* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    124    188     359
    1     0 S   NP   _N1_     1    28.15816    97.60813   -21.73167
    2     1 S   H    _HN1     2     1.02776   101.54571  -114.48912
    3     1 S   H    _H1_     3     1.02957    70.89473    -8.87378
    4     1 S   H    _H2_     4     1.02835    41.10626   141.44968
    5     1 S   CT   _CA1     5     1.50140   142.88956    89.92578
    6     5 S   HC   _HA1     6     1.09574   105.20835    92.58398
    7     5 S   CO3  _C1_     7     1.53783   112.36391   -27.60409
    8     7 S   O2Z  _O11     8     1.26369   114.98959   -43.45837
    9     7 S   O2Z  _O12     9     1.26235   114.93417   135.61156
   10     5 S   CT   _CB1    10     1.53095   107.41933  -149.49055
   11    10 S   HC   HB11    11     1.09827   109.33748   -50.24955
   12    10 S   HC   HB12    12     1.09816   110.42254    66.30822
   13    10 S   CT   _CG1    13     1.53024   112.68398  -171.30683
   14    13 S   HC   HG11    14     1.09592   110.51345   -64.60540
   15    13 S   HC   HG12    15     1.09658   109.90284    54.60259
   16    13 S   C    _CD1    16     1.51845   112.29422   174.98401
   17    16 S   O    _OE1    17     1.22754   123.28085     1.44239
   18    16 S   N    _N2_    18     1.38544   111.73245  -178.64477
   19    18 S   H    _HN2    19     1.01571   119.04636     4.38338
   20    18 S   CT1  _CA2    20     1.45864   122.88925   177.81099
   21    20 S   HC   _HA2    21     1.09721   108.95000    23.91246
   22    20 S   C    _C2_    22     1.52889   106.86427   -93.23738
   23    22 S   O    _O2_    23     1.22991   122.97135   -29.16036
   24    20 S   CT   _CB2    32     1.53226   112.14027   147.10380
   25    24 S   HC   HB21    33     1.09444   109.64396    54.19682
   26    24 S   HC   HB22    34     1.09447   109.82747   173.04433
   27    22 S   N    _N3_    24     1.38483   112.61723   153.44614
   28    27 S   H    _HN3    25     1.01651   120.38354    -1.13952
   29    24 S   S    _SG2    35     1.82990   110.67958   -66.87754
   30    27 S   CT   _CA3    26     1.45354   122.45114   178.65914
   31    30 S   HC   HA31    27     1.09566   107.54200   -62.19763
   32    30 S   HC   HA32    28     1.09572   107.86341    54.12043
   33    29 S   CT   _C15    36     1.86695   101.34885   173.56511
   34    30 S   CO3  _C3_    29     1.52895   114.38292   176.13178
   35    34 S   O2Z  _O31    30     1.26331   116.09334     0.56993
   36    34 S   O2Z  _O32    31     1.26453   114.39958  -179.36696
   37    33 S   CO4  _C11    37     1.52573   105.87478   -67.61918
   38    37 S   O    _O18    38     1.23131   122.27581   -61.57323
   39    33 S   CM   _C12    51     1.52621   110.54173    57.90220
   40    33 S   CT   _C18    66     1.54322   107.30441   179.68286
   41    40 S   HC   _H31    67     1.09531   112.98213   -58.62544
   42    40 S   HC   _H32    68     1.09727   110.52845  -179.28263
   43    40 S   HC   _H33    69     1.09733   112.25934    62.05162
   44    37 S   CA   _C9_    39     1.47085   118.75555   117.51817
   45    39 S   CT   _C19    52     1.54569   115.36190    63.59126
   46    45 S   HC   _H34    53     1.09454   109.03658  -130.41214
   47    45 S   HC   _H35    54     1.09548   110.87714   -16.73909
   48    44 S   CA   _C7_    40     1.40846   117.83424  -177.00363
   49    48 S   HA   _H23    41     1.08747   121.09842    -0.67695
   50    45 S   CM   _C13    55     1.50911   112.91533   103.45090
   51    50 S   HC   _H24    56     1.08884   114.43468   -56.31107
   52    48 S   CA   _C5_    42     1.39016   120.61943   179.08571
   53    52 S   HA   _H21    43     1.08561   120.29885  -179.94065
   54    50 S   CM   _C14    57     1.34743   128.21889   124.32045
   55    52 S   CA   _C4_    44     1.38535   119.33498    -0.05234
   56    55 S   HA   _H20    45     1.08609   120.23693  -179.93147
   57    54 S   CT   _C16    58     1.50621   120.29925  -179.83929
   58    57 S   HC   _H25    59     1.09501   110.22247   120.22716
   59    57 S   HC   _H26    60     1.09512   112.47080     0.15323
   60    57 S   HC   _H27    61     1.09497   110.24867  -119.96862
   61    54 S   CT   _C17    62     1.50261   125.55977    -0.04846
