* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    109    167     322
    1     0 S   NP   _N1_     1    29.00642    92.97866   -20.12770
    2     1 S   H    _HN1     2     1.02972    98.54562    43.68100
    3     1 S   H    _H1_     3     1.02826    22.42736   157.82486
    4     1 S   H    _H2_     4     1.02767    91.88251   -65.21501
    5     1 S   CT   _CA1     5     1.50253   132.64237   171.62973
    6     5 S   HC   _HA1     6     1.09587   105.07583    53.80298
    7     5 S   CO3  _C1_     7     1.53760   112.59213   -65.81750
    8     7 S   O2Z  _O11     8     1.26354   114.99470   -34.85385
    9     7 S   O2Z  _O12     9     1.26245   114.96656   143.95676
   10     5 S   CT   _CB1    10     1.53063   107.22938   171.42552
   11    10 S   HC   HB11    11     1.09812   108.83777   -51.23484
   12    10 S   HC   HB12    12     1.09816   110.43862    65.02350
   13    10 S   CT   _CG1    13     1.53058   113.08843  -172.60708
   14    13 S   HC   HG11    14     1.09574   110.20387   -68.83115
   15    13 S   HC   HG12    15     1.09646   110.19084    50.37445
   16    13 S   C    _CD1    16     1.51870   112.25076   170.10940
   17    16 S   O    _OE1    17     1.22775   123.10157   -11.23969
   18    16 S   N    _N2_    18     1.38665   111.91875   170.02112
   19    18 S   H    _HN2    19     1.01594   119.10922    -1.09217
   20    18 S   CT1  _CA2    20     1.46323   123.20110   179.90309
   21    20 S   HC   _HA2    21     1.09749   109.16974   -14.80881
   22    20 S   C    _C2_    22     1.53431   108.56798  -130.35791
   23    22 S   O    _O2_    23     1.23023   122.21859  -147.98541
   24    20 S   CT   _CB2    32     1.53531   111.67981   107.14748
   25    24 S   HC   HB21    33     1.09247   109.56839    59.32464
   26    24 S   HC   HB22    34     1.09543   110.25265   176.99469
   27    22 S   N    _N3_    24     1.38511   113.38172    39.55149
   28    27 S   H    _HN3    25     1.01535   118.83002    -0.94812
   29    24 S   S    _SG2    35     1.82872   111.14454   -64.36238
   30    27 S   CT   _CA3    26     1.45445   123.56191   174.94805
   31    30 S   HC   HA31    27     1.09517   109.32836    22.40119
   32    30 S   HC   HA32    28     1.09497   107.09910   139.43483
   33    29 S   CT   _C6_    36     1.88557   102.27346   146.48897
   34    30 S   CO3  _C3_    29     1.52925   113.06162  -101.13083
   35    34 S   O2Z  _O31    30     1.26407   115.40005   -44.20318
   36    34 S   O2Z  _O32    31     1.26352   114.98096   136.70955
   37    33 S   CM   _C5_    37     1.52663   107.41975    59.90281
   38    37 S   HC   _H6_    38     1.08038   124.85278   -70.96518
   39    33 S   CT   _C7_    51     1.60561   111.80408   -66.16579
   40    39 S   OM   _O35    52     1.32464   109.86269   178.46851
   41    39 S   HC   _H3_    53     1.09712   106.90042    49.55437
   42    37 S   CM   _C4_    39     1.34227   110.32593   110.64123
   43    42 S   HC   _H5_    40     1.07831   125.80946   179.12912
   44    42 S   CM   _C15    41     1.44109   110.27537    -0.76233
   45    44 S   HC   _H8_    42     1.07865   123.76859  -179.62102
   46    33 S   CM   _C14    43     1.55147   105.36573   165.62085
   47    46 S   CZ   _C13    44     1.41934   124.24158    68.15073
   48    47 S   CZ   _C12    45     1.20168   160.41640    15.03102
   49    48 S   CM   _C11    46     1.43882   159.20446     3.98379
   50    49 S   CM   _C10    47     1.35554   117.21289     4.56192
   51    50 S   HC   _H7_    48     1.08396   121.45811  -179.81548
   52    49 S   CT   _C16    54     1.51235   120.98176  -174.67064
   53    52 S   HC   _H4_    55     1.09689   109.54065  -171.49837
   54    50 S   CZ   _C9_    49     1.43005   120.05275    -0.14671
   55    52 S   CT   _C17    56     1.53076   112.86927    67.43197
   56    55 S   HC   _H9_    57     1.09583   111.70149   -53.14710
   57    55 S   HC   _H10    58     1.09577   110.04623  -172.05233
   58    52 S   OH   _O34    61     1.42826   109.79002   -54.75938
