* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    121    186     353
    1     0 S   NP   _N1_     1    28.94852    95.56522   -20.94646
    2     1 S   H    _HN1     2     1.02951    81.09055     9.31838
    3     1 S   H    _H1_     3     1.02825    39.32267   140.69758
    4     1 S   H    _H2_     4     1.02778    89.35632   -99.37556
    5     1 S   CT   _CA1     5     1.50122   149.27161   124.55644
    6     5 S   HC   _HA1     6     1.09568   105.22609    70.16679
    7     5 S   CO3  _C1_     7     1.53851   112.30247   -50.10994
    8     7 S   O2Z  _O11     8     1.26384   114.99520   -44.13965
    9     7 S   O2Z  _O12     9     1.26232   114.97446   134.85103
   10     5 S   CT   _CB1    10     1.53078   107.39387  -171.81585
   11    10 S   HC   HB11    11     1.09825   109.57006   -48.87394
   12    10 S   HC   HB12    12     1.09816   110.36619    67.79597
   13    10 S   CT   _CG1    13     1.52942   112.52488  -169.83508
   14    13 S   HC   HG11    14     1.09593   110.44339   -61.97665
   15    13 S   HC   HG12    15     1.09650   109.96344    57.22412
   16    13 S   C    _CD1    16     1.51800   112.29841   177.80554
   17    16 S   O    _OE1    17     1.22723   123.36692     1.10641
   18    16 S   N    _N2_    18     1.38562   111.56434  -179.30508
   19    18 S   H    _HN2    19     1.01657   118.86333     1.37956
   20    18 S   CT1  _CA2    20     1.46138   123.63810  -177.00304
   21    20 S   HC   _HA2    21     1.09725   109.26426     1.70445
   22    20 S   C    _C2_    22     1.53370   109.15278  -114.28214
   23    22 S   O    _O2_    23     1.23075   122.14472  -149.21411
   24    20 S   CT   _CB2    32     1.53524   111.14767   123.24275
   25    24 S   HC   HB21    33     1.09428   109.75206    62.32659
   26    24 S   HC   HB22    34     1.09538   110.34089  -179.88131
   27    22 S   N    _N3_    24     1.38296   113.78389    38.29751
   28    27 S   H    _HN3    25     1.01609   119.54933    -3.84486
   29    24 S   S    _SG2    35     1.83290   111.05591   -61.00252
   30    27 S   CT   _CA3    26     1.45293   123.11216   176.89077
   31    30 S   HC   HA31    27     1.09554   107.53612   -63.18747
   32    30 S   HC   HA32    28     1.09559   107.92020    53.19908
   33    29 S   CT   _C15    36     1.85956   102.20186   136.89510
   34    30 S   CO3  _C3_    29     1.52935   114.18422   175.15269
   35    34 S   O2Z  _O31    30     1.26361   116.08542    -1.45817
   36    34 S   O2Z  _O32    31     1.26438   114.40355   178.60507
   37    33 S   CO4  _C11    37     1.53179   110.58967   -55.05845
   38    37 S   O    _O17    38     1.22820   123.75433   -25.95571
   39    33 S   CT   _C14    51     1.53384   107.63679    66.03848
   40    39 S   HC   _H24    52     1.09757   110.32929    67.17737
   41    39 S   HC   _H25    53     1.09672   112.49982   -53.04475
   42    33 S   CT   _C18    54     1.55958   108.34125  -174.66010
   43    42 S   HC   _H32    55     1.09482   109.87177  -171.58655
   44    42 S   HC   _H33    56     1.09928   109.60763   -57.58843
   45    37 S   CA   _C9_    39     1.48388   117.38987   157.57716
   46    42 S   CM   _C12    57     1.51087   115.38714    63.81614
   47    46 S   HC   _H23    58     1.08960   114.32648   -74.84016
   48    45 S   CA   _C7_    40     1.40096   119.09890   166.98640
   49    48 S   HA   _H22    41     1.08732   121.17206     1.34756
   50    46 S   CM   _C13    59     1.34707   128.13871   105.73059
   51    48 S   CA   _C5_    42     1.39518   120.13484  -177.81376
   52    51 S   HA   _H20    43     1.08650   119.93916   179.72876
   53    50 S   CT   _C16    60     1.50657   120.26470  -179.70658
   54    53 S   HC   _H26    61     1.09490   110.18265   120.42370
   55    53 S   HC   _H27    62     1.09488   110.23571  -119.81081
   56    53 S   HC   _H28    63     1.09509   112.46738     0.37846
   57    50 S   CT   _C17    64     1.50247   125.59304    -0.61326
