.6834    20.5764     1.0812    20.6681     0.6200 
   H  47   19.3295     2.3451     1.5967    20.2380     0.6200    20.3653 
   H  48   19.6834     2.0295     1.0812    20.5764     0.6200    20.6681 
   H  49   17.8973     2.5069     2.3452    18.8175     1.5968    18.9749 
   H  50   18.6897     2.5069     2.0296    19.6079     1.0813    19.7591 
   H  51    2.5069    17.8973    18.8175     2.3452    18.9749     1.5968 
   H  52    2.5069    18.6897    19.6079     2.0296    19.7591     1.0813 
   H  53    1.1766    18.3004    19.1257     1.8699    19.0903     2.8015 
   H  54    1.6200    17.4805    18.2965     2.5358    18.2471     3.3521 
   H  55    1.1766    17.1821    18.0242     2.1764    18.0211     2.8015 
   H  56    1.1766    19.2525    20.0972     1.0697    20.0944     2.0631 
   H  57    1.6200    19.0917    19.9121     1.9038    19.8667     2.9035 
   H  58    1.1766    18.2268    19.0519     1.9038    19.0164     2.8242 
   H  59   18.3004     1.1766     1.8699    19.1257     2.8015    19.0903 
   H  60   17.4805     1.6200     2.5358    18.2965     3.3521    18.2471 
   H  61   17.1821     1.1766     2.1764    18.0242     2.8015    18.0211 
   H  62   19.2525     1.1766     1.0697    20.0972     2.0631    20.0944 
   H  63   19.0917     1.6200     1.9038    19.9121     2.9035    19.8667 
   H  64   18.2268     1.1766     1.9038    19.0519     2.8242    19.0164 
   H  65    1.8397    16.4926    17.3316     2.8292    17.3247     3.3533 
   H  66   16.4926     1.8397     2.8292    17.3316     3.3533    17.3247 
   H  67    2.5121    16.1732    17.0733     3.0634    17.1879     2.9083 
   H  68    3.2380    16.0202    16.9418     3.6200    17.1069     3.2380 
   H  69    2.9083    16.8878    17.8121     3.0634    17.9818     2.5121 
   H  70   16.1732     2.5121     3.0634    17.0733     2.9083    17.1879 
   H  71   16.0202     3.2380     3.6200    16.9418     3.2380    17.1069 
   H  72   16.8878     2.9083     3.0634    17.8121     2.5121    17.9818 
   H  73    2.8292    15.6008    16.4926     3.5191    16.5905     3.4849 
   H  74   15.6008     2.8292     3.5191    16.4926     3.4849    16.5905 
   H  75   15.4157     3.0148     4.0019    16.2393     4.4738    16.2085 
   H  76    3.0148    15.4157    16.2393     4.0019    16.2085     4.4738 
   H  77    3.8242    14.8744    15.6725     4.8212    15.6008     5.3371 
   H  78    4.2047    14.1820    15.0019     5.1724    14.9685     5.5456 
   H  79   14.8744     3.8242     4.8212    15.6725     5.3371    15.6008 
   H  80   14.1820     4.2047     5.1724    15.0019     5.5456    14.9685 
   H  81    4.4727    13.8703    14.7649     5.2331    14.8743     5.2101 
   H  82   13.8703     4.4727     5.2331    14.7649     5.2101    14.8743 
   H  83    5.2331    13.0386    13.8703     6.1648    13.8616     6.4222 
   H  84   13.0386     5.2331     6.1648    13.8703     6.4222    13.8616 
   H  85    6.1648    12.1402    13.0386     6.9559    13.1623     6.9386 
   H  86   12.1402     6.1648     6.9559    13.0386     6.9386    13.1623 
   H  87    6.3870    11.9727    12.7836     7.3293    12.7444     7.5973 
   H  88    7.1151    11.4563    12.2321     8.0774    12.1402     8.3955 
   H  89   11.9727     6.3870     7.3293    12.7836     7.5973    12.7444 
   H  90   11.4563     7.1151     8.0774    12.2321     8.3955    12.1402 
   H  91    7.6142    10.7436    11.5478     8.5469    11.5044     8.7777 
   H  92   10.7436     7.6142     8.5469    11.5478     8.7777    11.5044 
   H  93   10.4108     7.8744     8.6825    11.3139     8.6686    11.4562 
   H  94    7.8744    10.4108    11.3139     8.6825    11.4562     8.6686 
   H  95    9.5919     8.6825     9.5919    10.4108     9.7593    10.3992 
   H  96    8.6825     9.5919    10.4108     9.5919    10.3992     9.7593 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8   16.4621     0.0000 
   C   9    1.7320    17.4356     0.0000 
   C  10   17.4357     1.7321    18.5203     0.0000 
   C  11    1.0000    16.5227     1.0000    17.5785     0.0000 
   C  12   16.5227     1.0000    17.5784     1.0001    16.6433     0.0000 
   C  13    1.9318    17.8415     2.9093    18.6974     2.7320    17.8210 
   C  14    1.4142    16.8428     2.9093    17.6980     2.3941    16.8210 
   C  15   17.8416     1.9319    18.6974     2.9093    17.8211     2.7321 
   C  16   16.8429     1.4142    17.6980     2.9093    16.8211     2.3942 
   C  17    1.0001    15.5884     2.6458    16.5227     1.7321    15.6204 
   C  18   15.5885     1.0000    16.5227     2.6458    15.6205     1.7320 
   C  19    1.7321    15.7162     1.7321    16.8226     1.0001    15.8745 
   C  20   15.7163     1.7320    16.8226     1.7321    15.8745     1.0000 
   C  21    1.7321    14.7309     3.0000    15.7163     2.0000    14.7986 
   C  22   14.7310     1.7320    15.7163     3.0000    14.7987     2.0000 
   C  23   13.8565     2.6457    14.7987     4.0000    13.8925     2.9999 
   C  24    2.6458    13.8564     4.0000    14.7987     3.0000    13.8924 
   C  25    3.0000    13.8924     4.5826    14.7310     3.6056    13.8564 
   C  26   13.8925     2.9999    14.7310     4.5826    13.8565     3.6055 
   C  27    3.4642    12.9999     4.5826    14.0000     3.6056    13.0766 
   C  28   13.0000     3.4641    14.0000     4.5826    13.0767     3.6055 
   C  29   12.1244     4.3589    13.0767     5.5678    12.1656     4.5826 
   C  30    4.3590    12.1243     5.5678    13.0767     4.5826    12.1655 
   C  31   11.2695     5.1961    12.2882     6.2450    11.3579     5.2915 
   C  32    5.1962    11.2694     6.2450    12.2882     5.2915    11.3578 
   C  33    6.0828    10.3923     7.2111    11.3579     6.2450    10.4403 
   C  34   10.3924     6.0827    11.3579     7.2111    10.4404     6.2449 
   C  35   10.4404     6.2449    11.2695     7.5498    10.3924     6.5574 
   C  36    6.2450    10.4403     7.5498    11.2695     6.5575    10.3923 
   C  37    9.5394     6.9282    10.5830     7.9373     9.6437     7.0000 
   C  38    6.9283     9.5393     7.9373    10.5830     7.0001     9.6436 
   C  39    7.8103     8.6602     8.8882     9.6437     7.9373     8.7177 
   C  40    8.6603     7.8102     9.6437     8.8882     8.7178     7.9372 
   H  41   18.8070     2.3452    19.7758     2.0295    18.8658     2.5069 
   H  42   18.3988     2.0295    19.3167     2.3451    18.4215     2.5068 
   H  43    2.3451    18.8069     2.0295    19.7758     2.5068    18.8657 
   H  44    2.0294    18.3987     2.3451    19.3167     2.5067    18.4214 
   H  45   18.5161     2.5068    19.5949     1.0812    18.6551     2.0295 
   H  46   18.8487     2.5069    19.8748     1.5968    18.9488     2.3452 
   H  47    2.5067    18.5160     1.0812    19.5949     2.0294    18.6550 
   H  48    2.5068    18.8486     1.5968    19.8748     2.3451    18.9487 
   H  49    2.0296    17.1019     0.6201    18.2267     1.0812    17.2750 
   H  50    2.3451    17.8910     0.6200    19.0054     1.5967    18.0565 
   H  51   17.1020     2.0296    18.2267     0.6201    17.2751     1.0813 
   H  52   17.8911     2.3452    19.0054     0.6200    18.0566     1.5968 
   H  53   17.3973     1.9038    18.2264     3.1762    17.3584     2.8242 
   H  54   16.5701     1.9038    17.3769     3.4981    16.5155     2.9035 
   H  55   16.2931     1.0697    17.1756     2.7584    16.2897     2.0631 
   H  56   18.3659     2.1764    19.2467     2.7583    18.3629     2.8015 
   H  57   18.1848     2.5359    18.9968     3.4981    18.1351     3.3521 
   H  58   17.3236     1.8699    18.1525     3.1762    17.2845     2.8015 
   H  59    1.9037    17.3972     3.1762    18.2264     2.8242    17.3583 
   H  60    1.9038    16.5700     3.4981    17.3769     2.9035    16.5154 
   H  61    1.0698    16.2930     2.7584    17.1756     2.0631    16.2896 
   H  62    2.1763    18.3658     2.7583    19.2467     2.8015    18.3628 
   H  63    2.5358    18.1847     3.4981    18.9968     3.3521    18.1350 
   H  64    1.8698    17.3235     3.1762    18.1525     2.8015    17.2844 
   H  65   15.6008     1.4158    16.4780     3.1408    15.5931     2.2901 
   H  66    1.4158    15.6007     3.1408    16.4780     2.2901    15.5930 
