* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    113    170     330
    1     0 S   NP   _N1_     1    28.74200    95.74530   -24.56635
    2     1 S   H    _HN1     2     1.02784   111.24582   -86.64607
    3     1 S   H    _H1_     3     1.02950    74.12545    17.28063
    4     1 S   H    _H2_     4     1.02828    34.02028  -177.39218
    5     1 S   CT   _CA1     5     1.50110   131.66308   120.70689
    6     5 S   HC   _HA1     6     1.09572   105.20945    91.10909
    7     5 S   CO3  _C1_     7     1.53791   112.41196   -29.15160
    8     7 S   O2Z  _O11     8     1.26373   115.00872   -43.70206
    9     7 S   O2Z  _O12     9     1.26235   114.93885   135.41980
   10     5 S   CT   _CB1    10     1.53076   107.41963  -150.91338
   11    10 S   HC   HB11    11     1.09832   109.39811   -49.77064
   12    10 S   HC   HB12    12     1.09814   110.44006    66.83592
   13    10 S   CT   _CG1    13     1.52990   112.59876  -170.74861
   14    13 S   HC   HG11    14     1.09586   110.61641   -64.90759
   15    13 S   HC   HG12    15     1.09667   109.81631    54.33162
   16    13 S   C    _CD1    16     1.51798   112.21609   174.79436
   17    16 S   O    _OE1    17     1.22734   123.28390     5.89917
   18    16 S   N    _N2_    18     1.38641   111.67749  -174.26127
   19    18 S   H    _HN2    19     1.01587   118.96587     1.71144
   20    18 S   CT1  _CA2    20     1.46219   123.38918   178.09978
   21    20 S   HC   _HA2    21     1.09736   109.35531     1.39353
   22    20 S   C    _C2_    22     1.53513   108.56853  -114.10051
   23    22 S   O    _O2_    23     1.23046   122.32140  -147.72163
   24    20 S   CT   _CB2    32     1.53322   111.57438   123.34240
   25    24 S   HC   HB21    33     1.09585   110.03775    56.80834
   26    24 S   HC   HB22    34     1.09466   110.06506   175.92556
   27    22 S   N    _N3_    24     1.38349   113.66020    39.72963
   28    27 S   H    _HN3    25     1.01592   119.57515    -3.41541
   29    24 S   S    _SG2    35     1.82820   111.40852   -64.00915
   30    27 S   CT   _CA3    26     1.45286   123.18673   177.08805
   31    30 S   HC   HA31    27     1.09550   107.51594   -64.34132
   32    30 S   HC   HA32    28     1.09557   107.97272    52.08722
   33    29 S   CT   _C7_    36     1.85240    99.57595   173.23117
   34    33 S   HC   _H3_    37     1.09748   106.17264   -45.48643
   35    30 S   CO3  _C3_    29     1.52955   114.09923   174.07987
   36    35 S   O2Z  _O31    30     1.26373   116.07040    -0.66998
   37    35 S   O2Z  _O32    31     1.26429   114.41102   179.39123
   38    33 S   CA   _C8_    38     1.51974   110.25581    72.77019
   39    33 S   CT   _C6_    52     1.55104   110.03754  -162.24545
   40    39 S   HC   _H7_    53     1.09781   109.44587   -59.55371
   41    38 S   CA   _C9_    39     1.39682   122.23399    64.40604
   42    41 S   HA   _H8_    40     1.08768   120.27296    -0.66998
   43    39 S   CO4  _C5_    54     1.52806   110.57068  -178.30684
   44    43 S   O    _O33    55     1.23102   121.93852   -55.64806
   45    39 S   CO4  _C14    60     1.52958   111.91396    59.84344
   46    45 S   O    _O38    61     1.23093   122.27882    42.20946
   47    41 S   CA   _C10    41     1.40691   119.76874   179.35532
   48    43 S   CT   _C4_    56     1.50653   116.92249   126.04443
   49    48 S   HC   _H4_    57     1.09255   109.58237    61.60955
   50    48 S   HC   _H5_    58     1.09352   109.64833  -178.89394
   51    48 S   HC   _H6_    59     1.09243   109.79170   -59.57318
   52    45 S   CT   _C15    62     1.50671   116.66812  -140.35572
   53    52 S   HC   _H11    63     1.09280   109.61717    59.06713
   54    52 S   HC   _H12    64     1.09354   109.66748   178.25695
   55    52 S   HC   _H13    65     1.09246   109.64742   -62.11661
   56    47 S   CA   _C11    42     1.41495   125.13529    -0.08847
   57    56 S   OM   _O35    43     1.28025   125.07218  -179.58931
   58    47 S   NO2  _N4_    49     1.45049   115.34185  -179.75934
   59    58 S   ON   _O37    50     1.23848   116.85809    83.44791
   60    58 S   ON   _O36    51     1.23827   117.04400   -94.60481
   61    56 S   CA   _C12    44     1.41391   112.22130     0.22029
   62    38 S   CA   _C13    45     1.39767   119.91274  -116.16057
   63    62 S   HA   _H9_    46     1.08770   120.35169     0.39958
   64    61 S   OH   _O34    47     1.37986   119.62302   179.96574
   65    64 S   HO   _H10    48     0.97519   105.74715    -0.13417
  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
  16   7   2   1   1  13  15   6  10   4   8   5   6   4   8   3
   2   1   1   3   2   1   1   9   4   3   1   1   4   3   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    62    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    61    62    63    39    40    43    44    48    45    46    52  
   38    41    62    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    56    61    62    63    64    58    39    40    43    45  
   40    43    44    48    49    50    51    45    46    52    53    54    55    41    62  