   62    61 S   HC   _H28    63     1.09532   109.98512   122.54582
   63    61 S   HC   _H29    64     1.09514   110.01740  -118.30785
   64    61 S   HC   _H30    65     1.09121   113.87406     2.37389
   65    55 S   CA   _C6_    46     1.39841   119.85394     0.10468
   66    65 S   HA   _H22    47     1.08889   116.67659   179.94065
   67    44 S   CA   _C8_    48     1.39822   120.62050     2.16229
   68    67 S   CMA  _C10    49     1.51557   123.67958     1.38677
   69    68 S   OM   _O17    50     1.27009   118.55917   178.28012
  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  14   5  15   6   2   1   1  10  10   5   4   8
   4  11   3   6   3   8   5   3   7   3   2   1   3   2   1   1
   4   2   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    68    39    45    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    67    68    69    39    45    46    47    50    40    41    42    43  
   35    36  
   36  
    0  
   38    44    48    49    52    65    67    68    39    45    40    41    42    43  
   44    48    67    39    40  
   45    46    47    50    51    54    40    41    42    43    44    65    67    68    69  
   41    42    43    44    45    68  
   42    43  
   43  
    0  
   48    49    52    53    55    65    66    67    68    69  
   46    47    50    51    54    57    61    67    68    69  
   47    50    51    54    68  
   50    51    54    68  
   49    52    53    55    56    65    67    68  
   52    53    55    67  
   51    54    57    58    59    60    61    62    63    64    68  
   54    57    61  
   53    55    56    65    66    67  
   55    56    65  
   57    58    59    60    61    62    63    64  
   56    65    66    67    68  
   65    66    67  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69  
   67    68  
   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   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   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  1.522
   33    39   317.000  1.510
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    48   469.000  1.400
   44    67   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   320.000  1.460
   68    69   745.000  1.250
   68    39   465.000  1.376
   39    45   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   317.000  1.510
   54    61   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    68    70.00000  124.00000
   33    39    45    65.00000  117.92700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    48    60.00000  119.52600
   37    44    67    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    67    65    63.00000  120.00000
   44    67    68    60.00000  120.93500
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    65    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    65    66    35.00000  120.00000
   55    65    67    63.00000  120.00000
   65    55    56    35.00000  120.00000
   65    67    68    60.00000  120.93500
   67    44    48    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    85.00000  114.86500
   67    68    39    60.00000  123.20500
   68    39    45    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    68    69    65.00000  137.10300
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    50    70.00000  110.12100
   45    50    51    35.00000  117.00000
   45    50    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    54    57    70.00000  124.00000
   50    54    61    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    57    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    39    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    68   0.42700  1.0 1.0
   29    33    39    68  -0.70350 -1.0 2.0
   29    33    39    68  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    48   2.26350  1.0 1.0
   33    37    44    48   0.76750 -1.0 2.0
   33    37    44    48   0.22500  1.0 3.0
   33    37    44    67   2.26350  1.0 1.0
   33    37    44    67   0.76750 -1.0 2.0
   33    37    44    67   0.22500  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    47   0.34800  1.0 3.0
   33    39    45    50   0.09700  1.0 1.0
   33    39    45    50   0.15600 -1.0 2.0
