* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    123    191     360
    1     0 S   NP   _N1_     1    28.73688    95.61126   -23.92747
    2     1 S   H    _HN1     2     1.02950    76.20999    13.28108
    3     1 S   H    _H1_     3     1.02830    32.96673   172.35191
    4     1 S   H    _H2_     4     1.02785   107.71306   -91.91014
    5     1 S   CT   _CA1     5     1.50105   134.14080   118.48670
    6     5 S   HC   _HA1     6     1.09572   105.21243    87.24403
    7     5 S   CO3  _C1_     7     1.53792   112.45387   -33.02095
    8     7 S   O2Z  _O11     8     1.26371   115.00750   -42.89480
    9     7 S   O2Z  _O12     9     1.26240   114.94830   136.29593
   10     5 S   CT   _CB1    10     1.53089   107.43184  -154.75909
   11    10 S   HC   HB11    11     1.09830   109.39966   -49.80695
   12    10 S   HC   HB12    12     1.09814   110.43287    66.80511
   13    10 S   CT   _CG1    13     1.52988   112.59315  -170.79436
   14    13 S   HC   HG11    14     1.09583   110.60687   -64.89838
   15    13 S   HC   HG12    15     1.09669   109.81176    54.32590
   16    13 S   C    _CD1    16     1.51798   112.27296   174.79418
   17    16 S   O    _OE1    17     1.22726   123.31160     5.51843
   18    16 S   N    _N2_    18     1.38658   111.64597  -174.62345
   19    18 S   H    _HN2    19     1.01591   118.92901     1.88118
   20    18 S   CT1  _CA2    20     1.46199   123.39981   177.72256
   21    20 S   HC   _HA2    21     1.09737   109.35219     1.16969
   22    20 S   C    _C2_    22     1.53545   108.63283  -114.27073
   23    22 S   O    _O2_    23     1.23052   122.28168  -148.54221
   24    20 S   CT   _CB2    32     1.53293   111.56247   123.16812
   25    24 S   HC   HB21    33     1.09626   110.11916    56.11099
   26    24 S   HC   HB22    34     1.09552   110.23915   174.98241
   27    22 S   N    _N3_    24     1.38329   113.69421    38.95419
   28    27 S   H    _HN3    25     1.01591   119.57880    -3.43216
   29    24 S   S    _SG2    35     1.82350   111.65649   -65.00362
   30    27 S   CT   _CA3    26     1.45289   123.20485   177.08509
   31    30 S   HC   HA31    27     1.09549   107.51953   -64.33408
   32    30 S   HC   HA32    28     1.09556   107.97479    52.10506
   33    29 S   CO4  _C20    36     1.76942   100.36535   178.95022
   34    33 S   O    _O36    37     1.22593   121.66339    -0.20077
   35    30 S   CO3  _C3_    29     1.52957   114.07623   174.09090
   36    35 S   O2Z  _O31    30     1.26377   116.05526    -0.69661
   37    35 S   O2Z  _O32    31     1.26427   114.41632   179.36388
   38    33 S   OS   _O35    38     1.39393   113.39149   179.84805
   39    38 S   CA   _C17    39     1.39657   113.46677   179.95154
   40    39 S   CA   _C16    40     1.39094   119.35814   -90.92472
   41    40 S   HA   _H14    41     1.08594   120.68956     1.59373
   42    40 S   CA   _C15    42     1.39718   119.34615  -178.60478
   43    42 S   HA   _H13    43     1.08589   117.43517  -179.62154
   44    42 S   CA   _C14    44     1.40719   121.12289     0.47271
   45    44 S   CA   _C19    45     1.41309   117.79748     0.52934
   46    45 S   HA   _H16    46     1.08803   120.34548   179.57572
   47    44 S   CT   _C5_    49     1.54657   122.74806  -179.77358
   48    39 S   CA   _C18    47     1.38979   119.31217    91.91309
   49    48 S   HA   _H15    48     1.08560   120.86818    -1.66319
   50    47 S   CA   _C7_    50     1.54661   110.58656   124.06033
   51    47 S   CT   _C4_    64     1.55237   113.83176     4.17594
   52    51 S   HC   _H3_    65     1.09743   111.03909   178.36326
   53    51 S   HC   _H4_    66     1.09670   111.60382   -62.28658
   54    51 S   HC   _H5_    67     1.09632   112.45197    58.54183
   55    47 S   CT   _C6_    68     1.55237   106.53700  -111.76208
   56    55 S   HC   _H6_    69     1.09670   111.60377   175.55318
   57    55 S   HC   _H7_    70     1.09632   112.45280   -63.61919
   58    55 S   HC   _H8_    71     1.09742   111.03857    56.20335
   59    50 S   CA   _C8_    51     1.40719   122.74819   124.08325
   60    59 S   HA   _H9_    52     1.08590   121.43847     0.31404
   61    59 S   CA   _C9_    53     1.39721   121.12381  -179.78694
   62    61 S   HA   _H10    54     1.08594   119.94786  -179.71401
