* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    118    187     345
    1     0 S   NP   _N1_     1    28.05885    97.15627   -22.96625
    2     1 S   H    _HN1     2     1.02958    74.39353    -4.16396
    3     1 S   H    _H1_     3     1.02836    36.84926   147.50651
    4     1 S   H    _H2_     4     1.02776   102.97420  -109.88188
    5     1 S   CT   _CA1     5     1.50135   139.79914    99.12608
    6     5 S   HC   _HA1     6     1.09573   105.21571    87.79576
    7     5 S   CO3  _C1_     7     1.53785   112.35935   -32.41040
    8     7 S   O2Z  _O11     8     1.26368   114.99138   -43.73390
    9     7 S   O2Z  _O12     9     1.26232   114.93382   135.35330
   10     5 S   CT   _CB1    10     1.53095   107.42471  -154.27487
   11    10 S   HC   HB11    11     1.09828   109.34876   -50.29395
   12    10 S   HC   HB12    12     1.09816   110.41812    66.26475
   13    10 S   CT   _CG1    13     1.53023   112.67674  -171.35187
   14    13 S   HC   HG11    14     1.09593   110.50899   -64.30738
   15    13 S   HC   HG12    15     1.09656   109.91098    54.90325
   16    13 S   C    _CD1    16     1.51841   112.29415   175.29289
   17    16 S   O    _OE1    17     1.22752   123.28114     1.04829
   18    16 S   N    _N2_    18     1.38550   111.72833  -179.06497
   19    18 S   H    _HN2    19     1.01571   119.03440     4.58492
   20    18 S   CT1  _CA2    20     1.45870   122.89221   177.89021
   21    20 S   HC   _HA2    21     1.09720   108.96661    23.23375
   22    20 S   C    _C2_    22     1.52878   106.80851   -93.94857
   23    22 S   O    _O2_    23     1.22992   122.93580   -29.85051
   24    20 S   CT   _CB2    32     1.53289   112.16015   146.40732
   25    24 S   HC   HB21    33     1.09427   109.53376    54.41537
   26    24 S   HC   HB22    34     1.09422   109.68003   173.27104
   27    22 S   N    _N3_    24     1.38469   112.64131   152.78139
   28    27 S   H    _HN3    25     1.01652   120.39721    -1.27503
   29    24 S   S    _SG2    35     1.83102   110.54326   -66.57137
   30    27 S   CT   _CA3    26     1.45357   122.44735   178.62002
   31    30 S   HC   HA31    27     1.09565   107.51326   -62.42374
   32    30 S   HC   HA32    28     1.09568   107.89392    53.89469
   33    29 S   CT   _C18    36     1.87601   102.15384   175.04042
   34    30 S   CO3  _C3_    29     1.52891   114.38199   175.86483
   35    34 S   O2Z  _O31    30     1.26330   116.09145    -1.41610
   36    34 S   O2Z  _O32    31     1.26452   114.39773   178.69224
   37    33 S   CM   _C11    37     1.50429   107.45144    59.77643
   38    37 S   HC   _H28    38     1.09136   116.09908    65.12191
   39    33 S   CM   _C14    51     1.53713   112.02443  -178.33799
   40    37 S   CMA  _C15    39     1.35014   125.96853  -115.03977
   41    40 S   OM   _O17    40     1.26212   128.10774   179.89165
   42    39 S   CM   _C12    52     1.34567   126.94338    -5.50894
   43    42 S   HC   _H29    53     1.08190   124.65313    -0.18238
   44    39 S   CO4  _C13    64     1.50184   117.95516   174.55493
   45    44 S   O    _O18    65     1.22457   122.76560    -0.89700
   46    40 S   CM   _C16    41     1.48686   118.43129     0.06853
   47    42 S   OS   _O20    54     1.37382   128.01473  -179.84934
   48    46 S   CM   _C10    42     1.34672   121.77075    -1.19124
   49    48 S   HC   _H27    43     1.08295   123.19393  -179.65508
   50    46 S   OS   _O22    46     1.39248   114.84992   178.88022
   51    47 S   CA   _C8_    55     1.36732   117.86700     0.46730
   52    33 S   CO4  _C17    44     1.53319   106.01762   -61.37233
   53    52 S   O    _O19    45     1.23266   122.71577   -64.33977
   54    50 S   CT   _C19    47     1.42149   118.70170   179.73093
   55    54 S   HC   _H30    48     1.09411   107.85227  -179.94405
   56    54 S   HC   _H31    49     1.09475   111.01130    62.16086
   57    54 S   HC   _H32    50     1.09474   111.01782   -62.04144
   58    51 S   CA   _C6_    56     1.39490   117.36852   179.55677
   59    58 S   HA   _H26    57     1.08655   120.36566    -0.01978
   60    58 S   CA   _C9_    58     1.39276   119.38287  -180.00000
   61    60 S   CA   _C5_    59     1.39396   120.85885    -0.00000