   H  67   15.3484     1.5200    16.4142     2.1115    15.4758     1.1766 
   H  68   15.2278     2.2900    16.3672     2.2901    15.4113     1.6199 
   H  69   16.0996     2.1114    17.2437     1.5201    16.2872     1.1766 
   H  70    1.5201    15.3483     2.1115    16.4142     1.1767    15.4757 
   H  71    2.2901    15.2277     2.2901    16.3672     1.6200    15.4112 
   H  72    2.1114    16.0995     1.5201    17.2437     1.1766    16.2871 
   H  73   14.7650     1.8396    15.8071     2.7431    14.8744     1.7732 
   H  74    1.8397    14.7649     2.7431    15.8071     1.7733    14.8743 
   H  75    2.4825    14.5109     4.1339    15.3506     3.1879    14.4764 
   H  76   14.5110     2.4824    15.3506     4.1339    14.4765     3.1879 
   H  77   13.9509     3.3532    14.7230     5.0104    13.8704     4.0600 
   H  78   13.2742     3.5504    14.1114     5.0675    13.2365     4.0750 
   H  79    3.3533    13.9508     5.0104    14.7230     4.0601    13.8703 
   H  80    3.5505    13.2741     5.0675    14.1114     4.0751    13.2364 
   H  81   13.0386     3.5191    14.1019     4.4187    13.1623     3.4849 
   H  82    3.5192    13.0385     4.4187    14.1019     3.4850    13.1622 
   H  83   12.1402     4.4726    13.0202     5.8194    12.1304     4.8212 
   H  84    4.4727    12.1401     5.8194    13.0202     4.8213    12.1303 
   H  85   11.3140     5.2330    12.4043     6.1257    11.4563     5.2100 
   H  86    5.2331    11.3139     6.1257    12.4043     5.2101    11.4562 
   H  87   11.0577     5.6450    11.8889     6.9852    11.0124     5.9889 
   H  88   10.5179     6.4221    11.2590     7.8169    10.4109     6.8179 
   H  89    5.6451    11.0576     6.9852    11.8889     5.9890    11.0123 
   H  90    6.4222    10.5178     7.8169    11.2590     6.8180    10.4108 
   H  91    9.8234     6.8484    10.6501     8.1225     9.7724     7.1345 
   H  92    6.8485     9.8233     8.1225    10.6501     7.1345     9.7723 
   H  93    6.9560     9.5918     7.8438    10.7175     6.9387     9.7592 
   H  94    9.5919     6.9559    10.7175     7.8438     9.7593     6.9386 
   H  95    7.8744     8.6824     9.0479     9.5669     8.0775     8.6685 
   H  96    8.6825     7.8743     9.5669     9.0479     8.6686     8.0774 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15   19.3160    18.3231     0.0000 
   C  16   18.3231    17.3309     1.0000     0.0000 
   C  17    2.3942     1.5060    17.0094    16.0129     0.0000 
   C  18   17.0094    16.0129     2.3942     1.5060    14.7309     0.0000 
   C  19    3.6327     3.1196    16.9663    15.9671     2.0000    14.7986 
   C  20   16.9663    15.9671     3.6327     3.1196    14.7986     2.0000 
   C  21    3.3859     2.5036    16.1118    15.1133     1.0000    13.8564 
   C  22   16.1118    15.1133     3.3859     2.5036    13.8564     1.0000 
   C  23   15.2837    14.2879     4.0576     3.0880    13.0000     1.7320 
   C  24    4.0576     3.0880    15.2837    14.2879     1.7320    13.0000 
   C  25    3.9664     2.9671    15.4053    14.4180     2.0000    13.0767 
   C  26   15.4053    14.4180     3.9664     2.9671    13.0767     2.0000 
   C  27    5.0196     4.0665    14.3825    13.3844     2.6458    12.1243 
   C  28   14.3825    13.3844     5.0196     4.0665    12.1243     2.6458 
   C  29   13.5594    12.5649     5.7617     4.7754    11.2694     3.4641 
   C  30    5.7617     4.7754    13.5594    12.5649     3.4641    11.2694 
   C  31   12.6541    11.6566     6.7029     5.7275    10.3923     4.3589 
   C  32    6.7029     5.7275    12.6541    11.6566     4.3589    10.3923 
   C  33    7.4785     6.4863    11.8375    10.8448     5.1961     9.5394 
   C  34   11.8375    10.8448     7.4785     6.4863     9.5394     5.1961 
   C  35   11.9941    11.0155     7.4294     6.4296     9.6437     5.2915 
   C  36    7.4294     6.4296    11.9941    11.0155     5.2915     9.6437 
   C  37   10.9267     9.9301     8.4060     7.4211     8.6602     6.0828 
   C  38    8.4060     7.4211    10.9267     9.9301     6.0828     8.6602 
   C  39    9.2011     8.2061    10.1189     9.1291     6.9282     7.8102 
   C  40   10.1189     9.1291     9.2011     8.2061     7.8102     6.9282 
   H  41   20.1775    19.1782     1.7679     2.4655    17.9314     3.2657 
   H  42   19.8176    18.8204     0.9735     1.7618    17.5422     2.8113 
   H  43    1.7679     2.4655    20.1775    19.1782     3.2657    17.9314 
   H  44    0.9735     1.7618    19.8176    18.8204     2.8113    17.5422 
   H  45   19.7776    18.7783     3.0047     3.3443    17.6038     3.4977 
   H  46   20.1632    19.1632     2.4604     3.0011    17.9533     3.4977 
   H  47    3.0047     3.3443    19.7776    18.7783     3.4977    17.6038 
   H  48    2.4604     3.0011    20.1632    19.1632     3.4977    17.9533 
   H  49    3.4597     3.3425    18.3216    17.3235     2.8114    16.1769 
   H  50    3.3425     3.4597    19.1173    18.1191     3.2657    16.9683 
   H  51   18.3216    17.3235     3.4597     3.3425    16.1769     2.8114 
   H  52   19.1173    18.1191     3.3425     3.4597    16.9683     3.2657 
   H  53   18.8953    17.9049     0.5573     0.6200    16.5763     2.1242 
   H  54   18.0898    17.1023     1.4158     0.6201    15.7598     1.6789 
   H  55   17.7539    16.7602     1.5680     0.6201    15.4536     0.8901 
   H  56   19.8169    18.8219     0.6200     1.5679    17.5232     2.8243 
   H  57   19.6923    18.7027     0.6201     1.4158    17.3691     2.9036 
   H  58   18.8220    17.8317     0.6201     0.5572    16.5028     2.0631 
   H  59    0.5573     0.6200    18.8953    17.9049     2.1242    16.5763 
   H  60    1.4158     0.6201    18.0898    17.1023     1.6789    15.7598 
   H  61    1.5680     0.6201    17.7539    16.7602     0.8901    15.4536 
   H  62    0.6200     1.5679    19.8169    18.8219     2.8243    17.5232 
   H  63    0.6201     1.4158    19.6923    18.7027     2.9036    17.3691 
   H  64    0.6201     0.5572    18.8220    17.8317     2.0631    16.5028 
   H  65   17.0704    16.0776     2.2456     1.2564    14.7649     0.6200 
   H  66    2.2456     1.2564    17.0704    16.0776     0.6200    14.7649 
   H  67   16.6448    15.6448     3.4477     2.7933    14.4445     1.4956 
   H  68   16.4447    15.4465     4.2136     3.6354    14.3005     2.3716 
   H  69   17.3042    16.3066     3.9082     3.5256    15.1698     2.5558 
   H  70    3.4477     2.7933    16.6448    15.6448     1.4956    14.4445 
   H  71    4.2136     3.6354    16.4447    15.4465     2.3716    14.3005 
   H  72    3.9082     3.5256    17.3042    16.3066     2.5558    15.1698 
   H  73   16.0904    15.0905     3.6800     2.8890    13.8703     1.4158 
   H  74    3.6800     2.8890    16.0904    15.0905     1.4158    13.8703 
   H  75    3.3468     2.3479    16.0182    15.0299     1.4955    13.6928 
   H  76   16.0182    15.0299     3.3468     2.3479    13.6928     1.4955 
   H  77   15.5126    14.5326     4.0352     3.0585    13.1623     2.3715 
   H  78   14.7929    13.8067     4.5861     3.5866    12.4610     2.5558 
   H  79    4.0352     3.0585    15.5126    14.5326     2.3715    13.1623 
   H  80    4.5861     3.5866    14.7929    13.8067     2.5558    12.4610 
   H  81   14.3585    13.3587     5.2225     4.3145    12.1401     2.8292 
   H  82    5.2225     4.3145    14.3585    13.3587     2.8292    12.1401 
   H  83   13.6358    12.6473     5.7015     4.7026    11.3139     3.5191 
   H  84    5.7015     4.7026    13.6358    12.6473     3.5191    11.3139 
   H  85   12.6268    11.6270     6.8561     5.9061    10.4108     4.4726 
   H  86    6.8561     5.9061    12.6268    11.6270     4.4726    10.4108 
   H  87   12.6025    11.6218     6.8095     5.8097    10.2566     4.6841 
   H  88   12.1316    11.1651     7.4664     6.4723     9.7593     5.4428 
   H  89    6.8095     5.8097    12.6025    11.6218     4.6841    10.2566 
   H  90    7.4664     6.4723    12.1316    11.1651     5.4428     9.7593 
   H  91   11.3869    10.4108     8.0493     7.0495     9.0317     5.9014 
   H  92    8.0493     7.0495    11.3869    10.4108     5.9014     9.0317 
   H  93    8.5288     7.5598    10.8951     9.8954     6.1648     8.6824 