   59    58 S   HO   _H12    62     0.97254   108.13138    64.39033
   60    54 S   CZ   _C8_    50     1.20331   160.97702     2.01441
   61    55 S   OH   _O33    59     1.42134   110.22210    68.41129
   62    61 S   HO   _H11    60     0.97249   106.98928  -177.80786
  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
  14   2   1   1  11   5   9   4   3   5   3   4   2   4   4   8
  12   7   3   9   6   1   6   4   3   2   1   1   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    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    46    47    60    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    54    60    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    60    39    40    41  
   42    43    44    46    39  
   40    41    42    44    46    47    50    54    60  
   41    46    54    60  
   46    54    60  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48  
   46    47  
   47    48    49    60  
   48    49    50    52  
   49    50    51    54    52    53    55    58  
   50    51    54    60    52    53    55    56    57    61    58    59  
   51    54    60    52    53    55    58  
   54    60    52  
   53    55    56    57    61    62    58    59    54  
   55    56    57    61    58    59  
   60  
   56    57    61    62    58    59  
   57    61    62    58  
   61    62    58  
   59    61  
    0  
    0  
   62  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   48   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   55   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    46   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   380.000  1.444
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   400.000  1.423
   47    48   985.000  1.221
   48    49   400.000  1.423
   49    50   549.000  1.340
   49    52   317.000  1.510
   50    51   340.000  1.080
   50    54   400.000  1.423
   54    60   985.000  1.221
   60    39   390.000  1.470
   39    40   570.000  1.307
   39    41   340.000  1.090
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   320.000  1.410
   61    62   553.000  0.945
   58    59   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    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    46    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    46    44    70.00000  124.00000
   33    46    47    65.00000  118.62000
   33    39    60    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  123.01800
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  123.01800
   44    42    43    35.00000  120.00000
   44    46    47    65.00000  121.28400
   46    33    37    70.00000  110.12100
   46    44    45    35.00000  120.00000
   46    47    48    30.00000  178.29000
   47    48    49    30.00000  178.29000
   48    49    50    65.00000  121.28400
   48    49    52    65.00000  118.62000
   49    50    51    35.00000  120.00000
   49    50    54    65.00000  121.28400
   49    52    53    35.00000  109.50000
   49    52    55    70.00000  112.02700
   49    52    58    90.00000  110.39200
   50    54    60    30.00000  178.29000
   54    50    51    40.00000  117.14900
   54    60    39    30.00000  179.48800
   60    39    40    90.00000  109.17800
   60    39    41    35.00000  108.50000
   39    33    37    70.00000  112.02700
   39    33    46    70.00000  112.02700
   41    39    40    45.00000  125.66300
   52    49    50    70.00000  124.00000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    61    50.00000  109.50000
   52    58    59    55.00000  108.50000
   55    52    53    37.50000  110.70000
   55    61    62    55.00000  108.50000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    55    50.00000  109.50000
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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    46    44   0.42700  1.0 1.0
   29    33    46    44  -0.70350 -1.0 2.0
   29    33    46    44  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   29    33    39    60   0.56750  1.0 1.0
