* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    123    188     359
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033   101.57383   -44.84402
    3     1 S   H    _H1_     3     1.02052    75.13799    61.64164
    4     1 S   H    _H2_     4     1.02074    39.26656  -150.26130
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08583   110.55165    58.73304
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.84458    97.42128  -178.16293
   34    33 S   HC   _H3_    37     1.09720   108.46601  -178.23564
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C13    38     1.50941   109.67941   -60.01664
   39    38 S   CA   _C8_    39     1.39831   121.15559   103.55413
   40    39 S   CA   _C9_    40     1.40021   120.70158  -177.47757
   41    39 S   CO4  _C7_    60     1.47602   119.83473     3.82254
   42    41 S   O    _O33    61     1.22613   122.62186  -168.75411
   43    40 S   CA   _C10    41     1.39475   119.89107    -0.71737
   44    40 S   CO4  _C18    57     1.46097   123.40182  -179.17433
   45    44 S   O    _O35    58     1.23045   122.81178  -120.04326
   46    44 S   HC   _H16    59     1.10827   117.11499    59.93015
   47    41 S   CM   _C6_    62     1.48792   118.36719    12.05239
   48    43 S   CA   _C11    42     1.39203   120.01865    -0.00000
   49    48 S   HA   _H7_    43     1.08740   119.76382  -179.67857
   50    43 S   OH   _O34    55     1.36402   121.27905  -179.70129
   51    50 S   HO   _H15    56     0.96974   110.13406    -0.32082
   52    33 S   CM   _C5_    63     1.51898   108.12506    65.14942
   53    47 S   OH   _O36    68     1.37991   117.52085   166.63546
   54    53 S   HO   _H17    69     0.96291   109.82058     0.00000
   55    38 S   CA   _C12    44     1.40504   120.20782   -74.95502
   56    52 S   CT   _C4_    64     1.51043   116.07550    76.70315
   57    56 S   HC   _H4_    65     1.08464   108.91143   -91.55635
   58    56 S   HC   _H5_    66     1.08436   108.98613   148.33236
   59    56 S   HC   _H6_    67     1.08393   109.00104    28.64009
   60    55 S   CT   _C15    45     1.49662   121.83060    -2.49073
   61    60 S   HC   _H8_    46     1.10484   109.53264     0.29541
   62    60 S   CT   _C16    47     1.53804   112.33510  -117.38022
   63    62 S   HC   _H9_    48     1.09509   111.67044   -60.26491
   64    62 S   HC   _H10    49     1.09541   111.32665   179.34389
   65    62 S   HC   _H11    50     1.09605   110.53037    59.59071
   66    60 S   CT   _C17    51     1.53817   112.28328   117.96515
   67    66 S   HC   _H12    52     1.09577   110.50540    60.35092
   68    66 S   HC   _H13    53     1.09551   111.27708   -59.43142
   69    66 S   HC   _H14    54     1.09550   111.65309  -179.73239
  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   8   5   4   3
  15   6   2   1   1  16  14  12   9   3   9   4   1   1   7   8
   3   2   1   7   2   1  10   3   2   1   1   9   8   7   3   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    55    47    52    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    48    55    60    41    47    52    56    57    58    59    53  
   38    39    55    47    52    56  
   36    37  
   37  
    0  
   39    40    43    48    49    55    60    61    62    66    44    41    42    47    52    56  
   40    43    48    55    60    50    44    45    46    41    42    47    52    53  
   43    48    49    55    50    51    44    45    46    41    42    47  
   42    47    52    56    53    54    43    44    55  
   47    52    53  
   48    49    55    60    50    51    44    45    46  
   45    46    48    50  
   46  
    0  
   52    56    57    58    59    53    54  
   49    55    60    61    62    66    50    51  
   55    60    50  
   51    55  
    0  
   56    57    58    59    53    54    55  
   54    56  
    0  
   60    61    62    63    64    65    66    67    68    69  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   317.000  1.510
   38    39   469.000  1.400
   38    55   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   310.000  1.470
   43    48   469.000  1.400
   43    50   450.000  1.364
   48    49   367.000  1.080
   48    55   469.000  1.400
   55    60   317.000  1.510
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   50    51   553.000  0.945
   44    45   570.000  1.229
   44    46   340.000  1.090
   41    42   570.000  1.229
   41    47   320.000  1.462
   47    52   549.000  1.340
   47    53   510.000  1.338
   52    56   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    52    75.00000  112.20000
   33    38    39    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    52    47    70.00000  124.00000
   33    52    56    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    55    48    63.00000  120.00000
   38    55    60    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    60.00000  119.52600
   39    41    42    75.00000  123.78400
   39    41    47    65.00000  117.02400
   40    43    48    63.00000  120.00000
   40    43    50    70.00000  120.00000
   40    44    45    75.00000  123.78400
   40    44    46    35.00000  115.00000
   43    48    49    35.00000  120.00000
   43    48    55    63.00000  120.00000
   43    50    51    35.00000  113.00000
