* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    138    221     412
    1     0 S   NP   _N1_     1    29.53257    95.34826   -18.48128
    2     1 S   H    _HN1     2     1.02834    47.41511   138.09371
    3     1 S   H    _H1_     3     1.02784    70.44100   -81.71446
    4     1 S   H    _H2_     4     1.02954    92.42254    26.90725
    5     1 S   CT   _CA1     5     1.50108   153.62997   177.63016
    6     5 S   HC   _HA1     6     1.09561   105.29968    29.25765
    7     5 S   CO3  _C1_     7     1.53967   112.18318   -91.16483
    8     7 S   O2Z  _O11     8     1.26362   115.00265   -45.60736
    9     7 S   O2Z  _O12     9     1.26243   115.17835   133.60023
   10     5 S   CT   _CB1    10     1.53190   107.40871   147.44291
   11    10 S   HC   HB11    11     1.09805   109.92939   -46.98114
   12    10 S   HC   HB12    12     1.09816   110.33377    69.90026
   13    10 S   CT   _CG1    13     1.52830   112.15968  -167.84701
   14    13 S   HC   HG11    14     1.09406   110.14460   -55.47083
   15    13 S   HC   HG12    15     1.09608   110.03900    63.47350
   16    13 S   C    _CD1    16     1.51731   112.63576  -175.91817
   17    16 S   O    _OE1    17     1.22688   123.32840   -11.47238
   18    16 S   N    _N2_    18     1.38524   111.33395   168.91406
   19    18 S   H    _HN2    19     1.01521   118.53712     4.07948
   20    18 S   CT1  _CA2    20     1.46077   123.87959  -176.34264
   21    20 S   HC   _HA2    21     1.09689   109.60090   -20.28862
   22    20 S   C    _C2_    22     1.53248   106.43125  -136.43100
   23    22 S   O    _O2_    23     1.23003   122.83330  -132.79095
   24    20 S   CT   _CB2    32     1.53368   111.80018   102.67842
   25    24 S   HC   HB21    33     1.09454   109.62145    56.99371
   26    24 S   HC   HB22    34     1.09559   110.13967   174.33656
   27    22 S   N    _N3_    24     1.38429   113.04399    52.39707
   28    27 S   H    _HN3    25     1.01683   119.60051    -3.84104
   29    24 S   S    _SG2    35     1.82796   112.69679   -66.60230
   30    27 S   CT   _CA3    26     1.45321   122.83818   178.59138
   31    30 S   HC   HA31    27     1.09563   107.93155   -53.17323
   32    30 S   HC   HA32    28     1.09562   107.50224    63.15888
   33    29 S   CT   _C20    36     1.84562    99.85588   134.97309
   34    33 S   HC   _H5_    37     1.09602   108.68671    28.34717
   35    30 S   CO3  _C3_    29     1.52902   114.27638  -175.33700
   36    35 S   O2Z  _O31    30     1.26344   116.07688    -3.51864
   37    35 S   O2Z  _O32    31     1.26443   114.41724   176.42133
   38    33 S   CM   _C15    38     1.52583   108.61227   -90.74207
   39    38 S   CT   _C16    39     1.51523   114.54283   -82.39827
   40    39 S   HC   _H14    40     1.09832   107.96141    64.50525
   41    39 S   HC   _H15    41     1.09312   112.90046  -179.66545
   42    38 S   CM   _C14    53     1.34557   119.70031    98.50372
   43    42 S   HC   _H13    54     1.08559   119.26334    -1.99861
   44    39 S   CT1  _C17    42     1.52883   111.75164   -55.31346
   45    44 S   HC   _H4_    43     1.09802   107.47007   163.26229
   46    42 S   CG   _C13    55     1.47351   124.20362   177.63578
   47    46 S   HC   _H12    56     1.09887   118.82324   -23.36918
   48    44 S   NE   _N5_    44     1.45153   111.01855    45.24585
   49    48 S   H    _H16    45     1.01748   117.80096   167.30581
   50    44 S   CO3  _C21    50     1.54263   116.59530   -78.23958
   51    50 S   O2Z  _O38    51     1.26377   116.59409     7.94453
   52    50 S   O2Z  _O37    52     1.26720   114.77772  -170.33305
   53    46 S   NIP  _N4_    57     1.28646   124.66938   157.05275
   54    53 S   H    _H11    58     1.02755   116.37688   179.12107
   55    33 S   CM   _C18    46     1.51429   109.09503   145.87444
   56    53 S   CT1  _C11    59     1.49473   128.32312    -6.63306
   57    56 S   HC   _H3_    60     1.09442   107.25984   -28.81422
   58    55 S   CMA  _C19    47     1.54101   120.87870   -75.70921
   59    58 S   OM   _O35    48     1.26476   120.62804   161.01356
   60    58 S   OM   _O36    49     1.26406   121.53888   -19.50730
   61    56 S   CO3  _C12    61     1.53707   106.24372  -145.32630
   62    61 S   O2Z  _O34    62     1.26306   115.82097   -73.71181
   63    61 S   O2Z  _O33    63     1.26410   114.48705   105.58648
   64    56 S   CT   _C10    64     1.52911   109.13220    91.47397
   65    64 S   HC   _H9_    65     1.09834   110.97571   -52.16065
   66    64 S   HC   _H10    66     1.09820   111.02145    64.48222
