* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    103    159     306
    1     0 S   NP   _N1_     1    27.90818    95.70771   -23.33675
    2     1 S   H    _HN1     2     1.02957    80.78402    -5.16304
    3     1 S   H    _H1_     3     1.02835    29.96219   146.00289
    4     1 S   H    _H2_     4     1.02776   103.74930  -111.93502
    5     1 S   CT   _CA1     5     1.50144   135.41202   104.59313
    6     5 S   HC   _HA1     6     1.09575   105.19264    79.84332
    7     5 S   CO3  _C1_     7     1.53765   112.36480   -40.31545
    8     7 S   O2Z  _O11     8     1.26368   114.98231   -43.39467
    9     7 S   O2Z  _O12     9     1.26230   114.92456   135.61280
   10     5 S   CT   _CB1    10     1.53085   107.41479  -162.25741
   11    10 S   HC   HB11    11     1.09830   109.28093   -50.33466
   12    10 S   HC   HB12    12     1.09814   110.44622    66.20364
   13    10 S   CT   _CG1    13     1.53037   112.71270  -171.39196
   14    13 S   HC   HG11    14     1.09589   110.53793   -65.61578
   15    13 S   HC   HG12    15     1.09660   109.87834    53.60700
   16    13 S   C    _CD1    16     1.51849   112.24252   173.95117
   17    16 S   O    _OE1    17     1.22769   123.26657     2.93818
   18    16 S   N    _N2_    18     1.38571   111.79601  -177.01843
   19    18 S   H    _HN2    19     1.01561   119.10216     3.87646
   20    18 S   CT1  _CA2    20     1.45789   122.72701   177.37878
   21    20 S   HC   _HA2    21     1.09733   108.86452    26.50154
   22    20 S   C    _C2_    22     1.52947   107.12233   -90.61076
   23    22 S   O    _O2_    23     1.22956   122.96697   -26.83565
   24    20 S   CT   _CB2    32     1.53201   112.39367   149.82040
   25    24 S   HC   HB21    33     1.09523   110.11376    54.01453
   26    24 S   HC   HB22    34     1.09512   110.03021   172.98653
   27    22 S   N    _N3_    24     1.38642   112.35830   156.13078
   28    27 S   H    _HN3    25     1.01505   119.68941     0.67144
   29    24 S   S    _SG2    35     1.82437   111.25201   -66.96610
   30    27 S   CT   _CA3    26     1.45413   122.72261   174.70991
   31    30 S   HC   HA31    27     1.09547   108.81648    32.82314
   32    30 S   HC   HA32    28     1.09476   107.16016   149.97337
   33    29 S   CT   _C7_    36     1.84999    99.67270  -173.14720
   34    33 S   HC   _H5_    37     1.09282   106.41747    46.29779
   35    30 S   CO3  _C3_    29     1.53114   113.91659   -89.91749
   36    35 S   O2Z  _O31    30     1.26346   116.06722   -23.80536
   37    35 S   O2Z  _O32    31     1.26453   114.48196   157.01870
   38    33 S   CM   _C8_    38     1.52151   109.46042   -75.08355
   39    38 S   CT   _C4_    39     1.52049   113.73555   -73.90469
   40    39 S   HC   _H6_    40     1.09721   108.76188    71.55511
   41    39 S   HC   _H7_    41     1.09768   111.25851  -172.42705
   42    38 S   CM   _C9_    54     1.34534   126.69450   109.38977
   43    42 S   HC   _H9_    55     1.08682   120.14849   178.00806
   44    39 S   CT1  _C5_    42     1.53247   110.82803   -51.19372
   45    44 S   HC   _H3_    43     1.09874   109.39099   -66.41288
   46    42 S   CO4  _C10    56     1.47840   125.53292    -2.18928
   47    46 S   O    _O33    57     1.22622   121.35751   177.87883
   48    46 S   HC   _H10    58     1.09863   117.32996    -2.31841
   49    44 S   NT   _N4_    44     1.47393   111.97400    54.73273
   50    49 S   H    _H8_    45     1.02188   109.46821    61.20847
   51    44 S   CO3  _C12    51     1.54308   112.40563   173.69211
   52    51 S   O2Z  _O37    52     1.26388   116.24227   -37.80272
   53    51 S   O2Z  _O36    53     1.26591   114.71096   141.72104
   54    33 S   CT1  _C6_    46     1.54620   112.44321   163.39005
   55    54 S   HC   _H4_    47     1.10035   108.60049  -172.26107
   56    54 S   CO3  _C11    48     1.54793   112.10136   -56.50970
   57    56 S   O2Z  _O35    49     1.26296   117.47959   114.13242
   58    56 S   O2Z  _O34    50     1.26794   113.86643   -65.78233
  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   9   5   4   3
  16   7   2   1   1  15  13   6   5   6   3   9   6   2   1   1
   9   4   3   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    55    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    54    55    56    57    58    42    43    46  
   38    39    49    54    55    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    54    55    56    51    42    43    46    47    48  
   40    41    44    45    49    50    54    51    52    53    42    43    46  
   41    44    45    49    51    42  
   44    45    49    51    42  
   43    46    47    48    44    54  
   46    47    48  
   45    49    50    54    55    56    51    52    53  
   49    50    54    51    52    53  
   47    48  
   48  
    0  
   50    54    55    56    57    58    51    52    53  
   54    55    56    51  
   52    53    54  
   53  