   H  94   10.8951     9.8954     8.5288     7.5598     8.6824     6.1648 
   H  95    9.1636     8.1640    10.2211     9.2422     6.9559     7.8743 
   H  96   10.2211     9.2422     9.1636     8.1640     7.8743     6.9559 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20   15.1327     0.0000 
   C  21    1.7320    14.0000     0.0000 
   C  22   14.0000     1.7320    13.0000     0.0000 
   C  23   13.0767     2.6457    12.1244     1.0000     0.0000 
   C  24    2.6457    13.0767     1.0000    12.1244    11.2695     0.0000 
   C  25    3.4641    13.0000     1.7320    12.1656    11.3579     1.0000 
   C  26   13.0000     3.4641    12.1656     1.7320     1.0000    11.3579 
   C  27    3.0000    12.2882     1.7321    11.2694    10.3923     1.0001 
   C  28   12.2882     3.0000    11.2694     1.7321     1.0001    10.3923 
   C  29   11.3578     4.0000    10.3923     2.6458     1.7321     9.5394 
   C  30    4.0000    11.3578     2.6458    10.3923     9.5394     1.7321 
   C  31   10.5830     4.5826     9.5394     3.4641     2.6458     8.6603 
   C  32    4.5826    10.5830     3.4641     9.5394     8.6603     2.6458 
   C  33    5.5677     9.6437     4.3589     8.6603     7.8103     3.4641 
   C  34    9.6437     5.5677     8.6603     4.3589     3.4641     7.8103 
   C  35    9.5394     6.0000     8.7178     4.5826     3.6055     7.9373 
   C  36    6.0000     9.5394     4.5826     8.7178     7.9373     3.6055 
   C  37    8.8881     6.2450     7.8102     5.1962     4.3590     6.9282 
   C  38    6.2450     8.8881     5.1962     7.8102     6.9282     4.3590 
   C  39    7.2111     7.9372     6.0828     6.9282     6.0828     5.1962 
   C  40    7.9372     7.2111     6.9282     6.0828     5.1962     6.0828 
   H  41   18.0545     3.4977    17.0759     4.0761     4.9779    16.1995 
   H  42   17.5897     3.4977    16.6667     3.7220     4.5429    15.8112 
   H  43    3.4977    18.0545     4.0761    17.0759    16.1995     4.9779 
   H  44    3.4977    17.5897     3.7220    16.6667    15.8112     4.5429 
   H  45   17.8948     2.8113    16.7961     4.0023     4.9968    15.8796 
   H  46   18.1629     3.2657    17.1218     4.1713     5.1331    16.2237 
   H  47    2.8113    17.8948     4.0023    16.7961    15.8796     4.9968 
   H  48    3.2657    18.1629     4.1713    17.1218    16.2237     5.1331 
   H  49    1.4156    16.5406     2.9561    15.3902    14.4594     3.9399 
   H  50    2.1829    17.3154     3.5889    16.1774    15.2494     4.5875 
   H  51   16.5406     1.4156    15.3902     2.9561     3.9399    14.4594 
   H  52   17.3154     2.1829    16.1774     3.5889     4.5875    15.2494 
   H  53   16.4946     3.6354    15.6696     3.1229     3.6932    14.8543 
   H  54   15.6448     3.5257    14.8449     2.6113     3.0021    14.0420 
   H  55   15.4464     2.6488    14.5621     1.8847     2.4900    13.7262 
   H  56   17.5169     3.7684    16.6347     3.7853     4.5352    15.7947 
   H  57   17.2648     4.2477    16.4584     3.9034     4.4985    15.6486 
   H  58   16.4207     3.6000    15.5959     3.0608     3.6233    14.7808 
   H  59    3.6354    16.4946     3.1229    15.6696    14.8543     3.6932 
   H  60    3.5257    15.6448     2.6113    14.8449    14.0420     3.0021 
   H  61    2.6488    15.4464     1.8847    14.5621    13.7262     2.4900 
   H  62    3.7684    17.5169     3.7853    16.6347    15.7947     4.5352 
   H  63    4.2477    17.2648     3.9034    16.4584    15.6486     4.4985 
   H  64    3.6000    16.4207     3.0608    15.5959    14.7808     3.6233 
   H  65   14.7487     2.6200    13.8703     1.4158     1.8396    13.0386 
   H  66    2.6200    14.7487     1.4158    13.8703    13.0386     1.8396 
   H  67   14.7138     0.6200    13.6252     1.1121     2.0403    12.7169 
   H  68   14.6882     0.6200    13.5183     1.8397     2.6008    12.5843 
   H  69   15.5650     0.6200    14.3918     2.3520     3.2566    13.4555 
   H  70    0.6200    14.7138     1.1121    13.6252    12.7169     2.0403 
   H  71    0.6200    14.6882     1.8397    13.5183    12.5843     2.6008 
   H  72    0.6200    15.5650     2.3520    14.3918    13.4555     3.2566 
   H  73   14.1019     1.2346    13.0386     0.6200     1.4158    12.1402 
   H  74    1.2346    14.1019     0.6200    13.0386    12.1402     1.4158 
   H  75    3.1995    13.6196     1.5200    12.7836    11.9727     1.1766 
   H  76   13.6196     3.1995    12.7836     1.5200     1.1766    11.9727 
   H  77   12.9910     4.0130    12.2321     2.2901     1.6200    11.4563 
   H  78   12.3805     3.8121    11.5478     2.1114     1.1766    10.7436 
   H  79    4.0130    12.9910     2.2901    12.2321    11.4563     1.6200 
   H  80    3.8121    12.3805     2.1114    11.5478    10.7436     1.1766 
   H  81   12.4042     2.7431    11.3139     1.8397     1.4158    10.4108 
   H  82    2.7431    12.4042     1.8397    11.3139    10.4108     1.4158 
   H  83   11.2926     4.3433    10.4108     2.8292     1.8397     9.5919 
   H  84    4.3433    11.2926     2.8292    10.4108     9.5919     1.8397 
   H  85   10.7175     4.4186     9.5919     3.5191     2.8292     8.6825 
   H  86    4.4186    10.7175     3.5191     9.5919     8.6825     2.8292 
   H  87   10.1586     5.4718     9.3340     4.0019     3.0148     8.5470 
   H  88    9.5271     6.3328     8.8105     4.8212     3.8242     8.0775 
   H  89    5.4718    10.1586     4.0019     9.3340     8.5470     3.0148 
   H  90    6.3328     9.5271     4.8212     8.8105     8.0775     3.8242 
   H  91    8.9203     6.5442     8.1022     5.1724     4.2047     7.3294 
   H  92    6.5442     8.9203     5.1724     8.1022     7.3294     4.2047 
   H  93    6.1257     9.0478     5.2331     7.8743     6.9559     4.4727 
   H  94    9.0478     6.1257     7.8743     5.2331     4.4727     6.9559 
   H  95    7.4070     7.8437     6.1648     6.9559     6.1648     5.2331 
   H  96    7.8437     7.4070     6.9559     6.1648     5.2331     6.1648 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   11.5326     0.0000 
   C  27    1.7321    10.4403     0.0000 
   C  28   10.4403     1.7321     9.5393     0.0000 
   C  29    9.6437     2.0000     8.6602     1.0000     0.0000 
   C  30    2.0000     9.6437     1.0000     8.6602     7.8102     0.0000 
   C  31    8.7178     3.0000     7.8102     1.7320     1.0000     6.9282 
   C  32    3.0000     8.7178     1.7320     7.8102     6.9282     1.0000 
   C  33    3.6055     7.9373     2.6457     6.9282     6.0828     1.7320 
   C  34    7.9373     3.6055     6.9282     2.6457     1.7320     6.0828 
   C  35    8.1854     3.4641     7.0000     2.9999     2.0000     6.2450 
   C  36    3.4641     8.1854     2.9999     7.0000     6.2450     2.0000 
   C  37    7.0000     4.5826     6.0827     3.4641     2.6458     5.1961 
   C  38    4.5826     7.0000     3.4641     6.0827     5.1961     2.6458 
   C  39    5.2915     6.2450     4.3589     5.1961     4.3589     3.4641 
   C  40    6.2450     5.2915     5.1961     4.3589     3.4641     4.3589 
   H  41   16.2237     5.1957    15.3450     5.8078     6.7004    14.4674 
   H  42   15.8796     4.6338    14.9346     5.4395     6.2747    14.0805 
   H  43    5.1957    16.2237     5.8078    15.3450    14.4674     6.7004 
   H  44    4.6338    15.8796     5.4395    14.9346    14.0805     6.2747 
   H  45   15.8112     5.4894    15.0789     5.6350     6.6108    14.1571 
   H  46   16.1995     5.4894    15.3961     5.8750     6.8165    14.4945 
   H  47    5.4894    15.8112     5.6350    15.0789    14.1571     6.6108 
   H  48    5.4894    16.1995     5.8750    15.3961    14.4945     6.8165 
   H  49    4.6339    14.3570     4.3998    13.6835    12.7457     5.3984 
   H  50    5.1957    15.1524     5.1246    14.4682    13.5338     6.1177 
   H  51   14.3570     4.6339    13.6835     4.3998     5.3984    12.7457 
   H  52   15.1524     5.1957    14.4682     5.1246     6.1177    13.5338 
   H  53   15.0000     3.5054    13.9430     4.6777     5.3636    13.1347 
   H  54   14.2121     2.6845    13.1216     4.0017     4.6051    12.3282 
   H  55   13.8391     2.4674    12.8315     3.4584     4.1962    12.0000 
   H  56   15.8929     4.5228    14.9037     5.4700     6.2578    14.0670 