   67    64 S   CA   _C9_    67     1.51309   111.81869  -172.36796
   68    67 S   CA   _C4_    68     1.40230   120.25243  -112.36788
   69    68 S   HA   _H6_    69     1.08758   120.35540    -0.18238
   70    68 S   CA   _C5_    70     1.39639   120.61071   179.45035
   71    70 S   HA   _H7_    71     1.08617   119.33353  -179.95154
   72    70 S   CA   _C6_    72     1.39337   119.72420    -0.23155
   73    72 S   CA   _C7_    73     1.39238   120.21500    -0.04423
   74    72 S   OH   _O40    78     1.36726   120.43548  -179.77100
   75    74 S   HO   _H18    79     0.97194   108.70950     1.09307
   76    67 S   CA   _C8_    74     1.40444   120.65006    67.00755
   77    76 S   HA   _H8_    75     1.08708   119.94409     0.85957
   78    73 S   OH   _O39    76     1.36728   119.18634  -179.38483
   79    78 S   HO   _H17    77     0.97400   109.13307   171.08590
  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   8   5   4   3
  15   6   2   1   1  14  13   6   5   8   3   8   6   7   3   8
   3   3   1   1  10   4   3  10   7   2   1   1   6   2   1   9
   4   3   9   8   4   7   3   7   6   3   1   3   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    55    58    59    60    42    43    46  
   38    39    48    55    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    58    50    42    43    46    47    53  
   40    41    44    45    48    49    55    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    54    56    44    55  
   46    47    53  
   45    48    49    55    58    50    51    52  
   48    49    55    50    51    52  
   47    53    54    56    57    61    64  
   53    54    56  
   49    55    58    59    60    50    51    52  
   55    58    50  
   51    52    55  
   52  
    0  
   54    56    57    61    62    63    64    65    66    67  
   56    57    61    64  
   58    59    60  
   57    61    62    63    64    65    66    67    68    76  
   61    62    63    64    65    66    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64  
   64  
   65    66    67    68    69    70    73    76    77  
   66    67    68    76  
   67    68    76  
   68    69    70    71    72    73    76    77    78  
   69    70    71    72    73    76    77    74  
   70    71    72    76  
   71    72    73    76    78    74    75  
   72    73    74  
   73    76    77    78    79    74    75  
   76    77    78    79    74    75  
   75    76    78  
    0  
   77    78    79  
   78  
   79  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   54   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   60   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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  1.510
   33    55   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    55   425.000  1.378
   55    58   465.000  1.376
   58    59   745.000  1.250
   58    60   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    54   490.000  1.015
   53    56   280.000  1.462
   56    57   340.000  1.090
   56    61   317.000  1.522
   56    64   268.000  1.529
   61    62   656.000  1.250
   61    63   656.000  1.250
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   469.000  1.400
   67    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   78    79   553.000  0.945
   74    75   553.000  0.945
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  112.20000
   29    33    55    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    75.00000  116.24600
   33    55    58    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    55    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    55    58    70.00000  124.03900
   55    33    34    35.00000  109.50000
   55    33    38    70.00000  110.12100
   55    48    49    35.00000  114.50000
   55    58    59    65.00000  137.10300
   55    58    60    65.00000  137.10300
   60    58    59    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    54    45.00000  118.89500
   46    53    56    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    57    50.00000  106.46400
   53    56    61    75.00000  110.00000
   53    56    64    75.00000  111.57000
   56    53    54    45.00000  117.21000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    63.00000  114.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   64    56    57    37.50000  110.70000
   64    56    61    63.00000  111.10000
   64    67    68    70.00000  120.00000
   64    67    76    70.00000  120.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    73    63.00000  120.00000
