* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57    100    158     294
    1     0 S   NP   _N1_     1    28.01138    95.53406   -23.81560
    2     1 S   H    _HN1     2     1.02957    85.03779   -10.40025
    3     1 S   H    _H1_     3     1.02836    24.35307   144.60921
    4     1 S   H    _H2_     4     1.02778   106.36040  -118.06526
    5     1 S   CT   _CA1     5     1.50143   130.11783   102.20472
    6     5 S   HC   _HA1     6     1.09576   105.20284    76.54059
    7     5 S   CO3  _C1_     7     1.53778   112.27616   -43.62579
    8     7 S   O2Z  _O11     8     1.26368   114.99512   -45.40804
    9     7 S   O2Z  _O12     9     1.26226   114.92516   133.53644
   10     5 S   CT   _CB1    10     1.53081   107.40197  -165.59027
   11    10 S   HC   HB11    11     1.09831   109.31999   -50.35890
   12    10 S   HC   HB12    12     1.09814   110.44712    66.18575
   13    10 S   CT   _CG1    13     1.53033   112.68596  -171.40024
   14    13 S   HC   HG11    14     1.09592   110.52977   -64.76116
   15    13 S   HC   HG12    15     1.09657   109.89523    54.45768
   16    13 S   C    _CD1    16     1.51851   112.21407   174.81821
   17    16 S   O    _OE1    17     1.22772   123.25439     2.30546
   18    16 S   N    _N2_    18     1.38544   111.80592  -177.72988
   19    18 S   H    _HN2    19     1.01580   119.16118     3.73156
   20    18 S   CT1  _CA2    20     1.45825   122.80848   177.91982
   21    20 S   HC   _HA2    21     1.09740   108.81289    25.93749
   22    20 S   C    _C2_    22     1.52973   107.15161   -91.00830
   23    22 S   O    _O2_    23     1.22971   123.13875   -25.63512
   24    20 S   CT   _CB2    32     1.53193   112.29443   149.01644
   25    24 S   HC   HB21    33     1.09524   110.01691    54.91186
   26    24 S   HC   HB22    34     1.09523   110.15707   173.83649
   27    22 S   N    _N3_    24     1.38520   112.50975   156.94023
   28    27 S   H    _HN3    25     1.01650   120.33094    -2.19642
   29    24 S   S    _SG2    35     1.82538   111.14582   -66.03453
   30    27 S   CT   _CA3    26     1.45343   122.51015   178.56101
   31    30 S   HC   HA31    27     1.09567   107.83756   -54.98468
   32    30 S   HC   HA32    28     1.09560   107.59656    61.36221
   33    29 S   CT   _C13    36     1.84849    99.58316  -172.13803
   34    33 S   HC   _H3_    37     1.09992   104.55574    59.29051
   35    30 S   CO3  _C3_    29     1.52890   114.29910  -176.93280
   36    35 S   O2Z  _O31    30     1.26340   116.06110    -1.00444
   37    35 S   O2Z  _O32    31     1.26433   114.41190   178.96618
   38    33 S   CM   _C11    38     1.51187   109.26009   171.24680
   39    38 S   HC   _H20    39     1.08650   119.80733   -20.94667
   40    38 S   CM   _C10    40     1.34080   121.57179   160.85938
   41    40 S   HC   _H19    41     1.08401   119.70417   179.44680
   42    40 S   CA   _C7_    42     1.47251   120.75703     0.96571
   43    42 S   CA   _C8_    43     1.41573   119.14307   -16.85639
   44    43 S   CA   _C5_    44     1.41113   119.77715  -179.31930
   45    44 S   HA   _H17    45     1.08778   119.89106   179.63363
   46    33 S   CT   _C12    54     1.56936   115.90765   -59.29333
   47    46 S   OM   _O33    55     1.32696   111.29210   -52.57237
   48    46 S   HC   _H21    56     1.10116   104.47471    77.84851
   49    44 S   CA   _C4_    46     1.39509   121.00130     0.29608
   50    49 S   HA   _H16    47     1.08618   119.91063   179.80119
   51    49 S   CA   _C6_    48     1.39024   119.96277     0.03956
   52    51 S   HA   _H18    49     1.08665   119.56141  -179.92598
   53    42 S   CA   _C9_    50     1.40489   123.34477   164.35733
   54    53 S   NO2  _N11    51     1.44458   120.76847    -1.90793
   55    54 S   ON   _O13    52     1.23767   116.93606   108.84730
   56    54 S   ON   _O14    53     1.23780   117.06768   -71.93461
  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
  11   7   2   1   1   9   4   8   3  13  10   9   4   4   1   1
   5   3   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    48  
   38    39    40    43    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    53    46    47    48  
