* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    126    186     361
    1     0 S   NP   _N1_     1    29.01189    92.34525   -19.13604
    2     1 S   H    _HN1     2     1.02967   103.72234    31.97941
    3     1 S   H    _H1_     3     1.02843    27.29772   132.63539
    4     1 S   H    _H2_     4     1.02795    83.76326   -75.32487
    5     1 S   CT   _CA1     5     1.50101   134.09962   169.61662
    6     5 S   HC   _HA1     6     1.09568   105.28909    42.11472
    7     5 S   CO3  _C1_     7     1.53803   112.50860   -78.14966
    8     7 S   O2Z  _O11     8     1.26377   115.21758   -42.11504
    9     7 S   O2Z  _O12     9     1.26246   115.08192   137.67255
   10     5 S   CT   _CB1    10     1.53142   107.39240   160.06972
   11    10 S   HC   HB11    11     1.09821   109.48208   -50.66188
   12    10 S   HC   HB12    12     1.09774   110.25025    65.77065
   13    10 S   CT   _CG1    13     1.53005   112.79072  -171.78616
   14    13 S   HC   HG11    14     1.09481   110.34310   -59.53668
   15    13 S   HC   HG12    15     1.09622   110.11880    59.64689
   16    13 S   C    _CD1    16     1.51784   112.34777  -179.81762
   17    16 S   O    _OE1    17     1.22710   123.19439    -8.45313
   18    16 S   N    _N2_    18     1.38648   111.65204   171.71319
   19    18 S   H    _HN2    19     1.01577   119.04063     2.01091
   20    18 S   CT1  _CA2    20     1.46309   123.40778  -177.60036
   21    20 S   HC   _HA2    21     1.09730   109.36201   -13.64437
   22    20 S   C    _C2_    22     1.53371   108.26564  -129.43003
   23    22 S   O    _O2_    23     1.23005   122.25654  -145.02304
   24    20 S   CT   _CB2    32     1.53549   111.35685   108.43212
   25    24 S   HC   HB21    33     1.09417   109.44275    56.13839
   26    24 S   HC   HB22    34     1.09507   110.56268   174.88894
   27    22 S   N    _N3_    24     1.38510   113.32527    42.22713
   28    27 S   H    _HN3    25     1.01529   118.92720    -0.39713
   29    24 S   S    _SG2    35     1.82628   111.47510   -65.42654
   30    27 S   CT   _CA3    26     1.45450   123.42874   175.16568
   31    30 S   HC   HA31    27     1.09523   109.22576    24.59302
   32    30 S   HC   HA32    28     1.09495   107.12377   141.60108
   33    29 S   CT   _C17    36     1.82472   100.24344   169.58363
   34    33 S   HC   _H19    37     1.09372   106.31967   169.11745
   35    33 S   HC   _H20    38     1.09560   108.73971    55.32698
   36    30 S   CO3  _C3_    29     1.52927   113.12412   -98.87259
   37    36 S   O2Z  _O31    30     1.26401   115.40995   -44.17449
   38    36 S   O2Z  _O32    31     1.26355   114.97598   136.75731
   39    33 S   CT   _C16    39     1.53554   115.53415   -68.53437
   40    39 S   HC   _H17    40     1.09739   109.22432  -170.74152
   41    39 S   HC   _H18    41     1.09777   108.48748    76.43518
   42    39 S   CA   _C6_    42     1.51713   116.19094   -47.54081
   43    42 S   CA   _C7_    43     1.40004   117.43880   114.20499
   44    43 S   HA   _H6_    44     1.08748   120.75309     1.72397
   45    43 S   CA   _C8_    45     1.38082   120.43367  -177.86742
   46    45 S   HA   _H7_    46     1.08526   120.77239   179.98022
   47    45 S   CA   _C9_    47     1.37965   118.74980     1.58016
   48    47 S   HA   _H8_    48     1.08484   120.77275   178.19290
   49    47 S   NAP  _N4_    49     1.35466   121.91793    -0.83298
   50    42 S   CA   _C5_    50     1.41798   123.53591   -65.08290
   51    49 S   CT   _C10    55     1.49537   116.92876   176.46836
   52    51 S   HC   _H9_    56     1.09420   105.90338   124.00887
   53    51 S   HC   _H10    57     1.09635   108.84804     9.93512
   54    50 S   CT   _C4_    51     1.50441   121.16944    -3.49222
   55    54 S   HC   _H3_    52     1.09357   110.16152    90.67907
   56    54 S   HC   _H4_    53     1.09190   112.22674  -147.64791
   57    54 S   HC   _H5_    54     1.09361   111.58035   -30.16581