   H  57   15.8015     4.2931    14.7334     5.4812     6.1679    13.9310 
   H  58   14.9273     3.4316    13.8693     4.6087     5.2915    13.0614 
   H  59    3.5054    15.0000     4.6777    13.9430    13.1347     5.3636 
   H  60    2.6845    14.2121     4.0017    13.1216    12.3282     4.6051 
   H  61    2.4674    13.8391     3.4584    12.8315    12.0000     4.1962 
   H  62    4.5228    15.8929     5.4700    14.9037    14.0670     6.2578 
   H  63    4.2931    15.8015     5.4812    14.7334    13.9310     6.1679 
   H  64    3.4316    14.9273     4.6087    13.8693    13.0614     5.2915 
   H  65   13.1623     1.7732    12.1401     2.8292     3.5191    11.3139 
   H  66    1.7732    13.1623     2.8292    12.1401    11.3139     3.5191 
   H  67   12.6805     2.8441    11.9046     2.4825     3.4769    10.9906 
   H  68   12.4798     3.5191    11.8154     2.7431     3.7289    10.8731 
   H  69   13.3408     4.0840    12.6905     3.5505     4.5475    11.7463 
   H  70    2.8441    12.6805     2.4825    11.9046    10.9906     3.4769 
   H  71    3.5191    12.4798     2.7431    11.8154    10.8731     3.7289 
   H  72    4.0840    13.3408     3.5505    12.6905    11.7463     4.5475 
   H  73   12.1304     2.2901    11.3139     1.8397     2.8292    10.4108 
   H  74    2.2901    12.1304     1.8397    11.3139    10.4108     2.8292 
   H  75    0.6200    12.1386     2.1115    11.0576    10.2566     2.5559 
   H  76   12.1386     0.6200    11.0576     2.1115     2.5559    10.2566 
   H  77   11.6827     0.6200    10.5178     2.2901     2.3716     9.7593 
   H  78   10.9282     0.6200     9.8233     1.5201     1.4956     9.0317 
   H  79    0.6200    11.6827     2.2901    10.5178     9.7593     2.3716 
   H  80    0.6200    10.9282     1.5201     9.8233     9.0317     1.4956 
   H  81   10.3992     2.2901     9.5918     0.6200     1.4158     8.6824 
   H  82    2.2901    10.3992     0.6200     9.5918     8.6824     1.4158 
   H  83    9.7593     1.7733     8.6824     1.4158     0.6200     7.8743 
   H  84    1.7733     9.7593     1.4158     8.6824     7.8743     0.6200 
   H  85    8.6686     3.3533     7.8743     1.8396     1.4158     6.9559 
   H  86    3.3533     8.6686     1.8396     7.8743     6.9559     1.4158 
   H  87    8.7778     2.8441     7.6142     2.4824     1.4955     6.8485 
   H  88    8.3956     3.5191     7.1151     3.3532     2.3715     6.4222 
   H  89    2.8441     8.7778     2.4824     7.6142     6.8485     1.4955 
   H  90    3.5191     8.3956     3.3532     7.1151     6.4222     2.3715 
   H  91    7.5974     4.0841     6.3870     3.5504     2.5558     5.6451 
   H  92    4.0841     7.5974     3.5504     6.3870     5.6451     2.5558 
   H  93    4.8213     6.9386     3.5191     6.1647     5.2330     2.8292 
   H  94    6.9386     4.8213     6.1647     3.5191     2.8292     5.2330 
   H  95    5.2101     6.4222     4.4726     5.2330     4.4726     3.5191 
   H  96    6.4222     5.2101     5.2330     4.4726     3.5191     4.4726 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    6.0828     0.0000 
   C  33    5.1962     1.0000     0.0000 
   C  34    1.0000     5.1962     4.3590     0.0000 
   C  35    1.7320     5.2915     4.5826     1.0000     0.0000 
   C  36    5.2915     1.7320     1.0000     4.5826     5.0001     0.0000 
   C  37    1.7321     4.3589     3.4641     1.0001     1.7321     3.6055 
   C  38    4.3589     1.7321     1.0001     3.4641     3.6055     1.7321 
   C  39    3.4641     2.6458     1.7321     2.6458     3.0000     2.0000 
   C  40    2.6458     3.4641     2.6458     1.7321     2.0000     3.0000 
   H  41    7.5396    13.6146    12.7355     8.4267     8.5572    12.7662 
   H  42    7.1639    13.2027    12.3501     8.0066     8.0586    12.4375 
   H  43   13.6146     7.5396     8.4267    12.7355    12.7662     8.5572 
   H  44   13.2027     7.1639     8.0066    12.3501    12.4375     8.0586 
   H  45    7.3135    13.3656    12.4375     8.2726     8.5791    12.3501 
   H  46    7.5914    13.6721    12.7662     8.5193     8.7386    12.7355 
   H  47   13.3656     7.3135     8.2726    12.4375    12.3501     8.5791 
   H  48   13.6721     7.5914     8.5193    12.7662    12.7355     8.7386 
   H  49   11.9842     5.9981     6.9829    11.0379    10.9035     7.3967 
   H  50   12.7651     6.7558     7.7334    11.8230    11.6976     8.1090 
   H  51    5.9981    11.9842    11.0379     6.9829     7.3967    10.9035 
   H  52    6.7558    12.7651    11.8230     7.7334     8.1090    11.6976 
   H  53    6.3252    12.2180    11.4190     7.0637     6.9673    11.6080 
   H  54    5.5863    11.4011    10.6203     6.2770     6.1315    10.8442 
   H  55    5.1350    11.1013    10.2758     5.9174     5.9079    10.4261 
   H  56    7.1772    13.1730    12.3406     7.9845     7.9775    12.4660 
   H  57    7.1308    13.0103    12.2175     7.8644     7.7487    12.4126 
   H  58    6.2540    12.1445    11.3459     6.9908     6.8934    11.5361 
   H  59   12.2180     6.3252     7.0637    11.4190    11.6080     6.9673 
   H  60   11.4011     5.5863     6.2770    10.6203    10.8442     6.1315 
   H  61   11.1013     5.1350     5.9174    10.2758    10.4261     5.9079 
   H  62   13.1730     7.1772     7.9845    12.3406    12.4660     7.9775 
   H  63   13.0103     7.1308     7.8644    12.2175    12.4126     7.7487 
   H  64   12.1445     6.2540     6.9908    11.3459    11.5361     6.8934 
   H  65    4.4726    10.4108     9.5919     5.2330     5.2100     9.7593 
   H  66   10.4108     4.4726     5.2330     9.5919     9.7593     5.2100 
   H  67    4.1339    10.1879     9.2665     5.1005     5.4718     9.2164 
   H  68    4.2029    10.1225     9.1698     5.2004     5.7153     9.0258 
   H  69    5.0675    10.9989    10.0450     6.0624     6.5442     9.8908 
   H  70   10.1879     4.1339     5.1005     9.2665     9.2164     5.4718 
   H  71   10.1225     4.2029     5.2004     9.1698     9.0258     5.7153 
   H  72   10.9989     5.0675     6.0624    10.0450     9.8908     6.5442 
   H  73    3.5191     9.5919     8.6825     4.4726     4.8212     8.6686 
   H  74    9.5919     3.5191     4.4726     8.6825     8.6686     4.8212 
   H  75    9.3340     3.5505     4.2047     8.5470     8.7778     4.0841 
   H  76    3.5505     9.3340     8.5470     4.2047     4.0841     8.7778 
   H  77    3.3533     8.8105     8.0775     3.8242     3.5191     8.3956 
   H  78    2.4825     8.1022     7.3294     3.0148     2.8441     7.5974 
   H  79    8.8105     3.3533     3.8242     8.0775     8.3956     3.5191 
   H  80    8.1022     2.4825     3.0148     7.3294     7.5974     2.8441 
   H  81    1.8396     7.8743     6.9559     2.8291     3.3532     6.9386 
   H  82    7.8743     1.8396     2.8291     6.9559     6.9386     3.3532 
   H  83    1.4158     6.9559     6.1648     1.8396     1.7732     6.4222 
   H  84    6.9559     1.4158     1.8396     6.1648     6.4222     1.7732 
   H  85    0.6200     6.1648     5.2331     1.4158     2.2901     5.2101 
   H  86    6.1648     0.6200     1.4158     5.2331     5.2101     2.2901 
   H  87    1.5200     5.9015     5.1725     1.1766     0.6200     5.5457 
   H  88    2.2901     5.4429     4.8213     1.6200     0.6200     5.3371 
   H  89    5.9015     1.5200     1.1766     5.1725     5.5457     0.6200 
   H  90    5.4429     2.2901     1.6200     4.8213     5.3371     0.6200 
   H  91    2.1114     4.6842     4.0019     1.1766     0.6200     4.4739 
   H  92    4.6842     2.1114     1.1766     4.0019     4.4739     0.6200 
   H  93    4.4726     1.8397     1.4158     3.5191     3.4849     2.2901 
   H  94    1.8397     4.4726     3.5191     1.4158     2.2901     3.4849 
   H  95    3.5191     2.8292     1.8397     2.8292     3.3533     1.7733 
   H  96    2.8292     3.5191     2.8292     1.8397     1.7733     3.3533 

              C  37      C  38      C  39      C  40      H  41      H  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    2.6457     0.0000 
   C  39    1.7320     1.0000     0.0000 
   C  40    1.0000     1.7320     1.0000     0.0000 
   H  41    9.2715    11.8844    11.0034    10.1551     0.0000 
   H  42    8.8914    11.4706    10.6203     9.7387     0.7971     0.0000 
