* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    157     302
    1     0 S   NP   _N1_     1    28.15661    95.06434   -20.87342
    2     1 S   H    _HN1     2     1.02792    87.30446  -126.43608
    3     1 S   H    _H1_     3     1.02952    84.80756   -17.92490
    4     1 S   H    _H2_     4     1.02844    37.59134   109.32151
    5     1 S   CT   _CA1     5     1.50070   148.30159   103.80358
    6     5 S   HC   _HA1     6     1.09587   105.29466    63.40857
    7     5 S   CO3  _C1_     7     1.53959   112.07915   -56.64134
    8     7 S   O2Z  _O11     8     1.26406   115.23189   -55.40720
    9     7 S   O2Z  _O12     9     1.26224   114.85952   123.87874
   10     5 S   CT   _CB1    10     1.53097   107.35467  -179.03632
   11    10 S   HC   HB11    11     1.09830   109.69046   -52.86481
   12    10 S   HC   HB12    12     1.09586   110.22602    63.32643
   13    10 S   CT   _CG1    13     1.52898   112.54832  -173.76458
   14    13 S   HC   HG11    14     1.09597   110.79023   -56.10506
   15    13 S   HC   HG12    15     1.09643   109.68262    62.93510
   16    13 S   C    _CD1    16     1.51757   112.44195  -175.75624
   17    16 S   O    _OE1    17     1.22727   123.46652     9.23908
   18    16 S   N    _N2_    18     1.38538   111.62104  -172.05834
   19    18 S   H    _HN2    19     1.01561   119.10367     6.72771
   20    18 S   CT1  _CA2    20     1.45707   122.75802  -177.84287
   21    20 S   HC   _HA2    21     1.09657   108.36484    30.42004
   22    20 S   C    _C2_    22     1.52858   107.72041   -86.83878
   23    22 S   O    _O2_    23     1.22929   122.93740   -27.18778
   24    20 S   CT   _CB2    32     1.53266   112.00779   153.57219
   25    24 S   HC   HB21    33     1.09673   109.74912    57.87039
   26    24 S   HC   HB22    34     1.09561   111.42466   175.27047
   27    22 S   N    _N3_    24     1.38630   112.26072   155.86190
   28    27 S   H    _HN3    25     1.01510   119.71662     0.52190
   29    24 S   S    _SG2    35     1.82121   112.83509   -61.14287
   30    27 S   CT   _CA3    26     1.45434   122.78603   174.62699
   31    30 S   HC   HA31    27     1.09540   108.90441    31.26011
   32    30 S   HC   HA32    28     1.09475   107.17373   148.44077
   33    29 S   CO4  _C12    36     1.76242   101.22859   -76.85023
   34    33 S   O    _O33    37     1.22579   123.03016    -3.66287
   35    30 S   CO3  _C3_    29     1.53100   113.69149   -91.60750
   36    35 S   O2Z  _O31    30     1.26376   115.91362   -27.49735
   37    35 S   O2Z  _O32    31     1.26426   114.60625   153.32032
   38    33 S   CT1  _C11    38     1.51807   114.06035   178.73483
   39    38 S   HC   _H4_    39     1.09486   112.36579    -0.40203
   40    38 S   CT   _C10    40     1.53790   111.90956  -126.43251
   41    40 S   HC   _H3_    41     1.09763   109.32721   -61.83623
   42    38 S   NP   _N4_    56     1.50353   108.47307   114.70349
   43    42 S   H    _H9_    57     1.02953   111.70935    56.69324
   44    42 S   H    _H10    58     1.02877   111.67622   -63.96040
   45    42 S   H    _H11    59     1.02981   110.50364   176.29784
   46    40 S   CA   _C9_    42     1.51458   114.22489    60.89408
   47    40 S   OH   _O34    54     1.43272   108.29159  -177.37445
   48    47 S   HO   _H12    55     0.97352   108.25264  -162.08274
   49    46 S   CA   _C4_    43     1.40341   119.71019  -125.19854
   50    49 S   HA   _H5_    44     1.08750   120.57555     1.63877
   51    49 S   CA   _C5_    45     1.39518   120.65556  -177.70049
   52    51 S   HA   _H6_    46     1.08631   119.88544   179.55238
   53    51 S   CA   _C6_    47     1.39056   119.66059    -0.23490
   54    53 S   CA   _C7_    48     1.39153   120.73425    -0.47064
   55    54 S   HA   _H7_    49     1.08640   120.84366   179.93147
   56    53 S   OH   _O35    52     1.36548   118.05251   178.93137
   57    56 S   HO   _H13    53     0.97660   108.92853   172.55879
   58    46 S   CA   _C8_    50     1.40429   121.51877    56.64819
   59    58 S   HA   _H8_    51     1.08721   120.59009    -0.95327
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
  11   4   2   1   1  12   8  14   6   5   2   1   1  11   3   1
   8   4   7   3   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    42    43    44    45  
   38    39    40    42  
   36    37  
   37  
    0  
   39    40    41    46    49    58    47    48    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    49    50    51    54    58    59    47    48    42    43    44    45  
   46    49    58    47    48    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   49    50    51    52    53    54    55    58    59    47    48  
   48    49    58  
    0  
   50    51    52    53    54    58    59    56  
   51    52    53    58  
   52    53    54    55    58    56    57  
   53    54    56  
   54    55    58    59    56    57  
   55    58    59    56    57  
   58    59    56  
   57    58  
    0  
   59  