   63    61 S   CA   _C10    55     1.39089   119.34003     0.46981
   64    63 S   CA   _C11    56     1.38975   121.27939    -1.48622
   65    64 S   HA   _H11    57     1.08559   120.89202  -178.76441
   66    63 S   OS   _O33    60     1.39705   119.35634  -178.57935
   67    50 S   CA   _C12    58     1.41310   119.45474   -56.22951
   68    67 S   HA   _H12    59     1.08805   120.34171    -0.12195
   69    66 S   CO4  _C13    61     1.39894   113.93966   -90.94318
   70    69 S   O    _O34    62     1.22805   123.70750     0.06853
   71    69 S   Cl   Cl1_    63     1.74550   111.99868  -179.94405
  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   4   5   4   3
   5   2   2   1   1   7   9   8   4   9   3  16   7   3  16   1
   1  17   9   3   2   1   5   2   1   1   8   4   7   3   8   5
   3   4   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    48  
   38    39  
   36    37  
   37  
    0  
   39    40    41    42    45    48    49  
   40    41    42    43    44    45    46    48    49  
   41    42    43    44    45    48    49    47  
   42    43    44    48  
   43    44    45    46    48    47    50    51    55  
   44    45    47  
   45    46    48    49    47    50    59    67    51    52    53    54    55    56    57    58  
   46    48    49    47    50    51    55  
   48    49    47  
   50    59    60    61    64    67    68    51    52    53    54    55    56    57    58    48  
   49  
    0  
   59    60    61    62    63    64    65    67    68    51    52    53    54    55    56    57    58  
   52    53    54    55    56    57    58    59    67  
   53    54    55  
   54    55  
   55  
   56    57    58    59    67  
   57    58  
   58  
    0  
   60    61    62    63    64    67    68    66  
   61    62    63    67  
   62    63    64    65    67    66    69  
   63    64    66  
   64    65    67    68    66    69    70    71  
   65    67    68    66    69  
   67    68    66  
   69    70    71    67  
   68  
    0  
   70    71  
   71  
    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   0.562400   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   39   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.662500   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.4000   0.3000  -0.152500   2.1950   1.9500   0.001000000   0.320982824
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   214.000  1.327
   38    39   450.000  1.364
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   317.000  1.510
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   47    50   317.000  1.510
   47    51   268.000  1.529
   47    55   268.000  1.529
   50    59   469.000  1.400
   50    67   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    68   367.000  1.080
   66    69   214.000  1.327
   69    70   570.000  1.229
   69    71   180.000  1.815
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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    90.00000  110.02000
   33    38    39    85.00000  115.98000
   38    33    34    83.00000  123.40000
   38    39    40    70.00000  120.00000
   38    39    48    70.00000  120.00000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    45    63.00000  120.00000
   39    48    49    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    70.00000  120.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    50    70.00000  112.04700
   44    47    51    70.00000  112.17500
   44    47    55    70.00000  112.17500
   45    48    49    35.00000  120.00000
   48    39    40    63.00000  120.00000
   48    45    46    35.00000  120.00000
   47    44    45    70.00000  120.00000
   47    50    59    70.00000  120.00000
   47    50    67    70.00000  120.00000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    58    37.50000  110.70000
   50    59    60    35.00000  120.00000
   50    59    61    63.00000  120.00000
   50    67    64    63.00000  120.00000
   50    67    68    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    66    70.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    67    63.00000  120.00000
   63    66    69    85.00000  115.98000
   64    67    68    35.00000  120.00000
   67    50    59    63.00000  120.00000
   67    64    65    35.00000  120.00000
