* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    204     414
    1     0 S   NP   _N1_     1    28.66975    94.53581   -19.93122
    2     1 S   H    _HN1     2     1.02953    92.34976    37.95663
    3     1 S   H    _H1_     3     1.02835    32.87451   156.24290
    4     1 S   H    _H2_     4     1.02771    85.63811   -70.33728
    5     1 S   CT   _CA1     5     1.50217   143.17493   167.39852
    6     5 S   HC   _HA1     6     1.09581   105.12952    52.55134
    7     5 S   CO3  _C1_     7     1.53758   112.51749   -67.27660
    8     7 S   O2Z  _O11     8     1.26344   114.96616   -37.49838
    9     7 S   O2Z  _O12     9     1.26235   114.93446   141.40471
   10     5 S   CT   _CB1    10     1.53043   107.29647   170.26007
   11    10 S   HC   HB11    11     1.09816   108.97843   -51.14257
   12    10 S   HC   HB12    12     1.09794   110.44819    65.19486
   13    10 S   CT   _CG1    13     1.53060   113.02919  -172.46162
   14    13 S   HC   HG11    14     1.09565   110.24882   -66.80362
   15    13 S   HC   HG12    15     1.09632   110.20899    52.50562
   16    13 S   C    _CD1    16     1.51805   112.11263   172.41781
   17    16 S   O    _OE1    17     1.22735   123.10384   -10.15399
   18    16 S   N    _N2_    18     1.38625   112.02263   170.70458
   19    18 S   H    _HN2    19     1.01595   119.10740     1.15860
   20    18 S   CT1  _CA2    20     1.46308   123.06850  -179.13362
   21    20 S   HC   _HA2    21     1.09737   109.32408   -10.83431
   22    20 S   C    _C2_    22     1.53365   108.50820  -126.55232
   23    22 S   O    _O2_    23     1.23017   122.18504  -145.83360
   24    20 S   CT   _CB2    32     1.53432   111.58559   111.00826
   25    24 S   HC   HB21    33     1.09415   109.77470    60.24386
   26    24 S   HC   HB22    34     1.09538   110.44968   178.06346
   27    22 S   N    _N3_    24     1.38489   113.39678    41.49608
   28    27 S   H    _HN3    25     1.01523   118.93330    -0.54930
   29    24 S   S    _SG2    35     1.82823   111.57456   -62.78073
   30    27 S   CT   _CA3    26     1.45450   123.42127   175.04781
   31    30 S   HC   HA31    27     1.09526   109.18583    25.19364
   32    30 S   HC   HA32    28     1.09493   107.12835   142.20335
   33    29 S   CT   _C13    36     1.83338   100.24568   145.60138
   34    33 S   HC   _H3_    37     1.09571   108.71203    50.98425
   35    30 S   CO3  _C3_    29     1.52938   113.17899   -98.24060
   36    35 S   O2Z  _O31    30     1.26398   115.44591   -43.15785
   37    35 S   O2Z  _O32    31     1.26362   114.95111   137.77926
   38    33 S   CO4  _C6_    38     1.51546   106.68197   165.78638
   39    38 S   O    _O19    39     1.23257   120.47134   -89.41754
   40    38 S   CM   _C4_    40     1.50299   119.33238    87.61326
   41    40 S   CM   _C5_    41     1.34823   120.88251     9.71879
   42    40 S   CT   _C14    78     1.50456   113.93236  -168.17992
   43    42 S   HC   _H27    79     1.09509   110.15828   -67.31031
   44    42 S   HC   _H28    80     1.09140   113.66418   171.92263
   45    42 S   HC   _H29    81     1.09575   110.29745    52.39735
   46    41 S   CO4  _C7_    42     1.49996   119.97300     3.47063
   47    46 S   O    _O20    43     1.23129   120.84545  -170.49302
   48    41 S   CT   _C19    51     1.51518   124.91458  -178.02612
   49    48 S   HC   _H42    52     1.09742   110.01550  -147.64026
   50    48 S   HC   _H43    53     1.09253   110.02322   -33.58510
   51    33 S   CT   _C12    44     1.52114   113.21832   -72.16594
   52    51 S   HC   _H25    45     1.09628   112.02277    49.53395
   53    48 S   CM   _C8_    54     1.50410   111.40658    92.21770
   54    53 S   HC   _H23    55     1.09029   114.06486    55.16714
   55    51 S   OS   _O21    46     1.43097   110.73544   172.29393
   56    53 S   CM   _C10    56     1.34755   128.41414  -124.38980
   57    55 S   CT   _C18    47     1.42171   112.89895   -89.52834
   58    57 S   HC   _H39    48     1.09328   108.24624   178.44141
   59    57 S   HC   _H40    49     1.09346   111.04661    59.38184
   60    57 S   HC   _H41    50     1.09424   110.34208   -63.00413
   61    56 S   CT   _C15    57     1.50352   124.94895    -2.61135
   62    61 S   HC   _H30    58     1.09435   110.41799   107.96773
   63    61 S   HC   _H31    59     1.09196   113.36537   -13.23124