   67    76    77    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    76    63.00000  120.00000
   72    73    78    70.00000  120.00000
   72    74    75    35.00000  113.00000
   73    76    77    35.00000  120.00000
   73    78    79    35.00000  113.00000
   76    67    68    63.00000  120.00000
   78    73    76    70.00000  120.00000
   74    72    73    70.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.09700  1.0 1.0
   29    33    55    48   0.15600 -1.0 2.0
   29    33    55    48  -0.50800  1.0 3.0
   29    33    55    58   0.42700  1.0 1.0
   29    33    55    58  -0.70350 -1.0 2.0
   29    33    55    58  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    58    59   7.00000 -1.0 2.0
   33    55    58    60   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48  -0.18050  1.0 3.0
   34    33    55    58   0.00000  1.0 1.0
   38    33    55    48  -1.35150  1.0 1.0
   38    33    55    48   0.13900 -1.0 2.0
   38    33    55    48   0.25250  1.0 3.0
   38    33    55    58  -0.28300  1.0 1.0
   38    33    55    58   0.26700 -1.0 2.0
   38    33    55    58  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.25450  1.0 1.0
   39    44    48    55  -0.61700 -1.0 2.0
   39    44    48    55  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -55    33   1.00000 -1.0 2.0
   44    48    55    58  -0.54700  1.0 1.0
   44    48    55    58   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    55   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    55    58    59   7.00000 -1.0 2.0
   48    55    58    60   7.00000 -1.0 2.0
   49    48    55    33   2.40850 -1.0 2.0
   49    48    55    58   1.00000 -1.0 2.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    42  -0.28300  1.0 1.0
   55    33    38    42   0.26700 -1.0 2.0
   55    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55  -0.12500  1.0 1.0
   50    44    48    55  -0.12500 -1.0 2.0
   50    44    48    55   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    54   2.00000 -1.0 2.0
   42    46    53    56   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    57  -0.22200  1.0 3.0
   46    53    56    61   0.00000  1.0 1.0
   46    53    56    64   0.00000  1.0 1.0
   47    46    53    54   2.00000 -1.0 2.0
   47    46    53    56   2.00000 -1.0 2.0
   53    56    61    62   0.30150 -1.0 2.0
   53    56    61    63   0.30150 -1.0 2.0
   53    56    64    65   0.15000  1.0 3.0
   53    56    64    66   0.15000  1.0 3.0
   53    56    64    67   0.56750  1.0 1.0
   53    56    64    67  -0.07550 -1.0 2.0
   53    56    64    67   0.20000  1.0 3.0
   54    53    56    57   0.09500  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   54    53    56    64   0.00000  1.0 1.0
   56    64    67    68   0.00000  1.0 1.0
   56    64    67    76   0.00000  1.0 1.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    67   0.23100  1.0 3.0
   61    56    64    65  -0.03800  1.0 3.0
   61    56    64    66  -0.03800  1.0 3.0
   61    56    64    67  -0.84850  1.0 1.0
   61    56    64    67  -0.22800 -1.0 2.0
   61    56    64    67   0.29250  1.0 3.0
   64    56    61    62   0.00000  1.0 1.0
   64    56    61    63   0.00000  1.0 1.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    76    73   3.62500 -1.0 2.0
   64    67    76    77   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    76   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    76   0.00000  1.0 1.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    76    73   3.62500 -1.0 2.0
   68    67    76    77   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    73    78   3.62500 -1.0 2.0
   70    72    74    75   0.84100 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73   -76    67   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    73    78    79   0.84100 -1.0 2.0
   73    72    74    75   0.84100 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   3.62500 -1.0 2.0
   76    73    78    79   0.84100 -1.0 2.0
   78    73    76    67   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   74    72    73    78   3.62500 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    55    48    44   1.00000 -1.0 2.0
   33    48    55    58   1.10000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    54    53    46   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   68    76    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   76    78    73    72   4.00000 -1.0 2.0
   73    77    76    67   1.10000 -1.0 2.0
END
