* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    134    200     386
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    89.79718   -69.45681
    3     1 S   H    _H1_     3     1.02030    90.74270    39.25373
    4     1 S   H    _H2_     4     1.02128    32.87285   164.03899
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.84331    97.47714  -158.11959
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.53661   108.23122  -160.00245
   38    33 S   CT   _C17    72     1.53843   107.20400    75.58470
   39    38 S   HC   _H35    73     1.08477   109.25471   -59.73740
   40    38 S   HC   _H36    74     1.08461   109.24695  -179.73980
   41    38 S   HC   _H37    75     1.08484   109.23718    60.23150
   42    37 S   CT   _C14    38     1.54008   118.41909    86.49305
   43    42 S   HC   _H31    39     1.09845   108.54659   151.14650
   44    37 S   CMA  _C13    65     1.34719   123.20692   -97.96512
   45    44 S   OM   _O19    66     1.27010   124.29715  -175.56315
   46    42 S   CA   _C8_    40     1.50047   110.47081   -91.84330
   47    42 S   CM   _C10    54     1.50457   111.10710    31.93884
   48    44 S   OS   _O22    67     1.42131   109.92603     4.57885
   49    46 S   CA   _C6_    41     1.39423   119.09548    62.07454
   50    49 S   HA   _H29    42     1.08707   120.61098    -0.24549
   51    47 S   CM   _C11    55     1.34257   125.42377   -15.32886
   52    47 S   NO2  _N18    62     1.42532   115.13830   161.46140
   53    52 S   ON   _O20    63     1.23743   117.13821    93.03171
   54    52 S   ON   _O21    64     1.23775   117.11455   -86.97136
   55    48 S   CT   _C18    68     1.42677   116.02530  -179.97202
   56    55 S   HC   _H38    69     1.09302   109.50731   180.00000
   57    55 S   HC   _H39    70     1.09245   109.55873    59.14085
   58    55 S   HC   _H40    71     1.09318   108.94511   -60.47804
   59    49 S   CA   _C4_    43     1.39442   119.99520   180.00000
   60    59 S   HA   _H27    44     1.08688   120.02238   179.90309
   61    33 S   NE   _N17    56     1.46105   108.49211   -39.84159
   62    61 S   H    _H41    57     1.01632   117.16286    72.06366
   63    51 S   CT   _C16    58     1.50744   126.57675  -179.42836
   64    63 S   HC   _H32    59     1.08506   109.14290    90.00370
   65    63 S   HC   _H33    60     1.08548   109.18250   -30.14345
   66    63 S   HC   _H34    61     1.08530   109.15313  -149.82941
   67    59 S   CA   _C5_    45     1.39500   120.04455    -0.08156
   68    67 S   HA   _H28    46     1.08577   120.03065  -179.96044
   69    67 S   CA   _C7_    47     1.39472   119.93905     0.02798
   70    69 S   HA   _H30    48     1.08721   119.46139  -179.94766
   71    46 S   CA   _C9_    49     1.39451   120.89857  -118.06308
   72    71 S   CT   _C19    50     1.49423   120.98727     0.11703
   73    72 S   F    _F23    51     1.36548   113.56879   179.94405
   74    72 S   F    _F24    52     1.36514   113.51695   -59.93981
   75    72 S   F    _F25    53     1.36396   112.51088    59.96647
  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  18   8   3   2   1  18   7   9   2  15  12   4
   8   4   9   4   1   1   3   2   1   1   6   3   5   1   3   2
   1   1   5   3   6   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    61    62    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    61    62    63    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    71    47    51    61    62    52    44    45    48    55    38    39    40    41  
   39    40    41    42    44    51    61    62  
   40    41    61  
   41    61  
   61  
   43    46    49    50    59    69    71    72    47    51    61    63    52    53    54    44    45    48  
   46    49    71    47    51    52    44  
   45    48    55    56    57    58    46    47    61  
   48    55  
   49    50    59    60    67    69    70    71    72    73    74    75    47    51    52  
   51    61    62    63    64    65    66    52    53    54    49    71  
   55    56    57    58  
   50    59    60    67    68    69    71    72  
   59    60    67    71  
   61    62    63    64    65    66    52    53    54  
   53    54    61    63  
   54  
    0  
   56    57    58  
   57    58  
   58  
    0  
   60    67    68    69    70    71  
   67    68    69  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75  
   73    74    75  
   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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   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   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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    61   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    71   469.000  1.400
   49    50   367.000  1.080
   49    59   469.000  1.400
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   317.000  1.510
   72    73   367.000  1.332
   72    74   367.000  1.332
   72    75   367.000  1.332
   47    51   549.000  1.340
   47    52   325.000  1.425
   51    61   425.000  1.378
   51    63   317.000  1.510
   61    62   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   52    53   550.000  1.225
   52    54   550.000  1.225
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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    61    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    61    51    50.00000  121.00000
   33    61    62    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    71    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    70.00000  113.98000
