* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    133    211     384
    1     0 S   NP   _N1_     1    29.22728    99.32183   -18.55495
    2     1 S   H    _HN1     2     1.03216   106.68174  -168.24493
    3     1 S   H    _H1_     3     1.02796    63.36425   -65.08307
    4     1 S   H    _H2_     4     1.02711    46.20307    94.16136
    5     1 S   CT   _CA1     5     1.49985   140.14254    27.03167
    6     5 S   HC   _HA1     6     1.09460   105.49648   114.64780
    7     5 S   CO3  _C1_     7     1.53943   112.55403    -5.64764
    8     7 S   O2Z  _O11     8     1.26415   115.10377   -35.29477
    9     7 S   O2Z  _O12     9     1.26211   115.09932   143.77263
   10     5 S   CT   _CB1    10     1.52993   107.34219  -126.47872
   11    10 S   HC   HB11    11     1.09828   110.34660   -39.82598
   12    10 S   HC   HB12    12     1.09798   109.64380    76.75462
   13    10 S   CT   _CG1    13     1.52995   112.59759  -160.50733
   14    13 S   HC   HG11    14     1.09539   110.97384   -50.26888
   15    13 S   HC   HG12    15     1.09645   109.75053    68.76461
   16    13 S   C    _CD1    16     1.51792   112.12931  -169.63956
   17    16 S   O    _OE1    17     1.22789   123.37063    11.42187
   18    16 S   N    _N2_    18     1.38491   111.93108  -170.84376
   19    18 S   H    _HN2    19     1.01506   119.14481     9.23448
   20    18 S   CT1  _CA2    20     1.45696   122.44025  -173.72689
   21    20 S   HC   _HA2    21     1.09735   108.33047    28.94246
   22    20 S   C    _C2_    22     1.52844   107.61276   -88.64634
   23    22 S   O    _O2_    23     1.22948   122.87513   -28.00969
   24    20 S   CT   _CB2    32     1.53302   112.74564   151.21261
   25    24 S   HC   HB21    33     1.09299   110.29635    69.57540
   26    24 S   HC   HB22    34     1.09583   109.86214  -173.71278
   27    22 S   N    _N3_    24     1.38609   112.40605   155.22361
   28    27 S   H    _HN3    25     1.01485   119.77807     0.39067
   29    24 S   S    _SG2    35     1.82838   112.04055   -54.32996
   30    27 S   CT   _CA3    26     1.45432   122.66929   174.82430
   31    30 S   HC   HA31    27     1.09547   108.80202    33.14988
   32    30 S   HC   HA32    28     1.09475   107.20123   150.28322
   33    29 S   CT   _C20    36     1.83383   100.32415   128.20718
   34    33 S   F    F1__    37     1.36598   108.32230    51.24304
   35    33 S   F    F2__    38     1.36721   107.38678   163.56098
   36    30 S   CO3  _C3_    29     1.53090   113.75503   -89.67299
   37    36 S   O2Z  _O31    30     1.26363   115.92656   -27.85697
   38    36 S   O2Z  _O32    31     1.26427   114.60219   152.95237
   39    33 S   CA   _C16    39     1.51347   112.38114   -73.88979
   40    39 S   CA   _C17    40     1.39864   120.58737   101.34220
   41    40 S   HA   _H10    41     1.08834   120.25256    -0.05234
   42    40 S   CA   _C18    42     1.39750   121.59165   179.89721
   43    42 S   HA   _H11    43     1.08588   120.46793   179.72234
   44    42 S   C56A _C19    44     1.40150   118.28384    -1.43327
   45    44 S   C56B _C14    45     1.39487   121.95272     0.84326
   46    39 S   CA   _C15    46     1.40682   120.32226   -79.45767
   47    46 S   HA   _H9_    47     1.08731   120.42391     0.19281
   48    45 S   N5B  _N6_    48     1.38722   115.05828  -178.57852
   49    48 S   CRA  _C13    49     1.31554   110.16416     0.68728
   50    44 S   SA   _S1_    50     1.71956   128.85978  -178.46673
   51    49 S   CT   _C12    51     1.49572   124.38998   175.50168
   52    51 S   HC   _H7_    52     1.09654   111.94964  -152.14012
   53    51 S   HC   _H8_    53     1.09572   109.03827   -34.09484
   54    51 S   N    _N5_    54     1.46062   110.73900    86.93098
   55    54 S   C    _C11    55     1.39072   120.88608  -104.82979
   56    55 S   O    _O33    56     1.22923   124.36916     1.08552
   57    54 S   NI   _N4_    68     1.36539   115.26049    75.95014
   58    55 S   CA   _C7_    57     1.47341   116.61670  -177.60919
   59    58 S   CA   _C6_    58     1.40028   120.08793   179.67675
   60    59 S   HA   _H5_    59     1.08692   121.14268     1.16197
   61    59 S   CA   _C5_    60     1.39351   119.90921  -178.90478
   62    61 S   HA   _H4_    61     1.08625   120.01348  -179.90309
   63    61 S   CA   _C4_    62     1.39247   119.89249     0.31466
   64    63 S   HA   _H3_    63     1.08660   119.91257   179.70993
   65    63 S   CA   _C9_    64     1.39667   120.18956    -0.48051
   66    65 S   HA   _H6_    65     1.08493   117.80851  -179.61235
   67    58 S   CA   _C8_    66     1.39131   119.58867     0.32082
   68    67 S   CHZ  _C10    67     1.47724   116.89389    -2.19874
   69    68 S   CT   _C21    69     1.51844   120.42468  -175.98078
   70    69 S   HC   _H12    70     1.09732   108.93984  -155.70470
   71    69 S   HC   _H13    71     1.09320   111.46531   -39.11000
   72    69 S   CO3  _C22    72     1.52504   109.71021    85.00021
   73    72 S   O2Z  _O35    73     1.26241   115.44004    81.95687