   64    61 S   HC   _H32    60     1.09539   110.16223  -132.39591
   65    56 S   CT   _C21    61     1.51844   119.70326   178.40713
   66    65 S   HC   _H46    62     1.09784   110.67328    10.53155
   67    65 S   HC   _H47    63     1.09760   108.50425   125.76317
   68    65 S   CT   _C20    64     1.53411   114.20925  -112.55856
   69    68 S   HC   _H44    65     1.09541   108.95137  -175.47714
   70    68 S   HC   _H45    66     1.09711   110.21259   -60.74382
   71    68 S   CM   _C9_    67     1.50456   113.15500    60.58410
   72    71 S   HC   _H24    68     1.08956   114.32669   -82.96104
   73    71 S   CM   _C11    69     1.34621   127.53874    98.38532
   74    73 S   CT   _C16    70     1.50523   120.46524   177.97764
   75    74 S   HC   _H33    71     1.09393   110.41268   120.30243
   76    74 S   HC   _H34    72     1.09518   112.40385     0.15702
   77    74 S   HC   _H35    73     1.09492   110.16233  -119.91715
   78    73 S   CT   _C17    74     1.50221   124.88552    -2.48585
   79    78 S   HC   _H36    75     1.09470   110.11453   112.63649
   80    78 S   HC   _H37    76     1.09490   110.17683  -128.00682
   81    78 S   HC   _H38    77     1.09266   113.32099    -8.53543
  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   9   5   4   3
  12   7   2   1   1  12   4  12  15   5   2   1   1   9   4   8
   4   3   6   2  10   3   4  11   3   2   1   1   7   3   2   1
   8   5   4   7   4   3  10   3   8   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    51    52    55    57    42  
   38    39    40    46    51    52    55  
   36    37  
   37  
    0  
   39    40    41    46    51    52    55    48    42    43    44    45  
   40    41    51    42  
   41    46    47    51    48    49    50    53    42    43    44    45  
   46    47    51    52    55    48    49    50    53    54    56    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    51    52    55    57    48    49    50    53  
   51    52    55    48  
   49    50    53    54    56    61    65    51  
   50    53    54    56  
   53    54    56  
   52    55    57    58    59    60  
   55    57  
   54    56    61    62    63    64    65    66    67    68  
   56    61    65  
   57    58    59    60  
   61    62    63    64    65    66    67    68    69    70    71  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.522
   33    51   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   317.000  1.510
   41    46   320.000  1.462
   41    48   317.000  1.510
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    56   549.000  1.340
   56    61   317.000  1.510
   56    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    51    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    51    46    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    42    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    46    65.00000  118.96000
   40    41    48    70.00000  124.00000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   41    46    47    80.00000  123.72100
   41    46    51    65.00000  118.62400
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    70.00000  110.12100
   46    51    52    35.00000  109.50000
   46    51    55    90.00000  108.74100
   51    33    34    37.50000  110.70000
   51    33    38    63.00000  111.10000
   51    46    47    80.00000  120.40000
   51    55    57    60.00000  109.50000
   55    51    52    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   48    41    46    65.00000  116.34900
   48    53    54    35.00000  117.00000
   48    53    56    70.00000  124.00000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    56    61    70.00000  124.00000
   53    56    65    70.00000  124.00000
   56    53    54    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    61    65.00000  117.92700
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    40    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    51    46   0.56750  1.0 1.0
   29    33    51    46  -0.07550 -1.0 2.0
   29    33    51    46   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   0.25700  1.0 1.0
   33    38    40    42   0.66200 -1.0 2.0
   33    38    40    42   0.04450  1.0 3.0
   33    51    55    57   0.06250  1.0 1.0
   33    51    55    57  -0.01100 -1.0 2.0