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    59    63.00000  120.00000
   46    71    69    63.00000  120.00000
   46    71    72    70.00000  120.00000
   49    59    60    35.00000  120.00000
   49    59    67    63.00000  120.00000
   59    49    50    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    69    63.00000  120.00000
   67    59    60    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  120.00000
   71    46    49    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    50.00000  109.50000
   71    72    74    50.00000  109.50000
   71    72    75    50.00000  109.50000
   74    72    73    77.00000  109.10000
   75    72    73    77.00000  109.10000
   75    72    74    77.00000  109.10000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    61    70.00000  124.03900
   47    51    63    70.00000  124.00000
   47    52    53    90.00000  119.02900
   47    52    54    90.00000  119.02900
   51    61    62    35.00000  114.50000
   51    63    64    35.00000  109.50000
   51    63    65    35.00000  109.50000
   51    63    66    35.00000  109.50000
   61    33    37    80.00000  112.42400
   63    51    61    75.00000  116.24600
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   52    47    51    70.00000  118.30600
   54    52    53    80.00000  125.30000
   44    37    42    70.00000  124.00000
   44    48    55    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    61    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    61    51  -0.12500  1.0 1.0
   29    33    61    51  -0.12500 -1.0 2.0
   29    33    61    51   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    61    51  -0.12500  1.0 1.0
   37    33    61    51  -0.12500 -1.0 2.0
   37    33    61    51   0.25000  1.0 3.0
   37    33    61    62  -0.12500  1.0 1.0
   37    33    61    62  -0.12500 -1.0 2.0
   37    33    61    62   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    71   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    55  -2.26850  1.0 1.0
   37    44    48    55   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    59   3.62500 -1.0 2.0
   42    46    71    69   3.62500 -1.0 2.0
   42    46    71    72   3.62500 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    51    63   7.00000 -1.0 2.0
   42    47    52    53   0.01550  1.0 1.0
   42    47    52    53   0.69950 -1.0 2.0
   42    47    52    53   0.02600  1.0 3.0
   42    47    52    54   0.01550  1.0 1.0
   42    47    52    54   0.69950 -1.0 2.0
   42    47    52    54   0.02600  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    71   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.00000  1.0 1.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    59    60   3.62500 -1.0 2.0
   46    49    59    67   3.62500 -1.0 2.0
   46    71    72    73   0.00000  1.0 1.0
   46    71    72    74   0.00000  1.0 1.0
   46    71    72    75   0.00000  1.0 1.0
   49    46    71    69   3.62500 -1.0 2.0
   49    46    71    72   3.62500 -1.0 2.0
   49    59    67    68   3.62500 -1.0 2.0
   49    59   -67    69   3.62500 -1.0 2.0
   50    49    59    60   3.62500 -1.0 2.0
   50    49    59    67   3.62500 -1.0 2.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    71   3.62500 -1.0 2.0
   60    59    67    68   3.62500 -1.0 2.0
   60    59    67    69   3.62500 -1.0 2.0
   67    69   -71    46   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75   0.00000  1.0 1.0
   70    69    71    46   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    46    49    50   3.62500 -1.0 2.0
   71    46   -49    59   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    71   0.18050 -1.0 2.0
   47    51   -61    33  -0.54700  1.0 1.0
   47    51   -61    33   1.23000 -1.0 2.0
   47    51    61    62   1.00000 -1.0 2.0
   47    51    63    64   0.00000  1.0 1.0
   47    51    63    65   0.00000  1.0 1.0
   47    51    63    66   0.00000  1.0 1.0
   51    47    52    53   0.65450 -1.0 2.0
   51    47    52    54   0.65450 -1.0 2.0
   61    33   -37    42   0.09700  1.0 1.0
   61    33   -37    42   0.15600 -1.0 2.0
   61    33   -37    42  -0.50800  1.0 3.0
   61    33    37    44   0.62150  1.0 1.0
   61    33    37    44   0.42850 -1.0 2.0
   61    33    37    44  -0.68200  1.0 3.0
   61    33    38    39   0.22950  1.0 3.0
   61    33    38    40   0.22950  1.0 3.0
   61    33    38    41   0.22950  1.0 3.0
   61    51    63    64  -0.18050  1.0 3.0
   61    51    63    65  -0.18050  1.0 3.0
   61    51    63    66  -0.18050  1.0 3.0
   63    51    61    33   1.00000 -1.0 2.0
   63    51    61    62   2.40850 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   52    47    51    63   7.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    55    56   0.08050  1.0 3.0
   44    48    55    57   0.08050  1.0 3.0
   44    48    55    58   0.08050  1.0 3.0
   45    44    48    55   2.00000 -1.0 2.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    61    51   0.25450  1.0 1.0
   38    33    61    51  -0.61700 -1.0 2.0
   38    33    61    51  -0.23550  1.0 3.0
   38    33    61    62   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    71    46    42   4.00000 -1.0 2.0
   59    50    49    46   1.10000 -1.0 2.0
   67    60    59    49   1.10000 -1.0 2.0
   69    68    67    59   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   69    72    71    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   63    61    51    47   1.10000 -1.0 2.0
   62    51    61    33   1.00000 -1.0 2.0
   54    47    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