   H  43   11.8844     9.2715    10.1551    11.0034    21.1519    20.7412 
   H  44   11.4706     8.8914     9.7387    10.6203    20.7412    20.3535 
   H  45    9.0123    11.6578    10.7217     9.9585     1.5278     2.1652 
   H  46    9.3137    11.9503    11.0390    10.2321     0.7846     1.5278 
   H  47   11.6578     9.0123     9.9585    10.7217    20.8565    20.3978 
   H  48   11.9503     9.3137    10.2321    11.0390    21.1930    20.7570 
   H  49   10.2956     7.6549     8.6245     9.3389    19.4370    18.9607 
   H  50   11.0710     8.4275     9.3908    10.1194    20.2273    19.7540 
   H  51    7.6549    10.2956     9.3389     8.6245     2.6464     2.9532 
   H  52    8.4275    11.0710    10.1194     9.3908     2.1562     2.6463 
   H  53    8.0085    10.4953     9.7090     8.7763     2.2922     1.5098 
   H  54    7.2389     9.6845     8.9216     7.9747     3.0449     2.3039 
   H  55    6.8393     9.3718     8.5547     7.6435     2.7699     2.1673 
   H  56    8.8941    11.4427    10.6159     9.7131     1.2440     0.4752 
   H  57    8.8122    11.2898    10.5100     9.5737     2.1183     1.3473 
   H  58    7.9363    10.4219     9.6362     8.7031     2.3394     1.5616 
   H  59   10.4953     8.0085     8.7763     9.7090    19.7290    19.3814 
   H  60    9.6845     7.2389     7.9747     8.9216    18.8976    18.5611 
   H  61    9.3718     6.8393     7.6435     8.5547    18.6316    18.2631 
   H  62   11.4427     8.8941     9.7131    10.6159    20.7050    20.3334 
   H  63   11.2898     8.8122     9.5737    10.5100    20.5141    20.1726 
   H  64   10.4219     7.9363     8.7031     9.6362    19.6553    19.3079 
   H  65    6.1648     8.6824     7.8743     6.9559     3.4355     2.8610 
   H  66    8.6824     6.1648     6.9559     7.8743    17.9384    17.5737 
   H  67    5.8323     8.4774     7.5459     6.7780     3.6212     3.4820 
   H  68    5.8142     8.4454     7.4796     6.7959     4.1143     4.1142 
   H  69    6.6898     9.3220     8.3563     7.6699     3.4820     3.6211 
   H  70    8.4774     5.8323     6.7780     7.5459    17.6910    17.2450 
   H  71    8.4454     5.8142     6.7959     7.4796    17.5614    17.0832 
   H  72    9.3220     6.6898     7.6699     8.3563    18.4318    17.9492 
   H  73    5.2331     7.8743     6.9559     6.1648     4.1068     3.8678 
   H  74    7.8743     5.2331     6.1648     6.9559    17.1092    16.6752 
   H  75    7.6142     5.1725     5.9015     6.8485    16.8428    16.4966 
   H  76    5.1725     7.6142     6.8485     5.9015     4.6101     4.0280 
   H  77    4.8213     7.1151     6.4222     5.4429     5.4197     4.7952 
   H  78    4.0019     6.3870     5.6451     4.6842     5.7884     5.2430 
   H  79    7.1151     4.8213     5.4429     6.4222    16.2695    15.9533 
   H  80    6.3870     4.0019     4.6842     5.6451    15.6046    15.2628 
   H  81    3.5191     6.1647     5.2330     4.4726     5.8294     5.5403 
   H  82    6.1647     3.5191     4.4726     5.2330    15.3821    14.9441 
   H  83    2.8292     5.2330     4.4726     3.5191     6.7848     6.2972 
   H  84    5.2330     2.8292     3.5191     4.4726    14.4761    14.1197 
   H  85    1.8397     4.4726     3.5191     2.8292     7.5562     7.2408 
   H  86    4.4726     1.8397     2.8292     3.5191    13.6563    13.2133 
   H  87    2.1115     4.2047     3.5505     2.5559     7.9491     7.4430 
   H  88    2.2901     3.8242     3.3533     2.3716     8.6950     8.1525 
   H  89    4.2047     2.1115     2.5559     3.5505    13.3848    13.0527 
   H  90    3.8242     2.2901     2.3716     3.3533    12.8245    12.5315 
   H  91    1.5201     3.0148     2.4825     1.4956     9.1669     8.6748 
   H  92    3.0148     1.5201     1.4956     2.4825    12.1478    11.8228 
   H  93    2.8291     0.6200     1.4158     1.8396    11.9322    11.4829 
   H  94    0.6200     2.8291     1.8396     1.4158     9.2850     8.9534 
   H  95    1.8396     1.4158     0.6200     1.4158    11.0148    10.6723 
   H  96    1.4158     1.8396     1.4158     0.6200    10.2110     9.7531 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7971     0.0000 
   H  45   20.8565    20.3978     0.0000 
   H  46   21.1930    20.7570     0.7971     0.0000 
   H  47    1.5278     2.1652    20.6701    20.9535     0.0000 
   H  48    0.7846     1.5278    20.9535    21.2629     0.7971     0.0000 
   H  49    2.6464     2.9532    19.2974    19.5567     1.5278     2.1653 
   H  50    2.1562     2.6463    20.0774    20.3423     0.7847     1.5279 
   H  51   19.4370    18.9607     1.5278     2.1653    19.2974    19.5567 
   H  52   20.2273    19.7540     0.7847     1.5279    20.0774    20.3423 
   H  53   19.7290    19.3814     3.4209     2.9443    19.3058    19.7021 
   H  54   18.8976    18.5611     3.9641     3.6114    18.4555    18.8601 
   H  55   18.6316    18.2631     3.3816     3.1803    18.2565    18.6292 
   H  56   20.7050    20.3334     2.6389     1.9973    20.3274    20.7028 
   H  57   20.5141    20.1726     3.4959     2.8737    20.0754    20.4796 
   H  58   19.6553    19.3079     3.4441     2.9811    19.2319    19.6283 
   H  59    2.2922     1.5098    19.3058    19.7021     3.4209     2.9443 
   H  60    3.0449     2.3039    18.4555    18.8601     3.9641     3.6114 
   H  61    2.7699     2.1673    18.2565    18.6292     3.3816     3.1803 
   H  62    1.2440     0.4752    20.3274    20.7028     2.6389     1.9973 
   H  63    2.1183     1.3473    20.0754    20.4796     3.4959     2.8737 
   H  64    2.3394     1.5616    19.2319    19.6283     3.4441     2.9811 
   H  65   17.9384    17.5737     3.8988     3.7875    17.5589    17.9332 
   H  66    3.4355     2.8610    17.5589    17.9332     3.8988     3.7875 
   H  67   17.6910    17.2450     3.1810     3.5194    17.4897    17.7778 
   H  68   17.5614    17.0832     3.3547     3.8564    17.4357    17.6865 
   H  69   18.4318    17.9492     2.5410     3.1165    18.3119    18.5606 
   H  70    3.6212     3.4820    17.4897    17.7778     3.1810     3.5194 
   H  71    4.1143     4.1142    17.4357    17.6865     3.3547     3.8564 
   H  72    3.4820     3.6211    18.3119    18.5606     2.5410     3.1165 
   H  73   17.1092    16.6752     3.8000     4.0838    16.8842    17.1833 
   H  74    4.1068     3.8678    16.8842    17.1833     3.8000     4.0838 
   H  75    4.6101     4.0280    16.4308    16.8194     4.9885     4.9388 
   H  76   16.8428    16.4966     4.9885     4.9388    16.4308    16.8194 
   H  77   16.2695    15.9533     5.8600     5.7866    15.8005    16.2154 
   H  78   15.6046    15.2628     6.0125     6.0535    15.1917    15.5795 
   H  79    5.4197     4.7952    15.8005    16.2154     5.8600     5.7866 
   H  80    5.7884     5.2430    15.1917    15.5795     6.0125     6.0535 
   H  81   15.3821    14.9441     5.4932     5.8132    15.1770    15.4645 
   H  82    5.8294     5.5403    15.1770    15.4645     5.4932     5.8132 
   H  83   14.4761    14.1197     6.8315     6.9696    14.1013    14.4696 
   H  84    6.7848     6.2972    14.1013    14.4696     6.8315     6.9696 
   H  85   13.6563    13.2133     7.2048     7.5437    13.4762    13.7491 
   H  86    7.5562     7.2408    13.4762    13.7491     7.2048     7.5437 
   H  87   13.3848    13.0527     8.0036     8.1441    12.9695    13.3554 
   H  88   12.8245    12.5315     8.8209     8.9283    12.3365    12.7558 
   H  89    7.9491     7.4430    12.9695    13.3554     8.0036     8.1441 
   H  90    8.6950     8.1525    12.3365    12.7558     8.8209     8.9283 
   H  91   12.1478    11.8228     9.1604     9.3365    11.7309    12.1155 
   H  92    9.1669     8.6748    11.7309    12.1155     9.1604     9.3365 
   H  93    9.2850     8.9534    11.7844    12.0383     8.9244     9.2749 
   H  94   11.9322    11.4829     8.9244     9.2749    11.7844    12.0383 
   H  95   10.2110     9.7531    10.6479    11.0063    10.1064    10.3347 
   H  96   11.0148    10.6723    10.1064    10.3347    10.6479    11.0063 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7971     0.0000 
   H  51   17.9498    18.7230     0.0000 
   H  52   18.7230    19.4982     0.7971     0.0000 