   40    41    42    46  
   41    42    43    44    51    53    54    46  
   42    43    53  
   43    44    45    49    51    52    53    54    55    56    46    47    48  
   44    45    49    50    51    53    54    46    47    48  
   45    49    50    51    52    53    46    47    48  
   49    50    51    46  
   47    48    49    53  
   48  
    0  
   50    51    52    53    54  
   51    52    53  
   52    53    54    55    56  
   53    54  
   54    55    56  
   55    56  
   56  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    53   469.000  1.400
   43    44   469.000  1.400
   43    46   317.000  1.510
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   400.000  1.460
   54    55   550.000  1.225
   54    56   550.000  1.225
   46    47   570.000  1.307
   46    48   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    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    43    70.00000  112.17500
   33    46    47    50.00000  109.50000
   33    46    48    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    60.00000  123.20500
   40    38    39    35.00000  120.00000
   40    42    43    60.00000  120.93500
   40    42    53    60.00000  120.93500
   42    40    41    40.00000  117.26300
   42    43    44    63.00000  120.00000
   42    43    46    70.00000  120.00000
   42    53    51    63.00000  120.00000
   42    53    54    85.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47    85.00000  111.85700
   43    46    48    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    51    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    85.00000  120.00000
   53    42    43    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    80.00000  117.50000
   53    54    56    80.00000  117.50000
   56    54    55    80.00000  125.30000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    43    44    70.00000  120.00000
   48    46    47    45.00000  125.66300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43   0.43200  1.0 3.0
   34    33    46    47   0.23400  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    43   0.21200  1.0 1.0
   38    33    46    43   0.16900 -1.0 2.0
   38    33    46    43  -1.15100  1.0 3.0
   38    33    46    47   0.61850  1.0 1.0
   38    33    46    47  -0.22750 -1.0 2.0
   38    33    46    47   0.15300  1.0 3.0
   38    33    46    48   0.15000  1.0 3.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    53   0.15800  1.0 1.0
   38    40    42    53   1.85350 -1.0 2.0
   38    40    42    53  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    53    51   3.62500 -1.0 2.0
   40    42    53    54   3.62500 -1.0 2.0
   41    40    42    43   0.56550  1.0 3.0
   41    40    42    53   0.56550  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43   -46    33   0.04150 -1.0 2.0
   42    43    46    47   0.64500  1.0 1.0
   42    43    46    47   0.14800 -1.0 2.0
   42    43    46    47   0.20650  1.0 3.0
   42    43    46    48   0.00000  1.0 1.0
   42    53    54    55   0.69950 -1.0 2.0
   42    53    54    56   0.69950 -1.0 2.0
   43    42    53    51   3.62500 -1.0 2.0
   43    42    53    54   3.62500 -1.0 2.0
   43    44    49    50   3.62500 -1.0 2.0
   43    44   -49    51   3.62500 -1.0 2.0
   44    43    46    33   0.04150 -1.0 2.0
   44    43    46    47   0.64500  1.0 1.0
   44    43    46    47   0.14800 -1.0 2.0
   44    43    46    47   0.20650  1.0 3.0
   44    43    46    48   0.00000  1.0 1.0
   44    49    51    52   3.62500 -1.0 2.0
   44    49    51    53   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    51   3.62500 -1.0 2.0
   49    51   -53    42   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   0.69950 -1.0 2.0
   51    53    54    56   0.69950 -1.0 2.0
   52    51    53    42   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   53    42   -43    44   3.62500 -1.0 2.0
   53    42    43    46   3.62500 -1.0 2.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    53    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   51    54    53    42   4.00000 -1.0 2.0
   56    53    54    55  10.50000 -1.0 2.0
END