   58    51 S   CA   _C11    58     1.50449   113.36763  -110.94527
   59    58 S   CA   _C12    59     1.38854   121.89646    34.76808
   60    59 S   HA   _H11    60     1.08546   121.62071    -0.49772
   61    59 S   NB   _N5_    61     1.34672   124.62289   179.84423
   62    61 S   CQ   _C13    62     1.34340   115.49844     0.01978
   63    62 S   NB   _N6_    63     1.34880   125.11318    -1.74001
   64    62 S   CT   _C15    68     1.49510   117.46568  -179.38515
   65    64 S   HC   _H14    69     1.09382   109.69130    88.99229
   66    64 S   HC   _H15    70     1.09430   110.63851  -150.95533
   67    64 S   HC   _H16    71     1.09433   110.64609   -31.05993
   68    58 S   CA   _C14    64     1.39392   122.83392  -148.18522
   69    68 S   NE   _N7_    65     1.39162   121.12204     2.13607
   70    69 S   H    _H12    66     1.01153   119.15393   -36.29602
   71    69 S   H    _H13    67     1.01357   115.64010   177.48658
  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   7   5   4   3
   8   5   4   2   1   1   9   4   3  12   8   4   6   3   8   3
  11   8  10   4   3   3   2   1   1   9   7   3   7   7   8   4
   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    50  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    50    54  
   41    42    43    50  
   42    43    50  
   43    44    45    46    47    49    50    54    55    56    57    51  
   44    45    46    47    48    49    50    54  
   45    46    47    50  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    54    51    52    53    58  
   49    50    51  
   50    54    55    56    57    51    52    53    58    59    68  
   54    55    56    57    51    52    53    58  
   52    53    58    59    60    61    63    68    69    54  
   53    58    59    68  
   58    59    68  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    68    69    70    71  
   60    61    62    63    68    69    64  
   61    62    68  
   62    63    68    64    65    66    67  
   63    68    69    64    65    66    67  
   68    69    70    71    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   50   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.117500   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   62   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   64   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.510
   42    43   469.000  1.400
   42    50   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   485.000  1.342
   49    50   485.000  1.342
   49    51   280.000  1.457
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   317.000  1.510
   58    59   469.000  1.400
   58    68   469.000  1.400
   59    60   367.000  1.080
   59    61   483.000  1.339
   61    62   502.000  1.324
   62    63   502.000  1.324
   62    64   317.000  1.510
   63    68   483.000  1.339
   68    69   481.000  1.340
   69    70   434.000  1.010
   69    71   434.000  1.010
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  112.17500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    70.00000  120.00000
   39    42    50    70.00000  120.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    35.00000  120.00000
   42    43    45    63.00000  120.00000
   42    50    49    70.00000  119.29800
   42    50    54    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    47    63.00000  120.00000
   45    43    44    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    70.00000  119.29800
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  123.81700
   47    49    51    70.00000  119.18700
   49    47    48    45.00000  112.84900
   49    50    54    70.00000  116.21300
   49    51    52    50.00000  106.41000
   49    51    53    50.00000  106.41000
   49    51    58    75.00000  110.00000
   50    42    43    63.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    49    50    70.00000  119.18700
   51    58    59    70.00000  120.00000