   33    39    45    50  -0.50800  1.0 3.0
   37    33    39    68  -0.51250  1.0 1.0
   37    33    39    68  -0.88800 -1.0 2.0
   37    33    39    68   0.08850  1.0 3.0
   37    33    39    45   0.17250  1.0 1.0
   37    33    39    45  -0.04100 -1.0 2.0
   37    33    39    45  -0.33850  1.0 3.0
   37    33    40    41  -0.11250  1.0 3.0
   37    33    40    42  -0.11250  1.0 3.0
   37    33    40    43  -0.11250  1.0 3.0
   37    44    48    49   3.62500 -1.0 2.0
   37    44    48    52   3.62500 -1.0 2.0
   37    44    67    65   3.62500 -1.0 2.0
   37    44   -67    68   3.62500 -1.0 2.0
   38    37    44    48   1.05000 -1.0 2.0
   38    37    44    67   1.05000 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   44    67    68    69  -0.01750  1.0 1.0
   44    67    68    69  -0.32000 -1.0 2.0
   44    67    68    69   0.00600  1.0 3.0
   44    67    68    39   0.15800  1.0 1.0
   44    67    68    39   1.85350 -1.0 2.0
   44    67    68    39  -0.48700  1.0 3.0
   48    44    67    65   3.62500 -1.0 2.0
   48    44    67    68   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -55    65   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    65    66   3.62500 -1.0 2.0
   52    55    65    67   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   53    52    55    65   3.62500 -1.0 2.0
   55    65   -67    44   3.62500 -1.0 2.0
   55    65    67    68   3.62500 -1.0 2.0
   56    55    65    66   3.62500 -1.0 2.0
   56    55    65    67   3.62500 -1.0 2.0
   65    67    68    69  -0.01750  1.0 1.0
   65    67    68    69  -0.32000 -1.0 2.0
   65    67    68    69   0.00600  1.0 3.0
   65    67    68    39   0.15800  1.0 1.0
   65    67    68    39   1.85350 -1.0 2.0
   65    67    68    39  -0.48700  1.0 3.0
   66    65    67    44   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    44    48    49   3.62500 -1.0 2.0
   67    44   -48    52   3.62500 -1.0 2.0
   67    68   -39    33   7.00000 -1.0 2.0
   67    68    39    45   7.00000 -1.0 2.0
   68    39    45    46   0.00000  1.0 1.0
   68    39    45    47   0.00000  1.0 1.0
   68    39    45    50  -0.28300  1.0 1.0
   68    39    45    50   0.26700 -1.0 2.0
   68    39    45    50  -0.63300  1.0 3.0
   69    68    39    33   7.00000 -1.0 2.0
   69    68    39    45   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.65300  1.0 1.0
   39    33   -37    44  -0.03850 -1.0 2.0
   39    33   -37    44   0.33900  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    45    50    51   0.00000  1.0 1.0
   39    45    50    54  -0.28300  1.0 1.0
   39    45    50    54   0.26700 -1.0 2.0
   39    45    50    54  -0.63300  1.0 3.0
   45    50    54    57   7.00000 -1.0 2.0
   45    50    54    61   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    54   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    60   0.00000  1.0 1.0
   50    54    61    62   0.00000  1.0 1.0
   50    54    61    63   0.00000  1.0 1.0
   50    54    61    64   0.00000  1.0 1.0
   51    50    54    57   7.00000 -1.0 2.0
   51    50    54    61   7.00000 -1.0 2.0
   57    54    61    62   0.34800  1.0 3.0
   57    54    61    63   0.34800  1.0 3.0
   57    54    61    64   0.34800  1.0 3.0
   61    54    57    58   0.34800  1.0 3.0
   61    54    57    59   0.34800  1.0 3.0
   61    54    57    60   0.34800  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    44   0.05850 -1.0 2.0
   40    33    37    44   0.17250  1.0 3.0
   40    33    39    68   0.09850  1.0 1.0
   40    33    39    68   0.15250 -1.0 2.0
   40    33    39    68  -0.50650  1.0 3.0
   40    33    39    45   0.46850  1.0 1.0
   40    33    39    45   0.08550 -1.0 2.0
   40    33    39    45   0.09800  1.0 3.0
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    44    37    38  10.50000 -1.0 2.0
   48    67    44    37   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   65    56    55    52   1.10000 -1.0 2.0
   67    66    65    55   1.10000 -1.0 2.0
   65    68    67    44   4.00000 -1.0 2.0
   67    69    68    39   1.10000 -1.0 2.0
   33    45    39    68   1.10000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   57    61    54    50  15.00000 -1.0 2.0
END