   58    57 S   HC   _H29    65     1.09508   110.02492   120.44292
   59    57 S   HC   _H30    66     1.09525   110.01457  -120.32902
   60    57 S   HC   _H31    67     1.09128   113.77322    -0.02798
   61    51 S   CA   _C4_    44     1.39310   120.08274     0.04846
   62    61 S   HA   _H19    45     1.08647   119.97493   179.88465
   63    61 S   CA   _C6_    46     1.39486   120.06128    -0.29409
   64    63 S   HA   _H21    47     1.08717   118.82872  -179.47474
   65    45 S   CA   _C8_    48     1.39717   121.19007   -11.26939
   66    65 S   CO4  _C10    49     1.47861   120.84105    -3.46057
   67    66 S   O    _O16    50     1.22686   120.74224   172.35594
  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  12   5   4   3
  16   2   1   1  15   5  11   5   4   9   4   3  10  10   3   8
   4   8   6   3   7   3   2   1   3   2   1   1   5   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    66    39    40    41    42    43    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    48    65    66    67    39    40    41    42    43    44    46    47    50  
   35    36  
   36  
    0  
   38    45    48    49    51    63    65    66    39    40    41    42    43    44    46  
   45    48    65    39    42  
   40    41    42    43    44    46    45    63    65    66    67  
   41    42    65    66    67  
   42    65    66    67  
   43    44    46    47    50    53    57    45    66  
   44    46    47    50  
   46    47    50  
   48    49    51    52    61    63    64    65    66    67  
   47    50    53    54    55    56    57    58    59    60  
   50    53    57  
   49    51    52    61    62    63    65    66  
   51    52    61    65  
   53    54    55    56    57    58    59    60  
   52    61    62    63    64    65  
   61    62    63  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67  
   65    66  
   66    67  
   67  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   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   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    48   469.000  1.400
   45    65   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   310.000  1.470
   66    67   570.000  1.229
   66    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   317.000  1.510
   50    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    66    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    46    70.00000  112.02700
   37    45    48    60.00000  119.52600
   37    45    65    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    65    63    63.00000  120.00000
   45    65    66    60.00000  119.52600
   48    51    52    35.00000  120.00000
   48    51    61    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    61    62    35.00000  120.00000
   51    61    63    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    60.00000  119.52600
   65    45    48    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    75.00000  123.78400
   65    66    39    65.00000  115.47100
   66    39    40    35.00000  109.50000
   66    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    66    67    80.00000  120.40000
   41    39    40    33.00000  107.80000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    46    47    35.00000  117.00000
   42    46    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    50    53    70.00000  124.00000
   46    50    57    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    53    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    45   0.65300  1.0 1.0
   29    33    37    45  -0.03850 -1.0 2.0
   29    33    37    45   0.33900  1.0 3.0
   29    33    39    66   0.56750  1.0 1.0
   29    33    39    66  -0.07550 -1.0 2.0
   29    33    39    66   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   33    37    45    48   2.26350  1.0 1.0
   33    37    45    48   0.76750 -1.0 2.0
   33    37    45    48   0.22500  1.0 3.0
