* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    110    175     325
    1     0 S   NP   _N1_     1    28.88767    95.45386   -22.04528
    2     1 S   H    _HN1     2     1.02943    79.16625    24.98963
    3     1 S   H    _H1_     3     1.02835    35.52815   166.80252
    4     1 S   H    _H2_     4     1.02788    97.12535   -82.34946
    5     1 S   CT   _CA1     5     1.50118   143.05375   134.79213
    6     5 S   HC   _HA1     6     1.09591   105.16240    78.71628
    7     5 S   CO3  _C1_     7     1.53712   112.11189   -41.23762
    8     7 S   O2Z  _O11     8     1.26361   115.07952   -52.11000
    9     7 S   O2Z  _O12     9     1.26230   114.83628   126.64556
   10     5 S   CT   _CB1    10     1.53053   107.36498  -163.73390
   11    10 S   HC   HB11    11     1.09833   109.11108   -51.86240
   12    10 S   HC   HB12    12     1.09806   110.62891    64.63813
   13    10 S   CT   _CG1    13     1.53000   112.64257  -172.91703
   14    13 S   HC   HG11    14     1.09558   110.53695   -67.38374
   15    13 S   HC   HG12    15     1.09671   109.88304    51.80462
   16    13 S   C    _CD1    16     1.51853   112.12957   171.94785
   17    16 S   O    _OE1    17     1.22744   123.25603     3.52409
   18    16 S   N    _N2_    18     1.38591   111.74323  -176.09866
   19    18 S   H    _HN2    19     1.01602   118.96551    -0.34321
   20    18 S   CT1  _CA2    20     1.46289   123.37642   176.37809
   21    20 S   HC   _HA2    21     1.09735   109.44090    -3.53934
   22    20 S   C    _C2_    22     1.53473   108.32637  -118.89776
   23    22 S   O    _O2_    23     1.23038   122.37816  -147.66840
   24    20 S   CT   _CB2    32     1.53197   111.43788   118.70956
   25    24 S   HC   HB21    33     1.09386   109.60926    55.57214
   26    24 S   HC   HB22    34     1.09508   110.78887   173.79357
   27    22 S   N    _N3_    24     1.38370   113.54307    39.87033
   28    27 S   H    _HN3    25     1.01617   119.51603    -3.65415
   29    24 S   S    _SG2    35     1.82849   111.26198   -67.28145
   30    27 S   CT   _CA3    26     1.45281   123.17209   176.98066
   31    30 S   HC   HA31    27     1.09551   107.55488   -63.31415
   32    30 S   HC   HA32    28     1.09558   107.92015    53.09893
   33    29 S   CT   _C14    36     1.84554   100.05108   143.69295
   34    33 S   HC   _H3_    37     1.09561   106.12745    46.59505
   35    30 S   CO3  _C3_    29     1.52946   114.11509   175.07248
   36    35 S   O2Z  _O31    30     1.26369   116.06716    -0.23490
   37    35 S   O2Z  _O32    31     1.26431   114.41069   179.81337
   38    33 S   CA   _C10    38     1.52315   110.96075   -73.86418
   39    33 S   CT   _C15    56     1.54015   108.09379   161.73623
   40    39 S   HC   _H10    57     1.09758   110.27384   -52.14445
   41    39 S   HC   _H11    58     1.09589   111.17468    67.50961
   42    38 S   CA   _C11    39     1.40748   120.86190   -63.58010
   43    42 S   HA   _H8_    40     1.08931   119.38802     0.31528
   44    38 S   CA   _C9_    53     1.40172   121.45334   116.39471
   45    39 S   CO4  _C16    59     1.51458   112.79973  -170.51548
   46    45 S   O    _O33    60     1.22421   125.41708    16.79433
   47    42 S   CA   _C12    41     1.40603   121.80997   179.98022
   48    44 S   OH   _O36    54     1.37010   119.38253    -0.25564
   49    48 S   HO   _H12    55     0.97201   108.99732   176.71616
   50    45 S   CO3  _C17    61     1.50884   119.85847  -165.61467
   51    50 S   O2Z  _O35    62     1.26665   116.44398   175.07630
   52    50 S   O2Z  _O34    63     1.26623   115.43304    -4.98853
   53    47 S   CA   _C13    42     1.40406   121.39947  -179.90309
   54    53 S   HA   _H9_    43     1.08811   120.59929     0.34830
   55    53 S   CA   _C4_    44     1.39498   120.71712   180.00000
   56    55 S   HA   _H4_    45     1.08642   119.88527  -179.45142
   57    55 S   CA   _C5_    46     1.39110   120.04826    -0.12511
   58    57 S   HA   _H5_    47     1.08613   119.98815  -179.62051
   59    57 S   CA   _C6_    48     1.39481   119.96761     0.10468
   60    59 S   HA   _H6_    49     1.08789   118.76852  -179.92598
   61    47 S   CA   _C7_    50     1.41202   119.36823     0.02798
   62    61 S   CA   _C8_    51     1.40167   119.20025    -0.01978
   63    62 S   HA   _H7_    52     1.08801   119.77592  -179.92598
  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
  14   7   2   1   1  14   9   4   3  10   4   7   4   3  10   4
   1   2   1   1   8   4   6   3   5   3   4   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    62    44    48    39    40    41    45    46    50  
   38    42    44    39    40    41    45  
   36    37  
   37  
    0  
   42    43    47    53    61    62    63    44    48    49    39    40    41    45  
   40    41    45    46    50    51    52    42    44  
   41    45    46    50  
   45    46    50  
   43    47    53    54    55    59    61    62    44    48  
   47    53    61    44  
   48    49    47    59    61    62    63  
