* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    317     586
    1     0 S   NP   _N1_     1    29.09083    94.97450   -18.72818
    2     1 S   H    _HN1     2     1.02781    70.14783   -66.48229
    3     1 S   H    _H1_     3     1.02961   103.73922    38.29335
    4     1 S   H    _H2_     4     1.02840    41.28425   138.67102
    5     1 S   CT   _CA1     5     1.50096   142.13504  -167.44758
    6     5 S   HC   _HA1     6     1.09566   105.32341    24.62188
    7     5 S   CO3  _C1_     7     1.53913   112.16912   -95.79238
    8     7 S   O2Z  _O11     8     1.26372   115.06392   -48.03011
    9     7 S   O2Z  _O12     9     1.26233   114.90855   131.13058
   10     5 S   CT   _CB1    10     1.53080   107.43222   142.63234
   11    10 S   HC   HB11    11     1.09817   109.69716   -49.32923
   12    10 S   HC   HB12    12     1.09840   110.23611    67.26050
   13    10 S   CT   _CG1    13     1.53040   112.59543  -170.42381
   14    13 S   HC   HG11    14     1.09576   110.25436   -55.14984
   15    13 S   HC   HG12    15     1.09590   110.34129    64.05093
   16    13 S   C    _CD1    16     1.51768   111.76414  -175.60163
   17    16 S   O    _OE1    17     1.22745   123.07742   -17.88972
   18    16 S   N    _N2_    18     1.38558   111.79331   162.16993
   19    18 S   H    _HN2    19     1.01586   119.05744     3.77963
   20    18 S   CT1  _CA2    20     1.46227   123.36123  -172.25846
   21    20 S   HC   _HA2    21     1.09727   109.35532   -18.66827
   22    20 S   C    _C2_    22     1.53335   108.37282  -134.67808
   23    22 S   O    _O2_    23     1.23003   122.29353  -145.66575
   24    20 S   CT   _CB2    32     1.53933   111.06052   103.28668
   25    24 S   HC   HB21    33     1.09149   109.02408    57.01536
   26    24 S   HC   HB22    34     1.09402   109.79502   174.76801
   27    22 S   N    _N3_    24     1.38522   113.27763    41.71604
   28    27 S   H    _HN3    25     1.01540   118.88740    -0.56821
   29    24 S   S    _SG2    35     1.83299   111.13201   -66.11175
   30    27 S   CT   _CA3    26     1.45442   123.39863   175.10195
   31    30 S   HC   HA31    27     1.09527   109.16622    25.59437
   32    30 S   HC   HA32    28     1.09493   107.13651   142.58822
   33    29 S   CT   _C22    36     1.90976   104.80655   154.84831
   34    30 S   CO3  _C3_    29     1.52931   113.17984   -97.83341
   35    34 S   O2Z  _O31    30     1.26397   115.43768   -43.75948
   36    34 S   O2Z  _O32    31     1.26361   114.96197   137.19128
   37    33 S   CT   _C9_    37     1.56083   102.34030   155.28606
   38    37 S   HC   _H34    38     1.09784   110.81687   -51.99118
   39    37 S   HC   _H35    39     1.09465   111.76340  -170.35643
   40    33 S   CT   _C17    54     1.56753   111.19183    37.79467
   41    40 S   HC   _H47    55     1.09543   108.81712   -60.84054
   42    37 S   CO4  _C6_    40     1.51682   114.17688    69.01013
   43    42 S   O    _O25    41     1.23026   121.48374  -156.78728
   44    40 S   CT   _C24    56     1.54119   114.96909    58.93606
   45    44 S   HC   _H52    57     1.09501   111.69700    68.02054
   46    44 S   HC   _H53    58     1.09164   112.96039   -53.79666
   47    44 S   HC   _H54    59     1.09623   110.07224  -173.16907
   48    42 S   CM   _C4_    42     1.47720   119.01049    25.79609
   49    48 S   HC   _H32    43     1.08364   118.02039  -179.80021
   50    48 S   CM   _C5_    44     1.33672   120.41174     1.65529
   51    50 S   HC   _H33    45     1.08936   117.12578   177.75650
   52    33 S   CT   _C19    46     1.60492   112.57262   -88.01105
   53    52 S   CT   _C16    47     1.59186   109.98324   178.05439
   54    53 S   HC   _H46    48     1.10072   106.17632    59.83072
   55    52 S   CT   _C25    95     1.54770   111.37733    54.08699
   56    55 S   HC   _H55    96     1.09298   112.35004    62.88258
   57    55 S   HC   _H56    97     1.09200   111.98038   -59.26493
   58    55 S   HC   _H57    98     1.09204   112.95267  -175.24124
   59    53 S   CT   _C15    49     1.55535   112.18152   -54.85469
   60    59 S   HC   _H45    50     1.09469   109.78906   -64.10048
   61    53 S   CT   _C18    73     1.56587   116.66735   173.85876
   62    61 S   HC   _H48    74     1.09620   108.74386   -60.44602
   63    59 S   CT   _C12    51     1.53413   111.11497    55.06537
   64    63 S   HC   _H40    52     1.09751   109.62618    70.14504
   65    63 S   HC   _H41    53     1.09806   108.73854  -174.73683
   66    59 S   CT   _C14    60     1.54150   108.94156   175.66474
   67    66 S   HC   _H44    61     1.10303   105.86524   -59.47746
   68    61 S   OH   _O28    75     1.41896   112.22132    57.14251
   69    68 S   HO   _H63    76     0.97246   107.84653  -173.12077
   70    66 S   CT   _C10    62     1.52361   118.41972  -177.81761
