* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    224     405
    1     0 S   NP   _N1_     1    28.04399    95.70594   -24.79938
    2     1 S   H    _HN1     2     1.02835    28.18800   169.98180
    3     1 S   H    _H1_     3     1.02776   110.97910  -101.09916
    4     1 S   H    _H2_     4     1.02957    79.78585     4.76473
    5     1 S   CT   _CA1     5     1.50135   128.88367   112.78805
    6     5 S   HC   _HA1     6     1.09574   105.20351    84.29760
    7     5 S   CO3  _C1_     7     1.53748   112.36645   -35.89926
    8     7 S   O2Z  _O11     8     1.26366   114.98322   -43.68720
    9     7 S   O2Z  _O12     9     1.26224   114.91182   135.34801
   10     5 S   CT   _CB1    10     1.53074   107.42385  -157.78234
   11    10 S   HC   HB11    11     1.09833   109.26847   -50.35033
   12    10 S   HC   HB12    12     1.09816   110.44603    66.17046
   13    10 S   CT   _CG1    13     1.53058   112.74138  -171.40253
   14    13 S   HC   HG11    14     1.09585   110.58475   -65.87353
   15    13 S   HC   HG12    15     1.09659   109.86125    53.38386
   16    13 S   C    _CD1    16     1.51839   112.14904   173.73778
   17    16 S   O    _OE1    17     1.22772   123.21601     4.53389
   18    16 S   N    _N2_    18     1.38583   111.87665  -175.51179
   19    18 S   H    _HN2    19     1.01563   119.12671     3.80277
   20    18 S   CT1  _CA2    20     1.45839   122.62281   176.72565
   21    20 S   HC   _HA2    21     1.09720   108.91472    26.05004
   22    20 S   C    _C2_    22     1.52939   106.61900   -91.09686
   23    22 S   O    _O2_    23     1.23006   122.91134   -30.48273
   24    20 S   CT   _CB2    32     1.53278   112.52173   149.41525
   25    24 S   HC   HB21    33     1.09410   109.83409    55.20743
   26    24 S   HC   HB22    34     1.09427   109.38349   173.72093
   27    22 S   N    _N3_    24     1.38466   112.72982   152.22437
   28    27 S   H    _HN3    25     1.01664   120.42929    -1.62775
   29    24 S   S    _SG2    35     1.82880   110.91744   -66.09805
   30    27 S   CT   _CA3    26     1.45370   122.35876   178.76615
   31    30 S   HC   HA31    27     1.09568   107.58392   -60.63994
   32    30 S   HC   HA32    28     1.09571   107.80391    55.65229
   33    29 S   CT   _C13    36     1.86629   101.57915   178.47787
   34    30 S   CO3  _C3_    29     1.52870   114.43849   177.57287
   35    34 S   O2Z  _O31    30     1.26316   116.08794    -1.04493
   36    34 S   O2Z  _O32    31     1.26451   114.39158   178.99245
   37    33 S   CM   _C18    37     1.49879   109.12101    60.55421
   38    37 S   HC   _H14    38     1.08991   116.10550   -81.77384
   39    33 S   CT   _C12    49     1.53356   112.16885   -68.64917
   40    39 S   HC   _H11    50     1.09970   109.90113   160.96396
   41    39 S   HC   _H12    51     1.09453   114.21925    42.35950
   42    37 S   CMA  _C17    39     1.34969   125.88297    96.83890
   43    42 S   OM   _O34    40     1.26184   129.43302  -177.95867
   44    42 S   CO4  _C16    41     1.52163   114.95870     1.60669
   45    44 S   O    _O33    42     1.23055   122.87285  -164.22553
   46    44 S   CM   _C15    43     1.48623   118.52275    19.19920
   47    46 S   HC   _H13    44     1.08277   116.44980   158.19123
   48    33 S   CM   _C14    45     1.51717   107.29653  -177.45309
   49    48 S   NE   _N5_    46     1.40084   109.35687    87.24906
   50    49 S   CT1  _C11    47     1.47436   110.34026    13.60470
   51    50 S   HC   _H4_    48     1.09722   109.86823  -109.22363
   52    49 S   CM   _C10    55     1.39058   125.30674  -161.20363
   53    52 S   HC   _H10    56     1.08402   111.16807    -4.51137
   54    50 S   CO3  _C19    52     1.52967   114.28489   124.54449
   55    54 S   O2Z  _O36    53     1.26344   116.79124   -41.42860
   56    54 S   O2Z  _O35    54     1.26616   114.24055   139.47299
   57    52 S   CM   _C9_    57     1.34343   130.05865   173.50919
   58    57 S   HC   _H9_    58     1.08771   118.42145    -0.02798
   59    57 S   CM   _C8_    59     1.46130   126.47045  -178.56660
   60    59 S   CM   _C7_    60     1.34858   119.86719   174.21250
   61    60 S   HC   _H8_    61     1.08600   120.72450     0.38155
   62    60 S   CM   _C6_    62     1.44548   121.81066  -176.87119