   46    50    51    52  
   50    51    52  
   53    54    55    56    57    59    60    61    62    63  
   49    61    62    63  
   62  
   51    52  
   52  
    0  
   54    55    56    57    58    59    61    62  
   55    56    57    61  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62  
   59    60    61  
   60    61    62    63  
   61    62  
   62    63  
   63  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   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
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    42   469.000  1.400
   38    44   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    53   469.000  1.400
   47    61   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   62    63   367.000  1.080
   62    44   469.000  1.400
   44    48   450.000  1.364
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   317.000  1.522
   45    46   570.000  1.229
   45    50   250.000  1.524
   50    51   656.000  1.250
   50    52   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    42    70.00000  120.00000
   33    38    44    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    44    62    63.00000  120.00000
   38    44    48    70.00000  120.00000
   42    47    53    63.00000  120.00000
   42    47    61    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    55    63.00000  120.00000
   47    61    59    63.00000  120.00000
   47    61    62    63.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    63.00000  120.00000
   61    47    53    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    44    63.00000  120.00000
   62    44    48    70.00000  120.00000
   44    38    42    63.00000  120.00000
   44    62    63    35.00000  120.00000
   44    48    49    35.00000  113.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    45    46    80.00000  120.40000
   39    45    50    65.00000  114.64000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   45    50    51    85.00000  112.82000
   45    50    52    85.00000  112.82000
   50    45    46    80.00000  120.92000
   52    50    51    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    44  -0.16000  1.0 1.0
   29    33    38    44  -0.03200 -1.0 2.0
   29    33    38    44   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  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    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    44    62   3.62500 -1.0 2.0
   33    38    44    48   3.62500 -1.0 2.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    50   0.65300  1.0 1.0
   33    39    45    50  -0.03850 -1.0 2.0
   33    39    45    50   0.33900  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  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    41   0.43200  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    42    47    53   3.62500 -1.0 2.0
   38    42    47    61   3.62500 -1.0 2.0
   38    44    48    49   0.84100 -1.0 2.0
   42    38    44    62   3.62500 -1.0 2.0
   42    38    44    48   3.62500 -1.0 2.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47    53    55   3.62500 -1.0 2.0
   42    47    61    59   3.62500 -1.0 2.0
   42    47   -61    62   3.62500 -1.0 2.0
   43    42    47    53   3.62500 -1.0 2.0
   43    42    47    61   3.62500 -1.0 2.0
   47    53    55    56   3.62500 -1.0 2.0
   47    53    55    57   3.62500 -1.0 2.0
   47    61    62    63   3.62500 -1.0 2.0
   47    61    62    44   3.62500 -1.0 2.0
   53    47    61    59   3.62500 -1.0 2.0
   53    47    61    62   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59   -61    47   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    44   3.62500 -1.0 2.0
   60    59    61    47   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    47    53    54   3.62500 -1.0 2.0
   61    47   -53    55   3.62500 -1.0 2.0
   61    62   -44    38   3.62500 -1.0 2.0
   61    62    44    48   3.62500 -1.0 2.0
   62    44    48    49   0.84100 -1.0 2.0
   63    62    44    38   3.62500 -1.0 2.0
   63    62    44    48   3.62500 -1.0 2.0
   44    38    42    43   3.62500 -1.0 2.0
   44    38   -42    47   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    44   0.04150 -1.0 2.0
   39    45    50    51   0.49600 -1.0 2.0
   39    45    50    52   0.49600 -1.0 2.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    50   0.00000  1.0 1.0
   41    39    45    46   0.00000  1.0 1.0
   41    39    45    50   0.00000  1.0 1.0
   46    45    50    51   0.06100 -1.0 2.0
   46    45    50    52   0.06100 -1.0 2.0
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
   42    44    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   53    61    47    42   4.00000 -1.0 2.0
   55    54    53    47   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    62    61    47   4.00000 -1.0 2.0
   44    63    62    61   1.10000 -1.0 2.0
   62    48    44    38   4.00000 -1.0 2.0
   39    50    45    46  10.50000 -1.0 2.0
   51    45    50    52  10.50000 -1.0 2.0
END