   33    51    55    57   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    46  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.23400  1.0 3.0
   38    33    51    46   0.11950  1.0 1.0
   38    33    51    46   0.20300 -1.0 2.0
   38    33    51    46  -0.70800  1.0 3.0
   38    33    51    52  -0.11250  1.0 3.0
   38    33    51    55  -0.09450  1.0 1.0
   38    33    51    55  -1.12950 -1.0 2.0
   38    33    51    55   0.54000  1.0 3.0
   38    40   -41    46   7.00000 -1.0 2.0
   38    40    41    48   7.00000 -1.0 2.0
   38    40    42    43   0.15000  1.0 3.0
   38    40    42    44   0.15000  1.0 3.0
   38    40    42    45   0.15000  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42  -0.64400  1.0 1.0
   39    38    40    42   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    51  -0.33500  1.0 1.0
   40    41    46    51   1.06600 -1.0 2.0
   40    41    46    51  -0.14000  1.0 3.0
   40    41    48    49   0.00000  1.0 1.0
   40    41    48    50   0.00000  1.0 1.0
   40    41    48    53  -0.28300  1.0 1.0
   40    41    48    53   0.26700 -1.0 2.0
   40    41    48    53  -0.63300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46   -51    33   0.65300  1.0 1.0
   41    46   -51    33  -0.03850 -1.0 2.0
   41    46   -51    33   0.33900  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    55   0.65300  1.0 1.0
   41    46    51    55  -0.03850 -1.0 2.0
   41    46    51    55   0.33900  1.0 3.0
   41    48    53    54   0.00000  1.0 1.0
   41    48    53    56  -0.28300  1.0 1.0
   41    48    53    56   0.26700 -1.0 2.0
   41    48    53    56  -0.63300  1.0 3.0
   46    41    48    49   0.15000  1.0 3.0
   46    41    48    50   0.15000  1.0 3.0
   46    41    48    53   0.09700  1.0 1.0
   46    41    48    53   0.15600 -1.0 2.0
   46    41    48    53  -0.50800  1.0 3.0
   46    51    55    57  -1.11000  1.0 1.0
   46    51    55    57   0.50250 -1.0 2.0
   46    51    55    57   0.47450  1.0 3.0
   47    46    51    33   0.30150 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    55   0.30150 -1.0 2.0
   51    33    38    39   0.30150 -1.0 2.0
   51    33   -38    40   0.65300  1.0 1.0
   51    33   -38    40  -0.03850 -1.0 2.0
   51    33   -38    40   0.33900  1.0 3.0
   51    55    57    58   0.37050  1.0 3.0
   51    55    57    59   0.37050  1.0 3.0
   51    55    57    60   0.37050  1.0 3.0
   52    51    55    57   0.37050  1.0 3.0
   48    41    46    47  -0.64400  1.0 1.0
   48    41    46    47   0.26850 -1.0 2.0
   48    41    46    51   0.25700  1.0 1.0
   48    41    46    51   0.66200 -1.0 2.0
   48    41    46    51   0.04450  1.0 3.0
   48    53    56    61   7.00000 -1.0 2.0
   48    53    56    65   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    56   0.00000  1.0 1.0
   50    48    53    54   0.33100  1.0 3.0
   50    48    53    56   0.00000  1.0 1.0
   53    56    61    62   0.00000  1.0 1.0
   53    56    61    63   0.00000  1.0 1.0
   53    56    61    64   0.00000  1.0 1.0
   53    56    65    66   0.00000  1.0 1.0
   53    56    65    67   0.00000  1.0 1.0
   53    56    65    68   0.09850  1.0 1.0
   53    56    65    68   0.15250 -1.0 2.0
   53    56    65    68  -0.50650  1.0 3.0
   54    53    56    61   7.00000 -1.0 2.0
   54    53    56    65   7.00000 -1.0 2.0
   56    65    68    69   0.15000  1.0 3.0
   56    65    68    70   0.15000  1.0 3.0
   56    65    68    71   0.31000  1.0 1.0
   56    65    68    71   0.14700 -1.0 2.0
   56    65    68    71   0.07550  1.0 3.0
   61    56    65    66   0.34800  1.0 3.0
   61    56    65    67   0.34800  1.0 3.0
   61    56    65    68   0.46850  1.0 1.0
   61    56    65    68   0.08550 -1.0 2.0
   61    56    65    68   0.09800  1.0 3.0
   65    56    61    62   0.34800  1.0 3.0
   65    56    61    63   0.34800  1.0 3.0
   65    56    61    64   0.34800  1.0 3.0
   65    68    71    72   0.00000  1.0 1.0
   65    68    71    73   0.09850  1.0 1.0
   65    68    71    73   0.15250 -1.0 2.0
   65    68    71    73  -0.50650  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   42    40    41    46   7.00000 -1.0 2.0
   42    40    41    48   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   46    48    41    40   1.10000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   48    54    53    56  15.00000 -1.0 2.0
   61    65    56    53  15.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