   H  53   17.8428    18.6391     3.6769     3.6689     0.0000 
   H  54   16.9876    17.7843     3.8998     4.0619     0.8768     0.0000 
   H  55   16.8110    17.6054     3.0975     3.3537     1.2400     0.8769 
   H  56   18.8783    19.6732     3.3537     3.0975     1.1766     2.0319 
   H  57   18.6068    19.4035     4.0620     3.8998     0.8057     1.6200 
   H  58   17.7690    18.5653     3.6689     3.6769     0.0739     0.8056 
   H  59    3.6769     3.6689    17.8428    18.6391    18.4818    17.6836 
   H  60    3.8998     4.0619    16.9876    17.7843    17.6836    16.8932 
   H  61    3.0975     3.3537    16.8110    17.6054    17.3308    16.5236 
   H  62    3.3537     3.0975    18.8783    19.6732    19.3893    18.5770 
   H  63    4.0620     3.8998    18.6068    19.4035    19.2809    18.4846 
   H  64    3.6689     3.6769    17.7690    18.5653    18.4088    17.6108 
   H  65   16.1130    16.9074     3.3701     3.7575     1.8543     1.2097 
   H  66    3.3701     3.7575    16.1130    16.9074    16.6505    15.8466 
   H  67   16.1169    16.8965     1.9300     2.6421     3.3596     3.1197 
   H  68   16.0997    16.8694     1.8777     2.6726     4.1796     3.9894 
   H  69   16.9765    17.7461     1.0254     1.8217     3.9893     3.9872 
   H  70    1.9300     2.6421    16.1169    16.8965    16.1828    15.3408 
   H  71    1.8777     2.6726    16.0997    16.8694    15.9671    15.1131 
   H  72    1.0254     1.8217    16.9765    17.7461    16.8234    15.9671 
   H  73   15.5020    16.2838     2.5834     3.2887     3.4950     3.0924 
   H  74    2.5834     3.2887    15.5020    16.2838    15.6353    14.7992 
   H  75    4.2492     4.7529    14.9757    15.7712    15.6105    14.8196 
   H  76   14.9757    15.7712     4.2492     4.7529     2.8864     2.0736 
   H  77   14.3283    15.1252     5.1153     5.6293     3.5290     2.6630 
   H  78   13.7385    14.5337     5.0654     5.6718     4.1248     3.2988 
   H  79    5.1153     5.6293    14.3283    15.1252    15.1229    14.3516 
   H  80    5.0654     5.6718    13.7385    14.5337    14.3904    13.6058 
   H  81   13.8091    14.5870     4.1585     4.9190     4.9339     4.3310 
   H  82    4.1585     4.9190    13.8091    14.5870    13.9044    13.0699 
   H  83   12.6645    13.4573     5.7093     6.3937     5.2626     4.4555 
   H  84    5.7093     6.3937    12.6645    13.4573    13.2281    12.4390 
   H  85   12.1274    12.8997     5.8234     6.6013     6.5169     5.8268 
   H  86    5.8234     6.6013    12.1274    12.8997    12.1740    11.3415 
   H  87   11.5211    12.3156     6.8556     7.5535     6.3475     5.5129 
   H  88   10.8656    11.6623     7.7074     8.3934     6.9792     6.1220 
   H  89    6.8556     7.5535    11.5211    12.3156    12.2121    11.4428 
   H  90    7.7074     8.3934    10.8656    11.6623    11.7664    11.0264 
   H  91   10.2861    11.0799     7.9494     8.6733     7.5871     6.7502 
   H  92    7.9494     8.6733    10.2861    11.0799    11.0056    10.2482 
   H  93    7.5188     8.3041    10.4620    11.2259    10.4440     9.6142 
   H  94   10.4620    11.2259     7.5188     8.3041     8.1608     7.4260 
   H  95    8.8224     9.5729     9.2277    10.0169     9.8350     9.0741 
   H  96    9.2277    10.0169     8.8224     9.5729     8.7150     7.8893 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    2.0739     0.0000 
   H  57    2.0319     0.8769     0.0000 
   H  58    1.1766     1.2400     0.8769     0.0000 
   H  59   17.3308    19.3893    19.2809    18.4088     0.0000 
   H  60   16.5236    18.5770    18.4846    17.6108     0.8768     0.0000 
   H  61   16.1930    18.2578    18.1272    17.2575     1.2400     0.8769 
   H  62   18.2578    20.3244    20.1839    19.3159     1.1766     2.0319 
   H  63   18.1272    20.1839    20.0806    19.2080     0.8057     1.6200 
   H  64   17.2575    19.3159    19.2080    18.3358     0.0739     0.8056 
   H  65    0.6980     2.7697     2.6600     1.7840    16.6505    15.8466 
   H  66   15.5083    17.5715    17.4479    16.5773     1.8543     1.2097 
   H  67    2.2554     3.6820     4.0434     3.3144    16.1828    15.3408 
   H  68    3.1196     4.3753     4.8235     4.1393    15.9671    15.1131 
   H  69    3.1168     3.9513     4.5283     3.9628    16.8234    15.9671 
   H  70   15.1130    17.1862    16.9602    16.1089     3.3596     3.1197 
   H  71   14.9333    17.0008    16.7326    15.8933     4.1796     3.9894 
   H  72   15.7971    17.8629    17.5859    16.7496     3.9893     3.9872 
   H  73    2.2904     4.0028     4.2404     3.4396    15.6353    14.7992 
   H  74   14.5516    16.6255    16.4172    15.5614     3.4950     3.0924 
   H  75   14.4525    16.5079    16.4113    15.5377     2.8864     2.0736 
   H  76    1.8608     3.9063     3.6763     2.8126    15.6105    14.8196 
   H  77    2.6501     4.6251     4.2796     3.4557    15.1229    14.3516 
   H  78    3.0793     5.1402     4.9107     4.0509    14.3904    13.6058 
   H  79   13.9447    15.9850    15.9270    15.0508     3.5290     2.6630 
   H  80   13.2263    15.2784    15.1924    14.3178     4.1248     3.2988 
   H  81    3.6952     5.6227     5.7260     4.8686    13.9044    13.0699 
   H  82   12.8196    14.8934    14.6873    13.8306     4.9339     4.3310 
   H  83    4.1597     6.2334     6.0570     5.1891    13.2281    12.4390 
   H  84   12.0703    14.1271    14.0291    13.1553     5.2626     4.4555 
   H  85    5.2973     7.2943     7.3207     6.4478    12.1740    11.3415 
   H  86   11.0876    13.1615    12.9581    12.1002     6.5169     5.8268 
   H  87    5.2899     7.3585     7.1296     6.2737    12.2121    11.4428 
   H  88    5.9865     8.0359     7.7412     6.9055    11.7664    11.0264 
   H  89   11.0346    13.0779    13.0163    12.1400     6.3475     5.5129 
   H  90   10.5659    12.5831    12.5721    11.6954     6.9792     6.1220 
   H  91    6.5263     8.5966     8.3679     7.5133    11.0056    10.2482 
   H  92    9.8191    11.8549    11.8107    10.9339     7.5871     6.7502 
   H  93    9.3555    11.4294    11.2296    10.3702     8.1608     7.4260 
   H  94    6.9620     8.9888     8.9666     8.0900    10.4440     9.6142 
   H  95    8.6532    10.6953    10.6398     9.7631     8.7150     7.8893 
   H  96    7.6236     9.6974     9.5026     8.6412     9.8350     9.0741 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    2.0739     0.0000 
   H  63    2.0319     0.8769     0.0000 
   H  64    1.1766     1.2400     0.8769     0.0000 
   H  65   15.5083    17.5715    17.4479    16.5773     0.0000 
   H  66    0.6980     2.7697     2.6600     1.7840    14.8249     0.0000 
   H  67   15.1130    17.1862    16.9602    16.1089     2.1060    14.4165 
   H  68   14.9333    17.0008    16.7326    15.8933     2.9788    14.2353 
   H  69   15.7971    17.8629    17.5859    16.7496     3.1721    15.0990 
   H  70    2.2554     3.6820     4.0434     3.3144    14.4165     2.1060 
   H  71    3.1196     4.3753     4.8235     4.1393    14.2353     2.9788 
   H  72    3.1168     3.9513     4.5283     3.9628    15.0990     3.1721 
   H  73   14.5516    16.6255    16.4172    15.5614     1.9436    13.8564 
   H  74    2.2904     4.0028     4.2404     3.4396    13.8564     1.9436 
   H  75    1.8608     3.9063     3.6763     2.8126    13.7745     1.1751 
   H  76   14.4525    16.5079    16.4113    15.5377     1.1751    13.7745 
   H  77   13.9447    15.9850    15.9270    15.0508     2.0000    13.2762 
   H  78   13.2263    15.2784    15.1924    14.3178     2.3825    12.5507 
   H  79    2.6501     4.6251     4.2796     3.4557    13.2762     2.0000 
   H  80    3.0793     5.1402     4.9107     4.0509    12.5507     2.3825 
   H  81   12.8196    14.8934    14.6873    13.8306     3.1269    12.1243 
   H  82    3.6952     5.6227     5.7260     4.8686    12.1243     3.1269 
   H  83   12.0703    14.1271    14.0291    13.1553     3.4641    11.3920 
   H  84    4.1597     6.2334     6.0570     5.1891    11.3920     3.4641 
   H  85   11.0876    13.1615    12.9581    12.1002     4.6666    10.3923 
   H  86    5.2973     7.2943     7.3207     6.4478    10.3923     4.6666 
   H  87   11.0346    13.0779    13.0163    12.1400     4.5919    10.3654 