   43    44    48    45    46    52  
   42    47    56    57    61    62    63    58    59    60  
   47    56    62    58  
   44    48    49    50    51    45    46    52  
   48    49    50    51    45  
   46    52    53    54    55    48  
   52    53    54    55  
   56    57    61    62    64    58    59    60  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    61    62    63    64    65    58    59    60  
   61    62    64    58  
   59    60    61  
   60  
    0  
   62    63    64    65  
   63    64    65  
   64  
   65  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   59   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   60   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    62   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    56   469.000  1.400
   47    58   400.000  1.460
   56    57   450.000  1.364
   56    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   64    65   553.000  0.945
   58    59   550.000  1.225
   58    60   550.000  1.225
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    45   317.000  1.522
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    62    61    63.00000  120.00000
   38    62    63    35.00000  120.00000
   41    47    56    63.00000  120.00000
   41    47    58    85.00000  120.00000
   47    41    42    35.00000  120.00000
   47    56    57    70.00000  120.00000
   47    56    61    63.00000  120.00000
   47    58    59    80.00000  117.50000
   47    58    60    80.00000  117.50000
   56    61    62    63.00000  120.00000
   56    61    64    70.00000  120.00000
   61    56    57    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    64    65    35.00000  113.00000
   62    38    41    63.00000  120.00000
   64    61    62    70.00000  120.00000
   58    47    56    85.00000  120.00000
   60    58    59    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    48    70.00000  116.00000
   39    45    46    80.00000  120.40000
   39    45    52    70.00000  116.00000
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   48    43    44    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    43    75.00000  107.99600
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   52    45    46    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    62    61   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    48   0.60050  1.0 1.0
   33    39    43    48   0.05600 -1.0 2.0
   33    39    43    48   0.26150  1.0 3.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    52   0.60050  1.0 1.0
   33    39    45    52   0.05600 -1.0 2.0
   33    39    45    52   0.26150  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    47    56   3.62500 -1.0 2.0
   38    41    47    58   3.62500 -1.0 2.0
   41    38    62    61   3.62500 -1.0 2.0
   41    38    62    63   3.62500 -1.0 2.0
   41    47    56    57   3.62500 -1.0 2.0
   41    47   -56    61   3.62500 -1.0 2.0
   41    47    58    59   0.69950 -1.0 2.0
   41    47    58    60   0.69950 -1.0 2.0
   42    41    47    56   3.62500 -1.0 2.0
   42    41    47    58   3.62500 -1.0 2.0
   47    56    61    62   3.62500 -1.0 2.0
   47    56    61    64   3.62500 -1.0 2.0
   56    47    58    59   0.69950 -1.0 2.0
   56    47    58    60   0.69950 -1.0 2.0
   56    61   -62    38   3.62500 -1.0 2.0
   56    61    62    63   3.62500 -1.0 2.0
   56    61    64    65   0.84100 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    64   3.62500 -1.0 2.0
   62    38    41    42   3.62500 -1.0 2.0
   62    38   -41    47   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   64    61    62    38   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   58    47    56    57   3.62500 -1.0 2.0
   58    47    56    61   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    62   0.04150 -1.0 2.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    50   0.00000  1.0 1.0
   39    43    48    51   0.00000  1.0 1.0
   39    45    52    53   0.00000  1.0 1.0
   39    45    52    54   0.00000  1.0 1.0
   39    45    52    55   0.00000  1.0 1.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    52   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    52   0.65300  1.0 1.0
   43    39    45    52  -0.03850 -1.0 2.0
   43    39    45    52   0.33900  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   45    39    43    44   0.30150 -1.0 2.0
   45    39    43    48   0.65300  1.0 1.0
   45    39    43    48  -0.03850 -1.0 2.0
   45    39    43    48   0.33900  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   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
   36    30    35    37  10.50000 -1.0 2.0
   41    62    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   56    58    47    41   4.00000 -1.0 2.0
   61    57    56    47   4.00000 -1.0 2.0
   62    64    61    56   4.00000 -1.0 2.0
   61    63    62    38   1.10000 -1.0 2.0
   59    47    58    60  10.50000 -1.0 2.0
   39    48    43    44  10.50000 -1.0 2.0
   39    52    45    46  10.50000 -1.0 2.0
END