    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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   43   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
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   210.000  1.799
   33    34   570.000  1.229
   33    38   255.000  1.522
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   367.000  1.471
   40    41   340.000  1.090
   40    46   317.000  1.510
   40    47   320.000  1.410
   46    49   469.000  1.400
   46    58   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   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   56    57   553.000  0.945
   47    48   553.000  0.945
   42    43   434.000  1.010
   42    44   434.000  1.010
   42    45   434.000  1.010
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    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    45.00000  110.09800
   33    38    40    70.00000  110.61500
   33    38    42    85.00000  107.27000
   38    33    34    75.00000  123.42600
   38    40    41    37.50000  110.70000
   38    40    46    63.00000  114.00000
   38    40    47    50.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   40    38    39    37.50000  110.70000
   40    46    49    70.00000  120.00000
   40    46    58    70.00000  120.00000
   40    47    48    55.00000  108.50000
   46    40    41    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    58    54    63.00000  120.00000
   46    58    59    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    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    58    63.00000  120.00000
   53    56    57    35.00000  113.00000
   54    58    59    35.00000  120.00000
   58    46    49    63.00000  120.00000
   58    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   47    40    41    35.00000  109.50000
   47    40    46    90.00000  112.51600
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  111.20000
   44    42    43    35.00000  109.50000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    42   0.00000  1.0 1.0
   33    38    40    41  -0.03800  1.0 3.0
   33    38    40    46  -0.84850  1.0 1.0
   33    38    40    46  -0.22800 -1.0 2.0
   33    38    40    46   0.29250  1.0 3.0
   33    38    40    47  -2.82700  1.0 1.0
   33    38    40    47  -0.43600 -1.0 2.0
   33    38    42    43   0.17350  1.0 3.0
   33    38    42    44   0.17350  1.0 3.0
   33    38    42    45   0.17350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   38    40    46    49   0.00000  1.0 1.0
   38    40    46    58   0.00000  1.0 1.0
   38    40    47    48  -0.49550  1.0 1.0
   38    40    47    48  -0.43450 -1.0 2.0
   38    40    47    48   0.36950  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    46   0.23100  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.13050  1.0 3.0
   39    38    42    44   0.13050  1.0 3.0
   39    38    42    45   0.13050  1.0 3.0
   40    38    42    43   0.17350  1.0 3.0
   40    38    42    44   0.17350  1.0 3.0
   40    38    42    45   0.17350  1.0 3.0
   40    46    49    50   3.62500 -1.0 2.0
   40    46    49    51   3.62500 -1.0 2.0
   40    46    58    54   3.62500 -1.0 2.0
   40    46    58    59   3.62500 -1.0 2.0
   41    40    46    49   0.00000  1.0 1.0
   41    40    46    58   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   46    40    47    48   0.31900  1.0 1.0
   46    40    47    48  -0.11800 -1.0 2.0
   46    40    47    48   0.38750  1.0 3.0
   46    49    51    52   3.62500 -1.0 2.0
   46    49    51    53   3.62500 -1.0 2.0
   49    46    58    54   3.62500 -1.0 2.0
   49    46    58    59   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   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   3.62500 -1.0 2.0
   51    53    54    58   3.62500 -1.0 2.0
   51    53    56    57   0.84100 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -58    46   3.62500 -1.0 2.0
   53    54    58    59   3.62500 -1.0 2.0
   54    53    56    57   0.84100 -1.0 2.0
   55    54    58    46   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   58    46    49    50   3.62500 -1.0 2.0
   58    46   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    58   3.62500 -1.0 2.0
   47    40    46    49   0.14300 -1.0 2.0
   47    40    46    49   0.00300  1.0 3.0
   47    40    46    58   0.14300 -1.0 2.0
   47    40    46    58   0.00300  1.0 3.0
   42    38    40    41   0.23200  1.0 3.0
   42    38    40    46   0.42250  1.0 1.0
   42    38    40    46  -0.48100 -1.0 2.0
   42    38    40    46   0.35650  1.0 3.0
   42    38    40    47   2.71450  1.0 1.0
   42    38    40    47  -0.43950 -1.0 2.0
   42    38    40    47   0.52900  1.0 3.0
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
   29    38    33    34  10.50000 -1.0 2.0
   49    58    46    40   4.00000 -1.0 2.0
   51    50    49    46   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   58    55    54    53   1.10000 -1.0 2.0
   54    59    58    46   1.10000 -1.0 2.0
END