   51    58    68    70.00000  120.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    59    60    35.00000  120.00000
   58    59    61    70.00000  124.00000
   58    68    63    70.00000  124.00000
   58    68    69    70.00000  120.10000
   59    61    62    70.00000  118.60000
   61    59    60    35.00000  116.00000
   61    62    63    70.00000  129.10000
   61    62    64    75.00000  115.74700
   62    63    68    70.00000  118.60000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   63    68    69    80.00000  117.25000
   68    58    59    63.00000  120.00000
   68    69    70    35.00000  113.50000
   68    69    71    35.00000  113.50000
   71    69    70    35.00000  109.00000
   64    62    63    75.00000  115.74700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.04150 -1.0 2.0
   33    39    42    50   0.04150 -1.0 2.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.43200  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.43200  1.0 3.0
   39    42    43    44   3.62500 -1.0 2.0
   39    42    43    45   3.62500 -1.0 2.0
   39    42    50    49   3.62500 -1.0 2.0
   39    42    50    54   3.62500 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    50   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    50   0.00000  1.0 1.0
   42    43    45    46   3.62500 -1.0 2.0
   42    43    45    47   3.62500 -1.0 2.0
   42    50    54    55   0.00000  1.0 1.0
   42    50    54    56   0.00000  1.0 1.0
   42    50    54    57   0.00000  1.0 1.0
   43    42    50    49   3.62500 -1.0 2.0
   43    42    50    54   3.62500 -1.0 2.0
   43    45    47    48   3.62500 -1.0 2.0
   43    45   -47    49   3.62500 -1.0 2.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49   -50    42   3.62500 -1.0 2.0
   47    49    50    54   3.62500 -1.0 2.0
   47    49    51    52   0.00000  1.0 1.0
   47    49    51    53   0.00000  1.0 1.0
   47    49    51    58   0.00000  1.0 1.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50    54    57   0.00000  1.0 1.0
   49    51    58    59   0.04300 -1.0 2.0
   49    51    58    68   0.04300 -1.0 2.0
   50    42    43    44   3.62500 -1.0 2.0
   50    42   -43    45   3.62500 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    58   0.00000  1.0 1.0
   51    49    50    42   3.62500 -1.0 2.0
   51    49    50    54   3.62500 -1.0 2.0
   51    58    59    60   3.62500 -1.0 2.0
   51    58    59    61   3.62500 -1.0 2.0
   51    58    68    63   3.62500 -1.0 2.0
   51    58    68    69   3.62500 -1.0 2.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    68   0.00000  1.0 1.0
   53    51    58    59   0.00000  1.0 1.0
   53    51    58    68   0.00000  1.0 1.0
   58    59    61    62   3.62500 -1.0 2.0
   58    68    69    70   1.00000 -1.0 2.0
   58    68    69    71   1.00000 -1.0 2.0
   59    58    68    63   3.62500 -1.0 2.0
   59    58    68    69   3.62500 -1.0 2.0
   59    61   -62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    62    63    68   3.62500 -1.0 2.0
   61    62    64    65   0.00000  1.0 1.0
   61    62    64    66   0.00000  1.0 1.0
   61    62    64    67   0.00000  1.0 1.0
   62    63   -68    58   3.62500 -1.0 2.0
   62    63    68    69   3.62500 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   63    68    69    70   1.75000 -1.0 2.0
   63    68    69    71   1.75000 -1.0 2.0
   68    58    59    60   3.62500 -1.0 2.0
   68    58   -59    61   3.62500 -1.0 2.0
   64    62    63    68   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   43    50    42    39   4.00000 -1.0 2.0
   45    44    43    42   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    51    49    47   4.00000 -1.0 2.0
   49    54    50    42   4.00000 -1.0 2.0
   59    68    58    51   4.00000 -1.0 2.0
   61    60    59    58   1.10000 -1.0 2.0
   64    63    62    61   4.00000 -1.0 2.0
   63    69    68    58   4.00000 -1.0 2.0
   71    68    69    70   1.00000 -1.0 2.0
END