   62    61 S   HA   _H25    60     1.08613   120.97541   180.00000
   63    60 S   OH   _O21    66     1.36629   118.13080   179.97202
   64    63 S   HO   _H33    67     0.97247   108.63810   179.96044
   65    61 S   CA   _C4_    61     1.39572   119.53582    -0.00000
   66    65 S   HA   _H24    62     1.08687   119.11022   180.00000
   67    51 S   CA   _C7_    63     1.39064   122.39480    -0.46140
  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  10   5   4   3
  16   2   1   1  11   5  12   7   3   8   3   9   3   9   6   5
   3   5   8   1   1   3   2   1   1   8   4   7   6   4   2   1
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    52    53    39    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    52    53    39    42    43    47    67    44    45  
   35    36  
   36  
    0  
   38    40    41    46    48    52    53    50    39    42    44  
   40    41    46    52    39  
   42    43    47    51    65    67    44    45    40    48    52    53  
   41    46    48    49    52    50    54  
   46    48    50  
   43    47    51    58    67    44    45    52  
   47    51    44  
   45    47    51    52    58    61    65    66    67  
   51    65    67  
   48    49    52    53    50    54    55    56    57  
   51    58    59    60    65    67  
   49    52    53    50    54  
   52    53    50  
   54    55    56    57    52  
   58    59    60    61    65    66    67    63  
   53  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    65    67    63    64  
   60    61    67    63  
   61    62    65    66    67    63    64  
   62    65    66    67    63    64  
   65    66    67    63  
   64    65  
    0  
   66    67  
   67  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.522
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    48   549.000  1.340
   46    50   440.000  1.360
   48    49   340.000  1.080
   48    52   320.000  1.462
   52    53   570.000  1.229
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    42   549.000  1.340
   39    44   320.000  1.462
   42    43   340.000  1.080
   42    47   440.000  1.360
   47    51   450.000  1.364
   51    58   469.000  1.400
   51    67   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    44   310.000  1.470
   44    45   570.000  1.229
   63    64   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  110.18000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    52    48    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    39    42    70.00000  124.00000
   33    39    44    65.00000  116.34900
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    48    70.00000  117.34000
   40    46    50    80.00000  120.01400
   46    40    41    65.00000  137.10300
   46    48    49    35.00000  120.00000
   46    48    52    65.00000  118.96000
   46    50    54    90.00000  111.18400
   48    52    53    80.00000  123.72100
   52    33    37    70.00000  109.06800
   52    48    49    40.00000  117.72500
   50    46    48    80.00000  120.01400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    33    52    70.00000  109.06800
   39    42    43    35.00000  120.00000
   39    42    47    80.00000  120.01400
   39    44    67    65.00000  117.02400
   39    44    45    80.00000  123.72100
   42    47    51    90.00000  114.30300
   47    42    43    55.00000  109.52600
   47    51    58    70.00000  120.00000
   47    51    67    70.00000  120.00000
   51    58    59    35.00000  120.00000
   51    58    60    63.00000  120.00000
   51    67    65    63.00000  120.00000
   51    67    44    60.00000  119.52600
   58    60    61    63.00000  120.00000
   58    60    63    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    66    35.00000  120.00000
   61    65    67    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    67    44    60.00000  119.52600
   67    51    58    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    44    45    75.00000  123.78400
   44    39    42    65.00000  118.96000
   63    60    61    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    52    48   0.65300  1.0 1.0
   29    33    52    48  -0.03850 -1.0 2.0
   29    33    52    48   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   33    39    44    67   1.50000 -1.0 2.0