   66    63    64    70.00000  120.00000
   66    69    70    83.00000  123.40000
   66    69    71    75.00000  119.00000
   71    69    70    80.00000  119.42700
   51    47    50    70.00000  112.17500
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    47    50    70.00000  112.17500
   55    47    51    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.00000  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   2.00000 -1.0 2.0
   33    38    39    40   0.01300  1.0 1.0
   33    38    39    40   0.97950 -1.0 2.0
   33    38    39    40  -0.55700  1.0 3.0
   33    38    39    48   0.01300  1.0 1.0
   33    38    39    48   0.97950 -1.0 2.0
   33    38    39    48  -0.55700  1.0 3.0
   34    33    38    39   3.00000 -1.0 2.0
   38    39    40    41   3.62500 -1.0 2.0
   38    39    40    42   3.62500 -1.0 2.0
   38    39    48    45   3.62500 -1.0 2.0
   38    39    48    49   3.62500 -1.0 2.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    48    45   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    48   3.62500 -1.0 2.0
   42    44    47    50   0.04300 -1.0 2.0
   42    44    47    51   0.04150 -1.0 2.0
   42    44    47    55   0.04150 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -48    39   3.62500 -1.0 2.0
   44    45    48    49   3.62500 -1.0 2.0
   44    47    50    59   0.04300 -1.0 2.0
   44    47    50    67   0.04300 -1.0 2.0
   44    47    51    52   0.43200  1.0 3.0
   44    47    51    53   0.43200  1.0 3.0
   44    47    51    54   0.43200  1.0 3.0
   44    47    55    56   0.43200  1.0 3.0
   44    47    55    57   0.43200  1.0 3.0
   44    47    55    58   0.43200  1.0 3.0
   45    44    47    50   0.04300 -1.0 2.0
   45    44    47    51   0.04150 -1.0 2.0
   45    44    47    55   0.04150 -1.0 2.0
   46    45    48    39   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    48   3.62500 -1.0 2.0
   47    50    59    60   3.62500 -1.0 2.0
   47    50    59    61   3.62500 -1.0 2.0
   47    50    67    64   3.62500 -1.0 2.0
   47    50    67    68   3.62500 -1.0 2.0
   50    47    51    52   0.43200  1.0 3.0
   50    47    51    53   0.43200  1.0 3.0
   50    47    51    54   0.43200  1.0 3.0
   50    47    55    56   0.43200  1.0 3.0
   50    47    55    57   0.43200  1.0 3.0
   50    47    55    58   0.43200  1.0 3.0
   50    59    61    62   3.62500 -1.0 2.0
   50    59    61    63   3.62500 -1.0 2.0
   59    50    67    64   3.62500 -1.0 2.0
   59    50    67    68   3.62500 -1.0 2.0
   59    61   -63    64   3.62500 -1.0 2.0
   59    61    63    66   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    67   3.62500 -1.0 2.0
   61    63    66    69   0.01300  1.0 1.0
   61    63    66    69   0.97950 -1.0 2.0
   61    63    66    69  -0.55700  1.0 3.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    66   3.62500 -1.0 2.0
   63    64   -67    50   3.62500 -1.0 2.0
   63    64    67    68   3.62500 -1.0 2.0
   63    66    69    70   3.00000 -1.0 2.0
   63    66    69    71   2.00000 -1.0 2.0
   64    63    66    69   0.01300  1.0 1.0
   64    63    66    69   0.97950 -1.0 2.0
   64    63    66    69  -0.55700  1.0 3.0
   65    64    67    50   3.62500 -1.0 2.0
   65    64    67    68   3.62500 -1.0 2.0
   67    50    59    60   3.62500 -1.0 2.0
   67    50   -59    61   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    67   3.62500 -1.0 2.0
   51    47    50    59   0.04150 -1.0 2.0
   51    47    50    67   0.04150 -1.0 2.0
   51    47    55    56   0.15000  1.0 3.0
   51    47    55    57   0.15000  1.0 3.0
   51    47    55    58   0.15000  1.0 3.0
   55    47    50    59   0.04150 -1.0 2.0
   55    47    50    67   0.04150 -1.0 2.0
   55    47    51    52   0.15000  1.0 3.0
   55    47    51    53   0.15000  1.0 3.0
   55    47    51    54   0.15000  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
   40    48    39    38   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   45    49    48    39   1.10000 -1.0 2.0
   59    67    50    47   4.00000 -1.0 2.0
   61    60    59    50   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   64    66    63    61   4.00000 -1.0 2.0
   67    65    64    63   1.10000 -1.0 2.0
   64    68    67    50   1.10000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
END