   29    33    39    60  -0.07550 -1.0 2.0
   29    33    39    60   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    44   7.00000 -1.0 2.0
   33    46    47    48   0.00000  1.0 1.0
   37    33   -46    44  -0.28300  1.0 1.0
   37    33   -46    44   0.26700 -1.0 2.0
   37    33   -46    44  -0.63300  1.0 3.0
   37    33    46    47   0.09700  1.0 1.0
   37    33    46    47   0.15600 -1.0 2.0
   37    33    46    47  -0.50800  1.0 3.0
   37    33    39    60   0.56750  1.0 1.0
   37    33    39    60  -0.07550 -1.0 2.0
   37    33    39    60   0.20000  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45  -0.18600  1.0 3.0
   37    42   -44    46   0.28850  1.0 1.0
   37    42   -44    46   2.61350 -1.0 2.0
   37    42   -44    46   0.78400  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44   -46    33   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46  -0.18600  1.0 3.0
   44    46    47    48   0.00000  1.0 1.0
   45    44    46    33   7.00000 -1.0 2.0
   45    44    46    47   7.00000 -1.0 2.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    42  -0.28300  1.0 1.0
   46    33   -37    42   0.26700 -1.0 2.0
   46    33   -37    42  -0.63300  1.0 3.0
   46    33    39    60   0.56750  1.0 1.0
   46    33    39    60  -0.07550 -1.0 2.0
   46    33    39    60   0.20000  1.0 3.0
   46    33    39    40   0.61850  1.0 1.0
   46    33    39    40  -0.22750 -1.0 2.0
   46    33    39    40   0.15300  1.0 3.0
   46    33    39    41   0.15000  1.0 3.0
   46    47    48    49   0.00000  1.0 1.0
   47    48    49    50   0.00000  1.0 1.0
   47    48    49    52   0.00000  1.0 1.0
   48    49    50    51   7.00000 -1.0 2.0
   48    49    50    54   7.00000 -1.0 2.0
   48    49    52    53   0.00000  1.0 1.0
   48    49    52    55   0.09700  1.0 1.0
   48    49    52    55   0.15600 -1.0 2.0
   48    49    52    55  -0.50800  1.0 3.0
   48    49    52    58   0.09700  1.0 1.0
   48    49    52    58   0.15600 -1.0 2.0
   48    49    52    58  -0.50800  1.0 3.0
   49    50    54    60   0.00000  1.0 1.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    61   1.05650  1.0 1.0
   49    52    55    61   0.15600 -1.0 2.0
   49    52    55    61   0.53150  1.0 3.0
   49    52    58    59  -0.07800  1.0 1.0
   49    52    58    59  -0.21500 -1.0 2.0
   49    52    58    59  -0.03150  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    55   0.09850  1.0 1.0
   50    49    52    55   0.15250 -1.0 2.0
   50    49    52    55  -0.50650  1.0 3.0
   50    49    52    58   0.67800  1.0 1.0
   50    49    52    58   0.47050 -1.0 2.0
   50    49    52    58  -0.62500  1.0 3.0
   50    54    60    39   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   54    60    39    33   0.00000  1.0 1.0
   54    60    39    40   0.00000  1.0 1.0
   54    60    39    41   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    46    44   0.09850  1.0 1.0
   39    33    46    44   0.15250 -1.0 2.0
   39    33    46    44  -0.50650  1.0 3.0
   39    33    46    47   0.09700  1.0 1.0
   39    33    46    47   0.15600 -1.0 2.0
   39    33    46    47  -0.50800  1.0 3.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    54   7.00000 -1.0 2.0
   52    55    61    62  -0.11600  1.0 1.0
   52    55    61    62  -0.09450 -1.0 2.0
   52    55    61    62   0.21250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    61   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   55    52    58    59  -0.11600  1.0 1.0
   55    52    58    59  -0.09450 -1.0 2.0
   55    52    58    59   0.21250  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   57    55    61    62   0.19450  1.0 3.0
   58    52    55    56   0.23400  1.0 3.0
   58    52    55    57   0.23400  1.0 3.0
   58    52    55    61   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   33    47    46    44   1.10000 -1.0 2.0
   48    52    49    50   1.10000 -1.0 2.0
   54    51    50    49   1.10000 -1.0 2.0
END