   74    72 S   O2Z  _O34    74     1.26411   115.26645   -97.66455
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   7   6   4   1   6
   7   4   8   4   3   8   9   4   8  10   8   4   6   3   5   3
   4   2   5   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    47  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48  
   41    42    43    44    45    46    47    50  
   42    43    44    46  
   43    44    45    46    48    49    50  
   44    45    50  
   45    46    47    48    49    50    51  
   46    47    48    49    50    51  
   47    48    49    50  
   48  
   49    50    51    52    53    54  
   50    51    52    53    54    55    57  
   51    52    53    54  
   52    53    54    55    56    58    68    57  
   53    54    55    57  
   54    55    57  
   55    56    58    59    67    68    57    69  
   56    58    59    60    61    65    67    68    57  
   58    59    67    57  
   69    70    71    72    58    65    67    68  
   59    60    61    62    63    65    66    67    68    69  
   60    61    62    63    64    65    67    68  
   61    62    63    67  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68  
   65    66    67  
   66    67    68    69  
   67    68  
   68    69    70    71    72  
   69    70    71    72    73    74  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.175000   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   3.2500   0.0620   0.362500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700   0.020100   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.301100   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.174900   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.140700   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.205000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.102700   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.631400   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.446100   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.211400   1.3810   1.2100   0.030040813   0.268726247
   48   3.2800   0.1700  -0.599100   1.8650   1.6500   0.001000000  -0.511443539
   49   3.5500   0.0700   0.200800   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5600   0.3950  -0.083900   2.0080   1.7800   0.025682759  -1.666211680
   51   3.5000   0.0660   0.195000   2.4950   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.2500   0.1700  -0.193400   1.8100   1.6000   0.054801302  -1.445846770
   55   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2800   0.1700  -0.283300   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.063100   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.165700   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.172100   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    46   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   447.000  1.419
   44    50   255.000  1.767
   45    46   469.000  1.404
   45    48   425.000  1.391
   46    47   367.000  1.080
   48    49   488.000  1.335
   49    50   250.000  1.765
   49    51   295.000  1.488
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   337.000  1.449
   54    55   490.000  1.335
   54    57   305.000  1.341
   55    56   570.000  1.229
   55    58   400.000  1.490
   58    59   469.000  1.400
   58    67   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   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   315.000  1.457
   68    57   645.000  1.280
   68    69   285.000  1.496
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    46    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    46    45    63.00000  120.00000
   39    46    47    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    85.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    85.00000  122.70000
   42    44    50    60.00000  130.82900
   44    42    43    35.00000  120.00000
   44    45    46    85.00000  116.20000
   44    45    48    80.00000  112.17400
   44    50    49   120.00000   86.69200
   45    46    47    35.00000  120.00000
   45    48    49    95.00000  105.97700
   46    39    40    63.00000  120.00000
   48    45    46    60.00000  127.02500
   48    49    50    80.00000  114.57700
   48    49    51    65.00000  125.57700
   49    51    52    45.00000  109.19200
   49    51    53    45.00000  109.19200
   49    51    54    75.00000  107.65000
   50    44    45    80.00000  108.95000
   51    49    50    65.00000  125.49400
   51    54    55    50.00000  121.90000
   51    54    57    85.00000  117.02000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    80.00000  122.90000
   54    55    58    75.00000  113.92100
   54    57    68    85.00000  114.80200
   55    58    59    85.00000  120.00000
   55    58    67    85.00000  120.00000
   58    55    56    80.00000  120.40000
   58    59    60    35.00000  120.00000
   58    59    61    63.00000  120.00000
   58    67    65    63.00000  120.00000
   58    67    68    60.00000  120.14900