   H  88   10.5659    12.5831    12.5721    11.6954     5.2915     9.9125 
   H  89    5.2899     7.3585     7.1296     6.2737    10.3654     4.5919 
   H  90    5.9865     8.0359     7.7412     6.9055     9.9125     5.2915 
   H  91    9.8191    11.8549    11.8107    10.9339     5.8285     9.1551 
   H  92    6.5263     8.5966     8.3679     7.5133     9.1551     5.8285 
   H  93    6.9620     8.9888     8.9666     8.0900     8.6602     6.3070 
   H  94    9.3555    11.4294    11.2296    10.3702     6.3070     8.6602 
   H  95    7.6236     9.6974     9.5026     8.6412     7.9861     6.9282 
   H  96    8.6532    10.6953    10.6398     9.7631     6.9282     7.9861 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    0.8768     0.0000 
   H  69    1.2399     0.8768     0.0000 
   H  70   14.3096    14.2563    15.1327     0.0000 
   H  71   14.2563    14.2569    15.1332     0.8768     0.0000 
   H  72   15.1327    15.1332    16.0096     1.2399     0.8768     0.0000 
   H  73    0.6533     1.2347     1.8414    13.7056    13.6380    14.5139 
   H  74   13.7056    13.6380    14.5139     0.6533     1.2347     1.8414 
   H  75   13.3005    13.0986    13.9590     2.5904     3.3596     3.8121 
   H  76    2.5904     3.3596     3.8121    13.3005    13.0986    13.9590 
   H  77    3.3952     4.1077     4.6314    12.6974    12.4549    13.3069 
   H  78    3.1995     3.7750     4.4267    12.0605    11.8612    12.7227 
   H  79   12.6974    12.4549    13.3069     3.3952     4.1077     4.6314 
   H  80   12.0605    11.8612    12.7227     3.1995     3.7750     4.4267 
   H  81    2.3137     2.3801     3.2349    11.9965    11.9521    12.8288 
   H  82   11.9965    11.9521    12.8288     2.3137     2.3801     3.2349 
   H  83    3.7799     4.1417     4.9204    10.9537    10.7872    11.6547 
   H  84   10.9537    10.7872    11.6547     3.7799     4.1417     4.9204 
   H  85    4.0347     3.9755     4.8516    10.2952    10.2817    11.1582 
   H  86   10.2952    10.2817    11.1582     4.0347     3.9755     4.8516 
   H  87    4.9261     5.2222     6.0319     9.8364     9.6435    10.5076 
   H  88    5.7775     6.0953     6.8991     9.2397     8.9914     9.8451 
   H  89    9.8364     9.6435    10.5076     4.9261     5.2222     6.0319 
   H  90    9.2397     8.9914     9.8451     5.7775     6.0953     6.8991 
   H  91    6.0319     6.2311     7.0738     8.5964     8.4085     9.2744 
   H  92    8.5964     8.4085     9.2744     6.0319     6.2311     7.0738 
   H  93    8.6061     8.6356     9.5095     5.7624     5.6520     6.5278 
   H  94    5.7624     5.6520     6.5278     8.6061     8.6356     9.5095 
   H  95    7.4921     7.3542     8.2271     6.9383     7.0309     7.8967 
   H  96    6.9383     7.0309     7.8967     7.4921     7.3542     8.2271 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74   13.1064     0.0000 
   H  75   12.7501     2.1342     0.0000 
   H  76    2.1342    12.7501    12.7460     0.0000 
   H  77    2.8736    12.1656    12.2813     0.8768     0.0000 
   H  78    2.5889    11.5107    11.5326     1.2400     0.8768     0.0000 
   H  79   12.1656     2.8736     0.8768    12.2813    11.8634    11.0865 
   H  80   11.5107     2.5889     1.2400    11.5326    11.0865    10.3256 
   H  81    1.7321    11.3920    11.0189     2.5890     2.8736     2.1342 
   H  82   11.3920     1.7321     2.5890    11.0189    10.4403     9.7797 
   H  83    3.1269    10.3923    10.3654     2.3826     2.0000     1.1752 
   H  84   10.3923     3.1269     2.3826    10.3654     9.9125     9.1551 
   H  85    3.4641     9.6839     9.2881     3.8536     3.7759     2.8995 
   H  86    9.6839     3.4641     3.8536     9.2881     8.7178     8.0493 
   H  87    4.2731     9.2881     9.3738     3.4641     2.9109     2.2241 
   H  88    5.1242     8.7178     8.9741     4.1309     3.4641     2.9109 
   H  89    9.2881     4.2731     3.4641     9.3738     8.9741     8.1854 
   H  90    8.7178     5.1242     4.1309     8.9741     8.6452     7.8234 
   H  91    5.3850     8.0493     8.1854     4.7041     4.1309     3.4641 
   H  92    8.0493     5.3850     4.7041     8.1854     7.8234     7.0149 
   H  93    7.9861     5.1962     5.3851     7.5578     7.0000     6.3196 
   H  94    5.1962     7.9861     7.5578     5.3851     5.1243     4.2732 
   H  95    6.9282     6.3070     5.8286     7.0104     6.6527     5.8405 
   H  96    6.3070     6.9282     7.0104     5.8286     5.2915     4.5920 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    0.8768     0.0000 
   H  81   10.4403     9.7797     0.0000 
   H  82    2.8736     2.1342     9.6838     0.0000 
   H  83    9.9125     9.1551     1.9436     8.6602     0.0000 
   H  84    2.0000     1.1752     8.6602     1.9436     7.9861     0.0000 
   H  85    8.7178     8.0493     1.7320     7.9861     1.9436     6.9282 
   H  86    3.7759     2.8995     7.9861     1.7320     6.9282     1.9436 
   H  87    8.9741     8.1854     2.8995     7.5578     1.1751     7.0104 
   H  88    8.6452     7.8234     3.7759     7.0000     2.0000     6.6527 
   H  89    2.9109     2.2241     7.5578     2.8995     7.0104     1.1751 
   H  90    3.4641     2.9109     7.0000     3.7759     6.6527     2.0000 
   H  91    7.8234     7.0149     3.8536     6.3196     2.3825     5.8405 
   H  92    4.1309     3.4641     6.3196     3.8536     5.8405     2.3825 
   H  93    5.1243     4.2732     6.3069     3.4641     5.1961     3.1269 
   H  94    7.0000     6.3196     3.4641     6.3069     3.1269     5.1961 
   H  95    5.2915     4.5920     5.1961     4.6666     4.6666     3.4641 
   H  96    6.6527     5.8405     4.6666     5.1961     3.4641     4.6666 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    6.3070     0.0000 
   H  87    2.1342     5.8286     0.0000 
   H  88    2.8736     5.2915     0.8768     0.0000 
   H  89    5.8286     2.1342     6.1055     5.8514     0.0000 
   H  90    5.2915     2.8736     5.8514     5.7217     0.8768     0.0000 
   H  91    2.5889     4.5920     1.2400     0.8768     5.0001     4.8477 
   H  92    4.5920     2.5889     5.0001     4.8477     1.2400     0.8768 
   H  93    4.6666     1.7321     4.1017     3.6055     2.5890     2.8736 
   H  94    1.7321     4.6666     2.5890     2.8736     4.1017     3.6055 
   H  95    3.4641     3.1269     3.8536     3.7759     2.3826     2.0000 
   H  96    3.1269     3.4641     2.3826     2.0000     3.8536     3.7759 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92    3.9748     0.0000 
   H  93    2.8694     2.1342     0.0000 
   H  94    2.1342     2.8694     3.1269     0.0000 
   H  95    2.8995     1.1752     1.9436     1.7320     0.0000 
   H  96    1.1752     2.8995     1.7320     1.9436     1.9436     0.0000 




ATOMIC CHARGES
   C   1   -0.0098906804
   C   2   -0.0098906804
   C   3   -0.0435822248
   C   4   -0.0435822248
   C   5   -0.0485715660
   C   6   -0.0485715660
   C   7   -0.0427245167
   C   8   -0.0427245167
   C   9   -0.0314124362
   C  10   -0.0314124362
   C  11   -0.0689330234
   C  12   -0.0689330234
   C  13   -0.0557917256
   C  14   -0.0557917256
   C  15   -0.0557917256
   C  16   -0.0557917256
   C  17   -0.0578581070
   C  18   -0.0578581070
   C  19   -0.0432209566
   C  20   -0.0432209566
   C  21   -0.0585644146
   C  22   -0.0585644146
   C  23   -0.0504370214
   C  24   -0.0504370214
   C  25   -0.0397086455
   C  26   -0.0397086455
   C  27   -0.0588290883
   C  28   -0.0588290883
   C  29   -0.0612621268
   C  30   -0.0612621268
   C  31   -0.0588291925
   C  32   -0.0588291925
   C  33   -0.0504454546
   C  34   -0.0504454546
   C  35   -0.0397087524
   C  36   -0.0397087524
   C  37   -0.0588372026
   C  38   -0.0588372026
   C  39   -0.0615020263
   C  40   -0.0615020263
   H  41    0.0273672920
   H  42    0.0273672920
   H  43    0.0273672920
   H  44    0.0273672920
   H  45    0.0268564918
   H  46    0.0268564918
   H  47    0.0268564918
   H  48    0.0268564918
   H  49    0.0310077126
   H  50    0.0310077126
   H  51    0.0310077126
   H  52    0.0310077126
   H  53    0.0238124496
   H  54    0.0238124496
   H  55    0.0238124496
   H  56    0.0238124496
   H  57    0.0238124496