   63    62 S   NE   _N4_    63     1.37536   118.65447    -6.29136
   64    63 S   H    _H7_    64     1.01563   115.57605  -178.85551
   65    62 S   CMA  _C20    73     1.52704   120.23311   170.69614
   66    65 S   OM   _O38    74     1.26495   121.88393    37.60017
   67    65 S   OM   _O37    75     1.26547   120.36691  -143.36608
   68    63 S   CT1  _C5_    65     1.45064   124.29367   -11.39510
   69    68 S   HC   _H3_    66     1.09799   108.60498   148.47480
   70    59 S   CT   _C4_    67     1.52077   119.90084    -4.07862
   71    70 S   HC   _H5_    68     1.09626   110.69518   -39.48701
   72    70 S   HC   _H6_    69     1.09898   107.12533    76.21346
   73    68 S   CO3  _C21    70     1.54305   106.80528   -97.56848
   74    73 S   O2Z  _O40    71     1.26325   116.69972   111.55668
   75    73 S   O2Z  _O39    72     1.26788   114.59991   -70.09798
  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  11   5   4   3
  16   2   1   1  12   5  12   6   5   6   3   5   3   5   2   7
  10   7   4   7   3   2   1   1   9   3  11  11   4   9  12   5
   3   1   1   7   6   5   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    50    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    51    39    40    41    54    52  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    50    39    40    41  
   42    43    44    48    39  
   40    41    54    55    56    52    42    46    48    49    50    51  
   41    54    48    49    50    51  
   54    48    49    50    51  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50    52  
   48    49  
   49    50    51    54    52    53    57  
   50    51    54    55    56    52    53    57    58    59  
   51    54    55    56    52    53    57  
   54    55    56    52  
   53    57    58    59    60    70    54  
   57    58    59  
   55    56  
   56  
    0  
   58    59    60    61    62    68    70    71    72  
   59    60    70  
   60    61    62    63    68    69    70    71    72    73    65  
   61    62    63    64    68    70    71    72    65    66    67  
   62    63    70    65  
   63    64    68    69    70    73    65    66    67  
   64    68    69    70    71    72    73    74    75    65    66    67  
   68    69    70    73    65  
   66    67    68  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73  
   73  
   74    75  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2500   0.1700  -0.158500   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   63   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   67   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    48   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.476
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   425.000  1.378
   49    50   382.000  1.448
   49    52   425.000  1.378
   50    51   340.000  1.090
   50    39   268.000  1.529
   50    54   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    59   380.000  1.444
   59    60   549.000  1.340
   59    70   317.000  1.510
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   425.000  1.378
   62    65   465.000  1.376
   63    64   434.000  1.010
   63    68   382.000  1.448
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    73   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   73    74   656.000  1.250
   73    75   656.000  1.250
   65    66   745.000  1.250
   65    67   745.000  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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    48    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  124.00000
   33    48    49    75.00000  116.24600
   33    39    50    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  114.61000
   42    37    38    40.00000  120.50800
   42    44    45    80.00000  120.81000
   42    44    46    65.00000  118.65900
   44    42    43    85.00000  116.28000
   44    46    47    40.00000  117.72500
   44    46    48    65.00000  118.96000
   46    44    45    80.00000  123.72100
   46    48    49    70.00000  124.03900
   48    33    37    70.00000  110.12100
   48    46    47    35.00000  120.00000
   48    49    50    50.00000  121.00000
   48    49    52    75.00000  118.45600
   49    50    51    35.00000  109.50000