   71    70 S   HC   _H36    63     1.09483   112.17498    75.85729
   72    70 S   HC   _H37    64     1.09588   111.42625   -44.83370
   73    70 S   CT   _C11    65     1.53945   104.24122  -164.01300
   74    73 S   HC   _H38    66     1.09520   108.47681   132.56529
   75    73 S   HC   _H39    67     1.09618   109.78335  -110.48766
   76    73 S   CT   _C20    68     1.55663   106.76736    10.42881
   77    66 S   CT   _C21    69     1.54718   114.48316    59.50159
   78    76 S   CO4  _C7_    81     1.53895   112.84034   144.60576
   79    78 S   O    _O26    82     1.23282   121.53874    -3.98698
   80    76 S   OH   _O29    93     1.42820   107.92027   -98.46447
   81    80 S   HO   _H64    94     0.97304   108.22428   -55.98854
   82    77 S   CT   _C13    70     1.54510   106.36281   -60.99105
   83    82 S   HC   _H42    71     1.09696   110.10641   -64.75940
   84    82 S   HC   _H43    72     1.09464   109.91847   177.98987
   85    77 S   CT   _C26    77     1.55197   113.00897    61.46327
   86    85 S   HC   _H58    78     1.09513   112.46215    70.39784
   87    85 S   HC   _H59    79     1.09158   113.22913   -49.72570
   88    85 S   HC   _H60    80     1.09542   110.74908  -170.17737
   89    78 S   CT   _C27    83     1.52047   117.60191   175.83820
   90    89 S   HC   _H61    84     1.09258   108.80859    75.36820
   91    89 S   HC   _H62    85     1.09370   109.66254   -46.70679
   92    89 S   OS   _O30    86     1.43046   108.63883  -165.92812
   93    92 S   CO4  _C8_    87     1.36258   115.23454  -178.28674
   94    93 S   O    _O27    88     1.22340   126.18564    -0.06256
   95    93 S   CT   _C23    89     1.49832   109.63419   179.94065
   96    95 S   HC   _H49    90     1.09289   109.83432   -60.92395
   97    95 S   HC   _H50    91     1.09380   109.35689  -179.96044
   98    95 S   HC   _H51    92     1.09289   109.83514    60.99341
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  26   2   1   1  14   6   5  16   9   6   3   8   3   2   1   6
   3  10   3  14  21   9   5   2   1   1  17   8  11   6   6   2
   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5   4
   1   6   2   1   3   2   1   1   6   3   2   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    52    53    63    40    41    44    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    50    51    52    53    54    59    63    64    65    40    41    44    45    46    47    61    55    56    57    58  
   35    36  
   36  
    0  
   38    39    42    43    48    49    50    52    53    63    40    41    44    55  
   39    42    43    48    52    40  
   42    43    48    52    40  
   41    44    45    46    47    66    55    42    50    52    53    59    60    63    64    65  
   44    45    46    47    52    59    63    64    65  
   43    48    49    50    51    52  
   48    49    50  
   45    46    47    52    59    63    64    65  
   46    47    63  
   47    63  
   63  
   49    50    51    52    53    55  
   50    51    52  
   51    52    53    54    59    61    55    56    57    58  
   52    53    55  
   53    54    59    60    63    66    82    61    62    68    55    56    57    58  
   54    59    60    63    64    65    66    67    70    77    82    83    84    61    62    68    69    55    56    57    58  
   59    60    63    66    82    61    62    68    55  
   56    57    58    59    61  
   57    58  
   58  
    0  
   60    63    64    65    66    67    70    71    72    73    76    77    82    61    62    68    85  
   63    64    65    66    67    70    77    61  
   62    68    69    85    63    66    76    77    82    83    84  
   68    69    77    82    83    84  
   64    65    66    67    70    77  
   65    66  
   66  
   67    70    71    72    73    74    75    76    77    82    83    84    85    86    87    88    78    80  
   70    71    72    73    76    77    82    85  
   69    77    82    83    84  
   82  
   71    72    73    74    75    76    77    82    85    78    80  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77    82    85    78    79    89    80    81  
   75    76    77    78    80  
   76    77    78    80  
   77    82    83    84    85    86    87    88    78    79    89    90    91    92    80    81  
   82    83    84    85    86    87    88    78    79    89    80    81  
   79    89    90    91    92    93    80    81    82    85  
   89    90    91    92    80  
   81    82    85    89  
    0  
   83    84    85    86    87    88  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93    94    95  
   91    92    93  
   92    93  
   93    94    95    96    97    98  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    48   320.000  1.462
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   268.000  1.529
   52    55   268.000  1.529