   33    39    44    45  -0.64400  1.0 1.0
   33    39    44    45   0.26850 -1.0 2.0
   37    33    52    48   0.65300  1.0 1.0
   37    33    52    48  -0.03850 -1.0 2.0
   37    33    52    48   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    39    42  -0.28300  1.0 1.0
   37    33    39    42   0.26700 -1.0 2.0
   37    33    39    42  -0.63300  1.0 3.0
   37    33    39    44   0.09700  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44  -0.50800  1.0 3.0
   37    40   -46    48   7.00000 -1.0 2.0
   37    40    46    50   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    52   7.00000 -1.0 2.0
   40    46    50    54  -2.26850  1.0 1.0
   40    46    50    54   3.39050 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   41    40    46    50   7.00000 -1.0 2.0
   46    48   -52    33  -0.33500  1.0 1.0
   46    48   -52    33   1.06600 -1.0 2.0
   46    48   -52    33  -0.14000  1.0 3.0
   46    48    52    53   1.00000 -1.0 2.0
   46    50    54    55   0.08050  1.0 3.0
   46    50    54    56   0.08050  1.0 3.0
   46    50    54    57   0.08050  1.0 3.0
   48    46    50    54  -2.26850  1.0 1.0
   48    46    50    54   3.39050 -1.0 2.0
   49    48    52    33   0.04550  1.0 1.0
   49    48    52    33   0.83000 -1.0 2.0
   49    48    52    33  -0.04000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    40  -0.51250  1.0 1.0
   52    33   -37    40  -0.88800 -1.0 2.0
   52    33   -37    40   0.08850  1.0 3.0
   52    33    39    42  -0.51250  1.0 1.0
   52    33    39    42  -0.88800 -1.0 2.0
   52    33    39    42   0.08850  1.0 3.0
   52    33    39    44   0.09700  1.0 1.0
   52    33    39    44   0.15600 -1.0 2.0
   52    33    39    44  -0.50800  1.0 3.0
   50    46    48    49   7.00000 -1.0 2.0
   50    46    48    52   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    52    48   0.65300  1.0 1.0
   39    33    52    48  -0.03850 -1.0 2.0
   39    33    52    48   0.33900  1.0 3.0
   39    33    52    53   0.30150 -1.0 2.0
   39    42    47    51   2.00000 -1.0 2.0
   42    39    44    67  -1.65800  1.0 1.0
   42    39    44    67   0.77650 -1.0 2.0
   42    39    44    45   1.00000 -1.0 2.0
   42    47    51    58   0.00000  1.0 1.0
   42    47   -51    67   0.00000  1.0 1.0
   43    42    47    51   0.50000 -1.0 2.0
   47    51    58    59   3.62500 -1.0 2.0
   47    51    58    60   3.62500 -1.0 2.0
   47    51    67    65   3.62500 -1.0 2.0
   47    51    67    44   3.62500 -1.0 2.0
   51    58    60    61   3.62500 -1.0 2.0
   51    58    60    63   3.62500 -1.0 2.0
   51    67   -44    39  -0.11500  1.0 1.0
   51    67   -44    39   1.10450 -1.0 2.0
   51    67   -44    39  -0.48050  1.0 3.0
   51    67    44    45   1.05000 -1.0 2.0
   58    51    67    65   3.62500 -1.0 2.0
   58    51    67    44   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60   -61    65   3.62500 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   60    61    65    66   3.62500 -1.0 2.0
   60    61    65    67   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65   -67    51   3.62500 -1.0 2.0
   61    65    67    44   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    67   3.62500 -1.0 2.0
   65    67    44    39  -0.11500  1.0 1.0
   65    67    44    39   1.10450 -1.0 2.0
   65    67    44    39  -0.48050  1.0 3.0
   65    67    44    45   1.05000 -1.0 2.0
   66    65    67    51   3.62500 -1.0 2.0
   66    65    67    44   3.62500 -1.0 2.0
   67    51    58    59   3.62500 -1.0 2.0
   67    51   -58    60   3.62500 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39   -42    47   7.00000 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    50    46    48   1.10000 -1.0 2.0
   52    49    48    46   1.10000 -1.0 2.0
   33    48    52    53  10.50000 -1.0 2.0
   33    44    39    42   1.10000 -1.0 2.0
   47    43    42    39   1.10000 -1.0 2.0
   58    67    51    47   4.00000 -1.0 2.0
   60    59    58    51   1.10000 -1.0 2.0
   61    63    60    58   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   67    66    65    61   1.10000 -1.0 2.0
   65    44    67    51   4.00000 -1.0 2.0
   39    67    44    45  10.50000 -1.0 2.0
END