   49    50    39    80.00000  111.61500
   49    50    54    63.00000  110.10000
   49    52    53    50.00000  112.30800
   49    52    57    70.00000  124.03900
   50    39    40    37.50000  110.70000
   50    39    41    37.50000  110.70000
   50    54    55    70.00000  117.00000
   50    54    56    70.00000  117.00000
   39    33    37    70.00000  112.02700
   39    33    48    70.00000  112.02700
   39    50    51    37.50000  110.70000
   41    39    40    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    39    63.00000  111.10000
   56    54    55    80.00000  126.00000
   52    49    50    50.00000  121.00000
   52    57    58    35.00000  120.00000
   52    57    59    70.00000  123.01800
   57    52    53    35.00000  120.00000
   57    59    60    70.00000  123.01800
   57    59    70    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    62    70.00000  123.01800
   59    70    68    70.00000  112.02700
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   60    62    63    70.00000  124.03900
   60    62    65    70.00000  117.34000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  114.50000
   62    63    68    50.00000  121.00000
   62    65    66    65.00000  137.10300
   62    65    67    65.00000  137.10300
   63    68    69    35.00000  109.50000
   63    68    70    80.00000  111.61500
   63    68    73    63.00000  110.10000
   68    63    64    35.00000  112.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    73    74    70.00000  117.00000
   68    73    75    70.00000  117.00000
   70    59    60    70.00000  124.00000
   70    68    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    63.00000  111.10000
   75    73    74    80.00000  126.00000
   65    62    63    70.00000  124.03900
   67    65    66    65.00000  121.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.42700  1.0 1.0
   29    33    48    46  -0.70350 -1.0 2.0
   29    33    48    46  -0.43150  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48   -49    50   1.00000 -1.0 2.0
   33    48    49    52   1.00000 -1.0 2.0
   37    33    48    46  -0.28300  1.0 1.0
   37    33    48    46   0.26700 -1.0 2.0
   37    33    48    46  -0.63300  1.0 3.0
   37    33    48    49  -1.35150  1.0 1.0
   37    33    48    49   0.13900 -1.0 2.0
   37    33    48    49   0.25250  1.0 3.0
   37    33    39    50   0.34400  1.0 1.0
   37    33    39    50   0.09450 -1.0 2.0
   37    33    39    50   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   1.00000 -1.0 2.0
   37    42   -44    46  -1.18350  1.0 1.0
   37    42   -44    46   1.45950 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.93700 -1.0 2.0
   42    44    46    48  -1.18350  1.0 1.0
   42    44    46    48   1.45950 -1.0 2.0
   43    42    44    45  -0.11900  1.0 1.0
   43    42    44    45   0.76850 -1.0 2.0
   43    42    44    45   0.14100  1.0 3.0
   43    42    44    46   1.50000 -1.0 2.0
   44    46   -48    33   7.00000 -1.0 2.0
   44    46    48    49   7.00000 -1.0 2.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   1.00000 -1.0 2.0
   46    48    49    50  -0.54700  1.0 1.0
   46    48    49    50   1.23000 -1.0 2.0
   46    48    49    52  -0.54500  1.0 1.0
   46    48    49    52   1.14150 -1.0 2.0
   47    46    48    33   7.00000 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42  -0.28300  1.0 1.0
   48    33   -37    42   0.26700 -1.0 2.0
   48    33   -37    42  -0.63300  1.0 3.0
   48    33   -39    50   0.34400  1.0 1.0
   48    33   -39    50   0.09450 -1.0 2.0
   48    33   -39    50   0.11100  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    49    50    51   0.00000  1.0 1.0
   48    49   -50    39   0.25450  1.0 1.0
   48    49   -50    39  -0.61700 -1.0 2.0
   48    49   -50    39  -0.23550  1.0 3.0
   48    49    50    54  -0.12500  1.0 1.0
   48    49    50    54  -0.12500 -1.0 2.0
   48    49    50    54   0.25000  1.0 3.0
   48    49    52    53   0.00000  1.0 1.0
   48    49    52    57  -0.54500  1.0 1.0
   48    49    52    57   1.14150 -1.0 2.0
   49    50   -39    33   1.26750  1.0 1.0
   49    50   -39    33  -0.00950 -1.0 2.0
   49    50   -39    33   0.30600  1.0 3.0
   49    50    39    40   0.22950  1.0 3.0
