* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    128    202     378
    1     0 S   NP   _N1_     1    28.77371    95.63909   -24.60717
    2     1 S   H    _HN1     2     1.02828    28.63182   171.27699
    3     1 S   H    _H1_     3     1.02787   112.19248  -101.86512
    4     1 S   H    _H2_     4     1.02949    79.10253     3.68456
    5     1 S   CT   _CA1     5     1.50114   128.11765   111.15344
    6     5 S   HC   _HA1     6     1.09574   105.18628    85.61051
    7     5 S   CO3  _C1_     7     1.53787   112.48501   -34.61512
    8     7 S   O2Z  _O11     8     1.26373   115.00467   -42.03898
    9     7 S   O2Z  _O12     9     1.26242   114.94825   137.08593
   10     5 S   CT   _CB1    10     1.53078   107.41920  -156.40200
   11    10 S   HC   HB11    11     1.09834   109.36284   -49.61948
   12    10 S   HC   HB12    12     1.09813   110.45166    66.99041
   13    10 S   CT   _CG1    13     1.52991   112.60848  -170.59134
   14    13 S   HC   HG11    14     1.09580   110.64540   -66.06159
   15    13 S   HC   HG12    15     1.09672   109.76827    53.16996
   16    13 S   C    _CD1    16     1.51801   112.20771   173.62865
   17    16 S   O    _OE1    17     1.22733   123.28295     7.85775
   18    16 S   N    _N2_    18     1.38657   111.68433  -172.22453
   19    18 S   H    _HN2    19     1.01578   118.92964     1.66648
   20    18 S   CT1  _CA2    20     1.46197   123.39359   177.28099
   21    20 S   HC   _HA2    21     1.09737   109.35286     3.76130
   22    20 S   C    _C2_    22     1.53582   108.66599  -111.72181
   23    22 S   O    _O2_    23     1.23065   122.25747  -148.16577
   24    20 S   CT   _CB2    32     1.53359   111.59858   125.77752
   25    24 S   HC   HB21    33     1.09584   110.02512    56.09452
   26    24 S   HC   HB22    34     1.09405   109.98949   175.09220
   27    22 S   N    _N3_    24     1.38319   113.74903    39.29138
   28    27 S   H    _HN3    25     1.01577   119.60184    -3.28593
   29    24 S   S    _SG2    35     1.82804   111.47255   -64.75185
   30    27 S   CT   _CA3    26     1.45290   123.23808   177.15662
   31    30 S   HC   HA31    27     1.09549   107.50981   -64.65940
   32    30 S   HC   HA32    28     1.09557   107.99008    51.78711
   33    29 S   CT   _C10    36     1.84572    99.77622   174.15829
   34    33 S   HC   _H3_    37     1.09682   106.29058   -40.68026
   35    30 S   CO3  _C3_    29     1.52967   114.06309   173.77884
   36    35 S   O2Z  _O31    30     1.26379   116.06467    -0.77202
   37    35 S   O2Z  _O32    31     1.26427   114.41595   179.29086
   38    33 S   CA   _C7_    38     1.52191   109.50741  -157.39026
   39    33 S   CT   _C11    49     1.53784   110.62010    77.48994
   40    39 S   HC   _H9_    50     1.09671   111.52211    68.58921
   41    39 S   HC   _H10    51     1.09660   110.75274   -50.59438
   42    38 S   CA   _C6_    39     1.40436   119.57007   112.16162
   43    42 S   HA   _H6_    40     1.08746   120.41135     0.63704
   44    39 S   C    _C12    52     1.52173   112.66275  -168.61813
   45    44 S   O    _O33    53     1.22776   123.18465    15.96014
   46    42 S   CA   _C5_    41     1.39614   120.79970  -179.53019
   47    46 S   HA   _H5_    42     1.08616   119.93538  -179.75772
   48    44 S   N    _N4_    54     1.38647   111.93791  -166.02939
   49    48 S   H    _H11    55     1.01515   119.37682     0.47765
   50    46 S   CA   _C4_    43     1.39241   120.08369     0.26393
   51    50 S   HA   _H4_    44     1.08603   120.05327  -179.94065
   52    48 S   CT   _C13    56     1.45300   122.92170  -179.58457
   53    52 S   HC   _H12    57     1.09528   106.42417   137.78845
   54    52 S   HC   _H13    58     1.09522   109.62010    21.55764
   55    50 S   CA   _C9_    45     1.39260   119.87752    -0.19979
   56    55 S   HA   _H8_    46     1.08623   119.95876  -179.96044
   57    52 S   CT   _C14    59     1.52992   112.21514  -102.68064
   58    57 S   HC   _H14    60     1.09737   109.24727  -172.78768
   59    57 S   HC   _H15    61     1.09758   109.41206   -57.12692
   60    38 S   CA   _C8_    47     1.40466   122.05306   -67.28328
   61    60 S   HA   _H7_    48     1.08702   120.66510    -0.08623
   62    57 S   CA   _C15    62     1.50933   113.87638    66.13711
   63    62 S   CA   _C16    63     1.40206   120.42140  -111.46448
   64    63 S   HA   _H16    64     1.08706   120.46246     0.17359
   65    63 S   CA   _C17    65     1.39526   120.48938  -179.82196
   66    65 S   HA   _H17    66     1.08608   119.84423   179.79537
   67    65 S   CA   _C18    67     1.39120   119.67330    -0.43341
   68    67 S   CA   _C19    68     1.39211   120.73127     0.30455
   69    68 S   HA   _H18    69     1.08587   121.01783  -180.00000
   70    67 S   OH   _O34    72     1.36628   118.20122  -179.73607
   71    70 S   HO   _H20    73     0.97230   108.49825   179.13725
   72    62 S   CA   _C20    70     1.40279   120.57295    68.56214
   73    72 S   HA   _H19    71     1.08725   120.27467     0.00000
  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
  14   7   2   1   1  13   9   4   3   8   4   7   3   6   3   8
   4   5   3   8   5   4   3   2   9   4   3   1   1   9   8   4
   7   3   6   5   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    55    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    50    55    56    60    61    39    40    41    44  
   40    41    44    45    48    49    52    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    50    51    55    60    61  