   33    37    45    65   2.26350  1.0 1.0
   33    37    45    65   0.76750 -1.0 2.0
   33    37    45    65   0.22500  1.0 3.0
   33    42    46    47   0.00000  1.0 1.0
   33    42    46    50   0.09850  1.0 1.0
   33    42    46    50   0.15250 -1.0 2.0
   33    42    46    50  -0.50650  1.0 3.0
   37    33    39    66   0.11950  1.0 1.0
   37    33    39    66   0.20300 -1.0 2.0
   37    33    39    66  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    44  -0.11250  1.0 3.0
   37    33    42    46  -0.98800  1.0 1.0
   37    33    42    46   0.48800 -1.0 2.0
   37    33    42    46   0.76800  1.0 3.0
   37    45    48    49   3.62500 -1.0 2.0
   37    45    48    51   3.62500 -1.0 2.0
   37    45    65    63   3.62500 -1.0 2.0
   37    45   -65    66   3.62500 -1.0 2.0
   38    37    45    48   1.05000 -1.0 2.0
   38    37    45    65   1.05000 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    65    66    67   1.05000 -1.0 2.0
   45    65    66    39   2.26350  1.0 1.0
   45    65    66    39   0.76750 -1.0 2.0
   45    65    66    39   0.22500  1.0 3.0
   48    45    65    63   3.62500 -1.0 2.0
   48    45    65    66   3.62500 -1.0 2.0
   48    51    61    62   3.62500 -1.0 2.0
   48    51   -61    63   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    61   3.62500 -1.0 2.0
   51    61    63    64   3.62500 -1.0 2.0
   51    61    63    65   3.62500 -1.0 2.0
   52    51    61    62   3.62500 -1.0 2.0
   52    51    61    63   3.62500 -1.0 2.0
   61    63   -65    45   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   1.05000 -1.0 2.0
   63    65    66    39   2.26350  1.0 1.0
   63    65    66    39   0.76750 -1.0 2.0
   63    65    66    39   0.22500  1.0 3.0
   64    63    65    45   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   65    45    48    49   3.62500 -1.0 2.0
   65    45   -48    51   3.62500 -1.0 2.0
   65    66   -39    33   0.05850 -1.0 2.0
   65    66   -39    33   0.17250  1.0 3.0
   65    66    39    40   0.00000  1.0 1.0
   65    66    39    41   0.00000  1.0 1.0
   67    66    39    33   0.30150 -1.0 2.0
   67    66    39    40   0.00000  1.0 1.0
   67    66    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    45   0.05850 -1.0 2.0
   39    33   -37    45   0.17250  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    46   0.34400  1.0 1.0
   39    33    42    46   0.09450 -1.0 2.0
   39    33    42    46   0.11100  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    45   0.05850 -1.0 2.0
   42    33    37    45   0.17250  1.0 3.0
   42    33    39    66  -0.95700  1.0 1.0
   42    33    39    66  -0.18200 -1.0 2.0
   42    33    39    66   0.29450  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    46    50    53   7.00000 -1.0 2.0
   42    46    50    57   7.00000 -1.0 2.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   44    42    46    47   0.33100  1.0 3.0
   44    42    46    50   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   46    50    57    58   0.00000  1.0 1.0
   46    50    57    59   0.00000  1.0 1.0
   46    50    57    60   0.00000  1.0 1.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    57   7.00000 -1.0 2.0
   53    50    57    58   0.34800  1.0 3.0
   53    50    57    59   0.34800  1.0 3.0
   53    50    57    60   0.34800  1.0 3.0
   57    50    53    54   0.34800  1.0 3.0
   57    50    53    55   0.34800  1.0 3.0
   57    50    53    56   0.34800  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    45    37    38  10.50000 -1.0 2.0
   48    65    45    37   4.00000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   61    52    51    48   1.10000 -1.0 2.0
   63    62    61    51   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   63    66    65    45   4.00000 -1.0 2.0
   65    39    66    67  10.50000 -1.0 2.0
   42    47    46    50  15.00000 -1.0 2.0
   53    57    50    46  15.00000 -1.0 2.0
END