   48    55    60    70.00000  120.00000
   55    38    39    63.00000  120.00000
   55    48    49    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    70.00000  112.17500
   55    60    66    70.00000  112.17500
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    65    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   62    60    61    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   50    43    48    70.00000  120.00000
   44    40    43    60.00000  119.52600
   46    44    45    35.00000  123.00000
   41    39    40    60.00000  119.52600
   41    47    52    65.00000  118.96000
   41    47    53    85.00000  116.28000
   47    41    42    80.00000  123.72100
   47    52    56    70.00000  124.00000
   47    53    54    70.00000  107.45700
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  112.99600
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   53    47    52    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    52    47   0.42700  1.0 1.0
   29    33    52    47  -0.70350 -1.0 2.0
   29    33    52    47  -0.43150  1.0 3.0
   29    33    52    56   0.30250  1.0 1.0
   29    33    52    56  -0.14950 -1.0 2.0
   29    33    52    56   0.36900  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    55    48   3.62500 -1.0 2.0
   33    38    55    60   3.62500 -1.0 2.0
   33    52    56    57   0.34800  1.0 3.0
   33    52    56    58   0.34800  1.0 3.0
   33    52    56    59   0.34800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    52    47   0.00000  1.0 1.0
   34    33    52    56   0.34800  1.0 3.0
   38    33    52    47   1.44450  1.0 1.0
   38    33    52    47   0.06600 -1.0 2.0
   38    33    52    47   0.29250  1.0 3.0
   38    33    52    56   0.09700  1.0 1.0
   38    33    52    56   0.15600 -1.0 2.0
   38    33    52    56  -0.50800  1.0 3.0
   38    39    40    43   3.62500 -1.0 2.0
   38    39    40    44   3.62500 -1.0 2.0
   38    39    41    42   1.05000 -1.0 2.0
   38    39   -41    47  -0.11500  1.0 1.0
   38    39   -41    47   1.10450 -1.0 2.0
   38    39   -41    47  -0.48050  1.0 3.0
   38    55    60    61   0.00000  1.0 1.0
   38    55    60    62   0.04150 -1.0 2.0
   38    55    60    66   0.04150 -1.0 2.0
   39    38    55    48   3.62500 -1.0 2.0
   39    38    55    60   3.62500 -1.0 2.0
   39    40   -43    48   3.62500 -1.0 2.0
   39    40    43    50   3.62500 -1.0 2.0
   39    40    44    45   1.05000 -1.0 2.0
   39    40    44    46   0.56600 -1.0 2.0
   39    41    47    52  -1.65800  1.0 1.0
   39    41    47    52   0.77650 -1.0 2.0
   39    41    47    53   1.50000 -1.0 2.0
   40    39    41    42   1.05000 -1.0 2.0
   40    39    41    47  -0.11500  1.0 1.0
   40    39    41    47   1.10450 -1.0 2.0
   40    39    41    47  -0.48050  1.0 3.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    55   3.62500 -1.0 2.0
   40    43    50    51   0.84100 -1.0 2.0
   43    40    44    45   1.05000 -1.0 2.0
   43    40    44    46   0.56600 -1.0 2.0
   43    48   -55    38   3.62500 -1.0 2.0
   43    48    55    60   3.62500 -1.0 2.0
   48    43    50    51   0.84100 -1.0 2.0
   48    55    60    61   0.00000  1.0 1.0
   48    55    60    62   0.04150 -1.0 2.0
   48    55    60    66   0.04150 -1.0 2.0
   49    48    55    38   3.62500 -1.0 2.0
   49    48    55    60   3.62500 -1.0 2.0
   55    38   -39    40   3.62500 -1.0 2.0
   55    38    39    41   3.62500 -1.0 2.0
   55    60    62    63   0.43200  1.0 3.0
   55    60    62    64   0.43200  1.0 3.0
   55    60    62    65   0.43200  1.0 3.0
   55    60    66    67   0.43200  1.0 3.0
   55    60    66    68   0.43200  1.0 3.0
   55    60    66    69   0.43200  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69   0.15000  1.0 3.0
   66    60    62    63   0.15000  1.0 3.0
   66    60    62    64   0.15000  1.0 3.0
   66    60    62    65   0.15000  1.0 3.0
   50    43    48    49   3.62500 -1.0 2.0
   50    43    48    55   3.62500 -1.0 2.0
   44    40    43    48   3.62500 -1.0 2.0
   44    40    43    50   3.62500 -1.0 2.0
   41    39    40    43   3.62500 -1.0 2.0
   41    39    40    44   3.62500 -1.0 2.0
   41    47   -52    33   7.00000 -1.0 2.0
   41    47    52    56   7.00000 -1.0 2.0
   41    47    53    54   2.00000 -1.0 2.0
   42    41    47    52   1.00000 -1.0 2.0
   42    41    47    53  -0.11900  1.0 1.0
   42    41    47    53   0.76850 -1.0 2.0
   42    41    47    53   0.14100  1.0 3.0
   47    52    56    57   0.00000  1.0 1.0
   47    52    56    58   0.00000  1.0 1.0
   47    52    56    59   0.00000  1.0 1.0
   52    33   -38    39   0.18050 -1.0 2.0
   52    33    38    55   0.18050 -1.0 2.0
   52    47    53    54  -0.66100  1.0 1.0
   52    47    53    54   1.20850 -1.0 2.0
   52    47    53    54  -0.36000  1.0 3.0
   53    47    52    33   7.00000 -1.0 2.0
   53    47    52    56   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    55    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   48    50    43    40   4.00000 -1.0 2.0
   55    49    48    43   1.10000 -1.0 2.0
   48    60    55    38   4.00000 -1.0 2.0
   40    46    44    45  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   41    53    47    52   1.10000 -1.0 2.0
   33    56    52    47   1.10000 -1.0 2.0
END