   46    47    50    60  
   45    48    49    52    53    54    57  
   48    49    52  
   47    50    51    55    56    60  
   50    51    55  
   49    52    53    54    57    58    59    62  
   52    53    54    57  
   51    55    56    60    61  
   55    56    60  
   53    54    57    58    59    62    63    72  
   54    57    58    59    62  
   57    58    59    62  
   56    60    61  
   60    61  
   58    59    62    63    64    65    68    72    73  
   59    62    63    72  
   62    63    72  
   61  
    0  
   63    64    65    66    67    68    69    72    73  
   64    65    66    67    68    72    73    70  
   65    66    67    72  
   66    67    68    69    72    70    71  
   67    68    70  
   68    69    72    73    70    71  
   69    72    73    70    71  
   72    73    70  
   71    72  
    0  
   73  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    63   469.000  1.400
   62    72   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.400
   67    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   70    71   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    55    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    50    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    55    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    60    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    60    61    35.00000  120.00000
   60    38    42    63.00000  120.00000
   60    55    56    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  119.80000
   44    48    52    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    70.00000  110.72300
   52    48    49    38.00000  118.40000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    62    70.00000  112.17500
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    62    63    70.00000  120.00000
   57    62    72    70.00000  120.00000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    72    68    63.00000  120.00000
   62    72    73    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    70    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    72    63.00000  120.00000
   67    70    71    35.00000  113.00000
   68    72    73    35.00000  120.00000
   72    62    63    63.00000  120.00000
   72    68    69    35.00000  120.00000
   70    67    68    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    55   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    50   3.62500 -1.0 2.0
   42    38    60    55   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46    50    51   3.62500 -1.0 2.0
   42    46   -50    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    50    55    56   3.62500 -1.0 2.0
   46    50    55    60   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    55   -60    38   3.62500 -1.0 2.0
   50    55    60    61   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    60   3.62500 -1.0 2.0
   56    55    60    38   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    49   2.45000 -1.0 2.0
   39    44    48    52   1.49850  1.0 1.0
   39    44    48    52   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    57  -0.43950  1.0 1.0
   44    48    52    57  -0.08100 -1.0 2.0
   44    48    52    57   0.03350  1.0 3.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    52   3.04450 -1.0 2.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    62   0.08550  1.0 1.0
   48    52    57    62   1.07500 -1.0 2.0
   48    52    57    62  -0.10950  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    62    63   0.04150 -1.0 2.0
   52    57    62    72   0.04150 -1.0 2.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62   0.43200  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    62   0.43200  1.0 3.0
   57    62    63    64   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    72    68   3.62500 -1.0 2.0
   57    62    72    73   3.62500 -1.0 2.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    72   0.00000  1.0 1.0
   59    57    62    63   0.00000  1.0 1.0
   59    57    62    72   0.00000  1.0 1.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    67   3.62500 -1.0 2.0
   63    62    72    68   3.62500 -1.0 2.0
   63    62    72    73   3.62500 -1.0 2.0
   63    65   -67    68   3.62500 -1.0 2.0
   63    65    67    70   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    69   3.62500 -1.0 2.0
   65    67    68    72   3.62500 -1.0 2.0
   65    67    70    71   0.84100 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    70   3.62500 -1.0 2.0
   67    68   -72    62   3.62500 -1.0 2.0
   67    68    72    73   3.62500 -1.0 2.0
   68    67    70    71   0.84100 -1.0 2.0
   69    68    72    62   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   72    62    63    64   3.62500 -1.0 2.0
   72    62   -63    65   3.62500 -1.0 2.0
   70    67    68    69   3.62500 -1.0 2.0
   70    67    68    72   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
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   55    51    50    46   1.10000 -1.0 2.0
   60    56    55    50   1.10000 -1.0 2.0
   55    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   49    44    48    52   1.00000 -1.0 2.0
   63    72    62    57   4.00000 -1.0 2.0
   65    64    63    62   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    70    67    65   4.00000 -1.0 2.0
   72    69    68    67   1.10000 -1.0 2.0
   68    73    72    62   1.10000 -1.0 2.0
END