   49    50    39    41   0.22950  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    57  -0.54700  1.0 1.0
   50    49    52    57   1.23000 -1.0 2.0
   51    50    39    33   0.15000  1.0 3.0
   51    50    39    40   0.15000  1.0 3.0
   51    50    39    41   0.15000  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.09850  1.0 1.0
   39    33    48    46   0.15250 -1.0 2.0
   39    33    48    46  -0.50650  1.0 3.0
   39    33   -48    49  -0.93550  1.0 1.0
   39    33   -48    49   0.38900 -1.0 2.0
   39    33   -48    49   0.16950  1.0 3.0
   39    50    54    55   0.00000  1.0 1.0
   39    50    54    56   0.00000  1.0 1.0
   54    50    39    33  -0.84850  1.0 1.0
   54    50    39    33  -0.22800 -1.0 2.0
   54    50    39    33   0.29250  1.0 3.0
   54    50    39    40  -0.03800  1.0 3.0
   54    50    39    41  -0.03800  1.0 3.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    39   0.25450  1.0 1.0
   52    49    50    39  -0.61700 -1.0 2.0
   52    49    50    39  -0.23550  1.0 3.0
   52    49    50    54  -0.12500  1.0 1.0
   52    49    50    54  -0.12500 -1.0 2.0
   52    49    50    54   0.25000  1.0 3.0
   52    57    59    60   0.28850  1.0 1.0
   52    57    59    60   2.61350 -1.0 2.0
   52    57    59    60   0.78400  1.0 3.0
   52    57    59    70  -0.18600  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    59   7.00000 -1.0 2.0
   57    59    60    61   7.00000 -1.0 2.0
   57    59    60    62   7.00000 -1.0 2.0
   57    59    70    68   0.98200  1.0 1.0
   57    59    70    68  -0.11900 -1.0 2.0
   57    59    70    68   0.24250  1.0 3.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   58    57    59    60  -0.18600  1.0 3.0
   58    57    59    70   0.00000  1.0 1.0
   59    60    62    63  -0.18600  1.0 3.0
   59    60    62    65   0.28850  1.0 1.0
   59    60    62    65   2.61350 -1.0 2.0
   59    60    62    65   0.78400  1.0 3.0
   60    59    70    68   0.09850  1.0 1.0
   60    59    70    68   0.15250 -1.0 2.0
   60    59    70    68  -0.50650  1.0 3.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    72   0.00000  1.0 1.0
   60    62    63    64   1.00000 -1.0 2.0
   60    62   -63    68  -0.54700  1.0 1.0
   60    62   -63    68   1.23000 -1.0 2.0
   60    62    65    66   7.00000 -1.0 2.0
   60    62    65    67   7.00000 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    65  -0.18600  1.0 3.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.25450  1.0 1.0
   62    63    68    70  -0.61700 -1.0 2.0
   62    63    68    70  -0.23550  1.0 3.0
   62    63    68    73  -0.12500  1.0 1.0
   62    63    68    73  -0.12500 -1.0 2.0
   62    63    68    73   0.25000  1.0 3.0
   63    62    65    66   7.00000 -1.0 2.0
   63    62    65    67   7.00000 -1.0 2.0
   63    68   -70    59   0.21700  1.0 1.0
   63    68   -70    59   0.68550 -1.0 2.0
   63    68   -70    59  -0.27950  1.0 3.0
   63    68    70    71   0.22950  1.0 3.0
   63    68    70    72   0.22950  1.0 3.0
   63    68    73    74   0.00000  1.0 1.0
   63    68    73    75   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    73   0.00000  1.0 1.0
   69    68    70    59   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    75   0.00000  1.0 1.0
   70    59    60    61   7.00000 -1.0 2.0
   70    59   -60    62   7.00000 -1.0 2.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    75   0.00000  1.0 1.0
   73    68    70    59  -0.98800  1.0 1.0
   73    68    70    59   0.48800 -1.0 2.0
   73    68    70    59   0.76800  1.0 3.0
   73    68    70    71  -0.03800  1.0 3.0
   73    68    70    72  -0.03800  1.0 3.0
   65    62    63    64   1.00000 -1.0 2.0
   65    62    63    68  -0.54700  1.0 1.0
   65    62    63    68   1.23000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   33    49    48    46   1.10000 -1.0 2.0
   50    48    49    52   1.00000 -1.0 2.0
   55    50    54    56  10.50000 -1.0 2.0
   49    53    52    57  15.00000 -1.0 2.0
   59    58    57    52  15.00000 -1.0 2.0
   57    70    59    60   1.10000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   60    63    62    65   1.10000 -1.0 2.0
   64    62    63    68   1.00000 -1.0 2.0
   74    68    73    75  10.50000 -1.0 2.0
   66    67    65    62   1.10000 -1.0 2.0
END