    0  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    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   0.107500   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   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   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    49   305.000  1.457
   44    51   317.000  1.522
   49    50   434.000  1.010
   49    54   305.000  1.457
   54    55   340.000  1.090
   54    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
   51    52   656.000  1.250
   51    53   656.000  1.250
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    48   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    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    75.00000  112.20000
   29    33    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    49    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    56    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  118.96000
   39    44    45    37.50000  110.70000
   39    44    49    80.00000  111.22000
   39    44    51    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    49    50    50.00000  111.55300
   44    49    54    51.80000  107.20000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   49    44    45    50.00000  109.55000
   49    54    55    50.00000  109.55000
   49    54    56    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    49    50    50.00000  111.55300
   54    56    57    70.00000  117.00000
   54    56    58    70.00000  117.00000
   56    54    55    35.00000  109.50000
   58    56    57    80.00000  126.00000
   51    44    45    35.00000  109.50000
   51    44    49    75.00000  111.54000
   53    51    52    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    80.00000  123.72100
   42    46    48    40.00000  115.75000
   46    42    43    40.00000  117.72500
   48    46    47    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56  -2.17200  1.0 1.0
   29    33    54    56  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    56    57   0.00000  1.0 1.0
   33    54    56    58   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    49   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    56  -0.03800  1.0 3.0
   38    33    54    49   0.59950  1.0 1.0
   38    33    54    49  -0.21400 -1.0 2.0
   38    33    54    49   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56  -0.98800  1.0 1.0
   38    33    54    56   0.48800 -1.0 2.0
   38    33    54    56   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    49   0.59950  1.0 1.0
   38    39   -44    49  -0.21400 -1.0 2.0
   38    39   -44    49   0.56200  1.0 3.0
   38    39    44    51  -0.98800  1.0 1.0
   38    39    44    51   0.48800 -1.0 2.0
   38    39    44    51   0.76800  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    48  -0.79650  1.0 1.0
   38    42    46    48   1.60950 -1.0 2.0
   38    42    46    48  -0.26250  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    49    50  -0.15950  1.0 1.0
   39    44    49    50   0.34650 -1.0 2.0
   39    44    49    50   0.05750  1.0 3.0
   39    44    49    54   0.23450  1.0 1.0
   39    44    49    54   0.02050 -1.0 2.0
   39    44    49    54   0.25250  1.0 3.0
   39    44    51    52   0.00000  1.0 1.0
   39    44    51    53   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   40    39    44    51  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   41    39    44    51  -0.03800  1.0 3.0
   44    49   -54    33   0.23450  1.0 1.0
   44    49   -54    33   0.02050 -1.0 2.0
   44    49   -54    33   0.25250  1.0 3.0
   44    49    54    55   0.28000  1.0 3.0
   44    49    54    56  -1.76800  1.0 1.0
   44    49    54    56   1.02600 -1.0 2.0
   44    49    54    56   0.19700  1.0 3.0
   45    44    49    50   0.20000  1.0 3.0
   45    44    49    54   0.28000  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   49    44    51    52   0.30150 -1.0 2.0
   49    44    51    53   0.30150 -1.0 2.0
   49    54    56    57   0.30150 -1.0 2.0
   49    54    56    58   0.30150 -1.0 2.0
   50    49    54    33  -0.15950  1.0 1.0
   50    49    54    33   0.34650 -1.0 2.0
   50    49    54    33   0.05750  1.0 3.0
   50    49    54    55   0.20000  1.0 3.0
   50    49    54    56   0.21900  1.0 1.0
   50    49    54    56  -0.24900 -1.0 2.0
   50    49    54    56   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   51    44    49    50   0.21900  1.0 1.0
   51    44    49    50  -0.24900 -1.0 2.0
   51    44    49    50   0.15200  1.0 3.0
   51    44    49    54  -1.76800  1.0 1.0
   51    44    49    54   1.02600 -1.0 2.0
   51    44    49    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.93100 -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
   33    39    38    42   1.10000 -1.0 2.0
   57    54    56    58  10.50000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    48    46    47  10.50000 -1.0 2.0
END