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    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    60.00000  120.14900
   67    58    59    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    57    70.00000  121.45700
   67    68    69    60.00000  121.79500
   68    69    70    45.00000  110.40700
   68    69    71    45.00000  110.40700
   68    69    72    85.00000  110.06000
   57    54    55    75.00000  121.16600
   69    68    57    65.00000  122.16000
   69    72    73    70.00000  117.00000
   69    72    74    70.00000  117.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   74    72    73    80.00000  126.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    46  -0.16000  1.0 1.0
   29    33    39    46  -0.03200 -1.0 2.0
   29    33    39    46   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    46    45   3.62500 -1.0 2.0
   33    39    46    47   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    46    45   3.62500 -1.0 2.0
   40    39    46    47   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    50   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.00000 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    50    49   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    50   3.62500 -1.0 2.0
   44    45   -46    39   3.50000 -1.0 2.0
   44    45    46    47   3.50000 -1.0 2.0
   44    45   -48    49   3.62500 -1.0 2.0
   45    44   -50    49   3.62500 -1.0 2.0
   45    48   -49    50   3.62500 -1.0 2.0
   45    48    49    51   3.62500 -1.0 2.0
   46    39    40    41   3.62500 -1.0 2.0
   46    39   -40    42   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    45    46    39   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    49   -50    44   3.62500 -1.0 2.0
   48    49    51    52   0.00000  1.0 1.0
   48    49    51    53   0.00000  1.0 1.0
   48    49    51    54   0.04300 -1.0 2.0
   49    51    54    55  -0.69800  1.0 1.0
   49    51    54    55  -0.21350 -1.0 2.0
   49    51    54    57   0.17850 -1.0 2.0
   50    44    45    46   3.62500 -1.0 2.0
   50    44   -45    48   3.62500 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.04300 -1.0 2.0
   51    49    50    44   3.62500 -1.0 2.0
   51    54    55    56   3.04450 -1.0 2.0
   51    54    55    58   1.49850  1.0 1.0
   51    54    55    58   1.53950 -1.0 2.0
   51    54    57    68   0.05200  1.0 1.0
   51    54    57    68   1.42150 -1.0 2.0
   51    54    57    68   0.09000  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    57   0.00000  1.0 1.0
   54    55    58    59   0.75700  1.0 1.0
   54    55    58    59   0.34650 -1.0 2.0
   54    55    58    59   0.33000  1.0 3.0
   54    55    58    59  -0.28100 -1.0 4.0
   54    55    58    67   0.75700  1.0 1.0
   54    55    58    67   0.34650 -1.0 2.0
   54    55    58    67   0.33000  1.0 3.0
   54    55    58    67  -0.28100 -1.0 4.0
   55    54    57    68   1.42450 -1.0 2.0
   55    58    59    60   3.62500 -1.0 2.0
   55    58    59    61   3.62500 -1.0 2.0
   55    58    67    65   3.62500 -1.0 2.0
   55    58   -67    68   3.62500 -1.0 2.0
   56    55    58    59   1.05000 -1.0 2.0
   56    55    58    67   1.05000 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    63   3.62500 -1.0 2.0
   58    67    68    57   1.02250 -1.0 2.0
   58    67    68    69   0.29700 -1.0 2.0
   58    67    68    69   0.19400  1.0 3.0
   59    58    67    65   3.62500 -1.0 2.0
   59    58    67    68   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65   -67    58   3.62500 -1.0 2.0
   63    65    67    68   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    57   1.02250 -1.0 2.0
   65    67    68    69   0.29700 -1.0 2.0
   65    67    68    69   0.19400  1.0 3.0
   66    65    67    58   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    58    59    60   3.62500 -1.0 2.0
   67    58   -59    61   3.62500 -1.0 2.0
   67    68   -57    54   6.00000 -1.0 2.0
   67    68    69    70   0.77000  1.0 3.0
   67    68    69    71   0.77000  1.0 3.0
   67    68    69    72   0.00000  1.0 1.0
   68    69    72    73   0.30150 -1.0 2.0
   68    69    72    74   0.30150 -1.0 2.0
   57    54    55    56  -0.75150  1.0 1.0
   57    54    55    56   0.83450 -1.0 2.0
   57    54   -55    58   2.45000 -1.0 2.0
   57    68    69    70   0.00000  1.0 1.0
   57    68    69    71   0.00000  1.0 1.0
   57    68    69    72   0.00000  1.0 1.0
   69    68    57    54   6.00000 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    74   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   40    46    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    50    44    42   4.00000 -1.0 2.0
   46    48    45    44   4.00000 -1.0 2.0
   45    47    46    39   1.10000 -1.0 2.0
   51    50    49    48   4.00000 -1.0 2.0
   57    55    54    51   1.00000 -1.0 2.0
   54    58    55    56  10.50000 -1.0 2.0
   59    67    58    55   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    58   4.00000 -1.0 2.0
   67    69    68    57  10.50000 -1.0 2.0
   73    69    72    74  10.50000 -1.0 2.0
END