   H  58    0.0238124496
   H  59    0.0238124496
   H  60    0.0238124496
   H  61    0.0238124496
   H  62    0.0238124496
   H  63    0.0238124496
   H  64    0.0238124496
   H  65    0.0620533341
   H  66    0.0620533341
   H  67    0.0274534691
   H  68    0.0274534691
   H  69    0.0274534691
   H  70    0.0274534691
   H  71    0.0274534691
   H  72    0.0274534691
   H  73    0.0620285245
   H  74    0.0620285245
   H  75    0.0277532867
   H  76    0.0277532867
   H  77    0.0277532867
   H  78    0.0277532867
   H  79    0.0277532867
   H  80    0.0277532867
   H  81    0.0620201178
   H  82    0.0620201178
   H  83    0.0617745222
   H  84    0.0617745222
   H  85    0.0620201174
   H  86    0.0620201174
   H  87    0.0277532863
   H  88    0.0277532863
   H  89    0.0277532863
   H  90    0.0277532863
   H  91    0.0277532863
   H  92    0.0277532863
   H  93    0.0620200164
   H  94    0.0620200164
   H  95    0.0617664382
   H  96    0.0617664382


BOND ANGLES
   4    1    8   C3   C3   C2    120.001
   4    1   15   C3   C3   C3     90.000
   4    1   16   C3   C3   C3    150.001
   8    1   15   C2   C3   C3    149.999
   8    1   16   C2   C3   C3     89.997
  15    1   16   C3   C3   C3     60.001
   3    2    7   C3   C3   C2    119.999
   3    2   13   C3   C3   C3     90.000
   3    2   14   C3   C3   C3    150.001
   7    2   13   C2   C3   C3    150.001
   7    2   14   C2   C3   C3     90.000
  13    2   14   C3   C3   C3     60.001
   2    3    5   C3   C3   C3    120.001
   2    3   43   C3   C3   HC    160.002
   2    3   44   C3   C3   HC     79.995
   5    3   43   C3   C3   HC     79.997
   5    3   44   C3   C3   HC    160.004
  43    3   44   HC   C3   HC     80.007
   1    4    6   C3   C3   C3    120.001
   1    4   41   C3   C3   HC    160.002
   1    4   42   C3   C3   HC     79.995
   6    4   41   C3   C3   HC     79.997
   6    4   42   C3   C3   HC    160.004
  41    4   42   HC   C3   HC     80.007
   3    5    9   C3   C3   C3    120.001
   3    5   47   C3   C3   HC    160.004
   3    5   48   C3   C3   HC     79.997
   9    5   47   C3   C3   HC     79.995
   9    5   48   C3   C3   HC    160.002
  47    5   48   HC   C3   HC     80.007
   4    6   10   C3   C3   C3    120.001
   4    6   45   C3   C3   HC    160.004
   4    6   46   C3   C3   HC     79.997
  10    6   45   C3   C3   HC     79.995
  10    6   46   C3   C3   HC    160.002
  45    6   46   HC   C3   HC     80.007
   2    7   11   C3   C2   C2    120.001
   2    7   17   C3   C2   C2    120.001
  11    7   17   C2   C2   C2    119.998
   1    8   12   C3   C2   C2    119.998
   1    8   18   C3   C2   C2    120.001
  12    8   18   C2   C2   C2    120.001
   5    9   11   C3   C3   C2    119.999
   5    9   49   C3   C3   HC    160.003
   5    9   50   C3   C3   HC     80.006
  11    9   49   C2   C3   HC     79.999
  11    9   50   C2   C3   HC    159.996
  49    9   50   HC   C3   HC     79.997
   6   10   12   C3   C3   C2    120.001
   6   10   51   C3   C3   HC    160.003
   6   10   52   C3   C3   HC     80.006
  12   10   51   C2   C3   HC     79.996
  12   10   52   C2   C3   HC    159.993
  51   10   52   HC   C3   HC     79.997
   7   11    9   C2   C2   C3    120.001
   7   11   19   C2   C2   C3    119.998
   9   11   19   C3   C2   C3    120.001
   8   12   10   C2   C2   C3    119.998
   8   12   20   C2   C2   C3    120.001
  10   12   20   C3   C2   C3    120.001
   2   13   62   C3   C3   HC     89.999
   2   13   63   C3   C3   HC    179.974
   2   13   64   C3   C3   HC     89.996
  62   13   63   HC   C3   HC     90.005
  62   13   64   HC   C3   HC    179.974
  63   13   64   HC   C3   HC     90.000
   2   14   59   C3   C3   HC     90.001
   2   14   60   C3   C3   HC    179.974
   2   14   61   C3   C3   HC     90.004
  59   14   60   HC   C3   HC     89.995
  59   14   61   HC   C3   HC    179.974
  60   14   61   HC   C3   HC     90.000
   1   15   56   C3   C3   HC     89.999
   1   15   57   C3   C3   HC    179.974
   1   15   58   C3   C3   HC     89.996
  56   15   57   HC   C3   HC     90.005
  56   15   58   HC   C3   HC    179.974
  57   15   58   HC   C3   HC     90.000
   1   16   53   C3   C3   HC     90.001
   1   16   54   C3   C3   HC    179.974
   1   16   55   C3   C3   HC     90.004
  53   16   54   HC   C3   HC     89.995
  53   16   55   HC   C3   HC    179.974
  54   16   55   HC   C3   HC     90.000
   7   17   21   C2   C2   C2    120.001
   7   17   66   C2   C2   HC    119.998
  21   17   66   C2   C2   HC    120.001
   8   18   22   C2   C2   C2    119.999
   8   18   65   C2   C2   HC    120.001
  22   18   65   C2   C2   HC    120.001
  11   19   70   C2   C3   HC     90.004
  11   19   71   C2   C3   HC    179.974
  11   19   72   C2   C3   HC     89.996
  70   19   71   HC   C3   HC     90.000
  70   19   72   HC   C3   HC    179.974
  71   19   72   HC   C3   HC     90.000
  12   20   67   C2   C3   HC     90.001
  12   20   68   C2   C3   HC    179.974
  12   20   69   C2   C3   HC     89.999
  67   20   68   HC   C3   HC     90.000
  67   20   69   HC   C3   HC    179.974
  68   20   69   HC   C3   HC     90.000
  17   21   24   C2   C2   C2    119.999
  17   21   74   C2   C2   HC    120.001
  24   21   74   C2   C2   HC    120.001
  18   22   23   C2   C2   C2    119.999
  18   22   73   C2   C2   HC    120.001
  23   22   73   C2   C2   HC    120.001
  22   23   26   C2   C2   C3    120.001
  22   23   28   C2   C2   C2    120.001
  26   23   28   C3   C2   C2    119.998
  21   24   25   C2   C2   C3    120.001
  21   24   27   C2   C2   C2    120.001
  25   24   27   C3   C2   C2    119.998
  24   25   75   C2   C3   HC     90.000
  24   25   79   C2   C3   HC    179.974
  24   25   80   C2   C3   HC     90.000
  75   25   79   HC   C3   HC     90.000
  75   25   80   HC   C3   HC    179.974
  79   25   80   HC   C3   HC     90.000
  23   26   76   C2   C3   HC     90.000
  23   26   77   C2   C3   HC    179.974
  23   26   78   C2   C3   HC     90.000
  76   26   77   HC   C3   HC     90.000
  76   26   78   HC   C3   HC    179.974
  77   26   78   HC   C3   HC     90.000
  24   27   30   C2   C2   C2    120.001
  24   27   82   C2   C2   HC    119.998
  30   27   82   C2   C2   HC    120.001
  23   28   29   C2   C2   C2    120.001
  23   28   81   C2   C2   HC    119.998
  29   28   81   C2   C2   HC    120.001
  28   29   31   C2   C2   C2    119.999
  28   29   83   C2   C2   HC    120.001
  31   29   83   C2   C2   HC    120.001
  27   30   32   C2   C2   C2    119.999
  27   30   84   C2   C2   HC    120.001
  32   30   84   C2   C2   HC    120.001
  29   31   34   C2   C2   C2    119.999
  29   31   85   C2   C2   HC    120.001
  34   31   85   C2   C2   HC    120.001
  30   32   33   C2   C2   C2    119.999
  30   32   86   C2   C2   HC    120.001
  33   32   86   C2   C2   HC    120.001
  32   33   36   C2   C2   C3    120.001
  32   33   38   C2   C2   C2    120.001
  36   33   38   C3   C2   C2    119.998
  31   34   35   C2   C2   C3    120.001
  31   34   37   C2   C2   C2    120.001
  35   34   37   C3   C2   C2    119.998
  34   35   87   C2   C3   HC     90.000
  34   35   88   C2   C3   HC    179.974
  34   35   91   C2   C3   HC     90.000
  87   35   88   HC   C3   HC     90.000
  87   35   91   HC   C3   HC    179.974
  88   35   91   HC   C3   HC     90.000
  33   36   89   C2   C3   HC     90.000
  33   36   90   C2   C3   HC    179.974
  33   36   92   C2   C3   HC     90.000
  89   36   90   HC   C3   HC     90.000
  89   36   92   HC   C3   HC    179.974
  90   36   92   HC   C3   HC     90.000
  34   37   40   C2   C2   C2    120.001
  34   37   94   C2   C2   HC    119.998
  40   37   94   C2   C2   HC    120.001
  33   38   39   C2   C2   C2    120.001
  33   38   93   C2   C2   HC    119.998
  39   38   93   C2   C2   HC    120.001
  38   39   40   C2   C2   C2    119.999
  38   39   95   C2   C2   HC    120.001
  40   39   95   C2   C2   HC    120.001
  37   40   39   C2   C2   C2    119.999
  37   40   96   C2   C2   HC    120.001
  39   40   96   C2   C2   HC    120.001


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