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    77   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    78   317.000  1.522
   76    80   320.000  1.410
   77    82   268.000  1.529
   77    85   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    61   268.000  1.529
   61    62   340.000  1.090
   61    68   320.000  1.410
   68    69   553.000  0.945
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   78    79   570.000  1.229
   78    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   320.000  1.410
   92    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   80    81   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    52    50    70.00000  112.02700
   33    52    53    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    40    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    48    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    48    49    40.00000  117.72500
   42    48    50    65.00000  118.96000
   48    42    43    80.00000  123.72100
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    70.00000  112.02700
   50    52    55    70.00000  112.02700
   52    33    37    58.35000  112.70000
   52    50    51    35.00000  117.00000
   52    53    54    37.50000  110.70000
   52    53    59    58.35000  112.70000
   52    53    61    58.35000  112.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    63    58.35000  112.70000
   53    59    66    58.35000  112.70000
   53    61    82    58.35000  112.70000
   53    61    62    37.50000  110.70000
   53    61    68    50.00000  109.50000
   59    53    54    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    40    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    70    58.35000  112.70000
   59    66    77    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    40    41    37.50000  110.70000
   63    40    44    58.35000  112.70000
   65    63    64    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    63    64    37.50000  110.70000
   40    63    65    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    58.35000  112.70000
   66    77    76    58.35000  112.70000
   66    77    82    58.35000  112.70000
   66    77    85    58.35000  112.70000
   70    66    67    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    78    63.00000  111.10000
   73    76    80    50.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    82    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    78    79    80.00000  120.40000
   76    78    89    70.00000  116.00000
   76    80    81    55.00000  108.50000
   77    66    67    37.50000  110.70000
   77    66    70    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    61    58.35000  112.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   82    61    62    37.50000  110.70000
   82    61    68    50.00000  109.50000
   84    82    83    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    59    58.35000  112.70000
   61    82    83    37.50000  110.70000
   61    82    84    37.50000  110.70000
   61    68    69    55.00000  108.50000
   68    61    62    35.00000  109.50000
   85    77    82    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   78    76    77    63.00000  111.10000
   78    89    90    35.00000  109.50000
   78    89    91    35.00000  109.50000
   78    89    92    90.00000  108.74100
   89    78    79    80.00000  120.40000
   89    92    93    83.00000  116.90000
   91    89    90    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    91    35.00000  109.50000
   92    93    94    83.00000  123.40000
   92    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   80    76    77    50.00000  109.50000
   80    76    78    90.00000  109.61100
   55    52    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
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   80    76    77    82   0.86500  1.0 1.0
   80    76    77    82  -0.17500 -1.0 2.0
   80    76    77    82   0.20800  1.0 3.0
   80    76    77    85   0.86500  1.0 1.0
   80    76    77    85  -0.17500 -1.0 2.0
   80    76    77    85   0.20800  1.0 3.0
   80    76    78    79   0.30150 -1.0 2.0
   80    76    78    89   0.55300  1.0 1.0
   80    76    78    89   1.25850 -1.0 2.0
   80    76    78    89  -0.23600  1.0 3.0
   55    52    53    54   0.15000  1.0 3.0
   55    52    53    59   0.56750  1.0 1.0
   55    52    53    59  -0.07550 -1.0 2.0
   55    52    53    59   0.20000  1.0 3.0
   55    52    53    61   0.56750  1.0 1.0
   55    52    53    61  -0.07550 -1.0 2.0
   55    52    53    61   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    48    42    43  10.50000 -1.0 2.0
   42    49    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   76    89    78    79  10.50000 -1.0 2.0
   92    95    93    94  10.50000 -1.0 2.0
END
