* LIGAND DATABASE FILE (OPLS2005)
*
001      57    59    110    185     327
    1     0 S   NP   _N1_     1    28.69676    95.04690   -23.49526
    2     1 S   H    _HN1     2     1.02951    79.75623    17.15874
    3     1 S   H    _H1_     3     1.02829    30.24153   171.68004
    4     1 S   H    _H2_     4     1.02784   105.46996   -89.22357
    5     1 S   CT   _CA1     5     1.50116   134.39287   125.74448
    6     5 S   HC   _HA1     6     1.09574   105.20189    81.99819
    7     5 S   CO3  _C1_     7     1.53786   112.42635   -38.23073
    8     7 S   O2Z  _O11     8     1.26370   115.00375   -43.22412
    9     7 S   O2Z  _O12     9     1.26238   114.94382   135.88689
   10     5 S   CT   _CB1    10     1.53081   107.41857  -160.04220
   11    10 S   HC   HB11    11     1.09832   109.36186   -49.95186
   12    10 S   HC   HB12    12     1.09814   110.45096    66.64654
   13    10 S   CT   _CG1    13     1.52991   112.61212  -170.94644
   14    13 S   HC   HG11    14     1.09585   110.60312   -65.40674
   15    13 S   HC   HG12    15     1.09670   109.81465    53.82366
   16    13 S   C    _CD1    16     1.51804   112.24373   174.25137
   17    16 S   O    _OE1    17     1.22730   123.29728     5.67596
   18    16 S   N    _N2_    18     1.38649   111.66671  -174.40129
   19    18 S   H    _HN2    19     1.01587   118.94577     1.66401
   20    18 S   CT1  _CA2    20     1.46178   123.36959   177.61140
   21    20 S   HC   _HA2    21     1.09738   109.39993     1.21031
   22    20 S   C    _C2_    22     1.53546   108.57376  -114.29116
   23    22 S   O    _O2_    23     1.23062   122.28462  -147.68919
   24    20 S   CT   _CB2    32     1.53438   111.66494   123.29213
   25    24 S   HC   HB21    33     1.09419   109.50013    55.76160
   26    24 S   HC   HB22    34     1.09278   109.50875   174.97933
   27    22 S   N    _N3_    24     1.38328   113.67531    39.75214
   28    27 S   H    _HN3    25     1.01594   119.58728    -3.41231
   29    24 S   S    _SG2    35     1.82380   111.38908   -64.73732
   30    27 S   CT   _CA3    26     1.45287   123.18092   177.09674
   31    30 S   HC   HA31    27     1.09550   107.51661   -64.27469
   32    30 S   HC   HA32    28     1.09557   107.97007    52.15166
   33    29 S   CT   _C11    36     1.81699   102.29544  -174.93129
   34    30 S   CO3  _C3_    29     1.52954   114.10087   174.14121
   35    34 S   O2Z  _O31    30     1.26375   116.06827    -0.77202
   36    34 S   O2Z  _O32    31     1.26431   114.41015   179.28618
   37    33 S   CM   _C6_    37     1.52341   116.46722    88.77128
   38    37 S   Cl   CL13    38     1.69532   125.11998   -26.68790
   39    37 S   CM   _C7_    39     1.33989   107.70276   154.96721
   40    39 S   Cl   CL14    40     1.69422   127.91997   177.68328
   41    39 S   CT   _C12    41     1.51682   107.80068    -0.72091
   42    41 S   Cl   CL15    42     1.75349   116.56522  -159.58034
   43    41 S   CT   _C8_    43     1.55911   108.73109    70.20272
   44    43 S   HC   _H20    44     1.09711   111.96373   176.02256
   45    33 S   CT   _C13    55     1.58242   111.77720  -159.85085
   46    45 S   Cl   CL16    56     1.81039   115.24635   -58.14030
   47    45 S   Cl   CL17    57     1.79860   114.88222    65.68079
   48    43 S   CM   _C4_    45     1.49282   117.62881    48.63780
   49    48 S   HC   _H18    46     1.08104   123.76707    66.33948
   50    48 S   CM   _C5_    47     1.33521   112.02012  -114.33379
   51    50 S   HC   _H19    48     1.08128   123.67334  -179.65793
   52    50 S   CT   _C9_    49     1.49448   113.11731     0.75899
   53    52 S   HC   _H21    50     1.09150   111.33954   122.82758
   54    33 S   CT   _C10    51     1.58031   118.24040   -43.12863
   55    54 S   HC   _H22    52     1.09844   110.05714   -42.07919
   56    52 S   OH   _O33    53     1.42156   109.01393  -117.59257
   57    56 S   HO   _H23    54     0.97268   107.60138   -63.92456
  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
  18   2   1   1  12   5  10   4  12   7  13   7   6   2   1   8
   4   7   4   5   4   3   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    54    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    43    52    54    55    45    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    48    50    52    53    54    55    56    45    46    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    52    54    55    45    46    47  
   39    40    41    54    45  
   40    41    42    43    44    48    54    45    46    47  
   41    42    43    45  
   42    43    44    48    49    50    52    54    55    45    46    47  
   43    44    48    54    45    46    47  
   44    48    49    50    51    52    53    54    55    56    45    46    47  
   48    49    50    52    54    55    45  
   46    47    48    52    54    55  
   47    54  
   54  
   49    50    51    52    53    54    55    56  
   50    51    52    54  
   51    52    53    54    55    56    57  
   52    53    54    56  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57  
   56  
   57  
    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   0.296100   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   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   47   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   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   3.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   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    54   268.000  1.529
   33    45   268.000  1.529
   37    38   300.000  1.725
   37    39   549.000  1.340
   39    40   300.000  1.725
   39    41   317.000  1.510
   41    42   245.000  1.781
   41    43   268.000  1.529
   41    45   268.000  1.529
   43    44   340.000  1.090
   43    48   317.000  1.510
   43    54   268.000  1.529
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   320.000  1.410
   54    55   340.000  1.090
   56    57   553.000  0.945
   45    46   245.000  1.781
   45    47   245.000  1.781
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    54    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    75.00000  111.02000
   33    37    39    70.00000  124.00000
   33    54    43    58.35000  112.70000
   33    54    52    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    45    41    58.35000  112.70000
   33    45    46    69.00000  109.80000
   33    45    47    69.00000  109.80000
   37    39    40    75.00000  121.50000
   37    39    41    70.00000  124.00000
   39    37    38    75.00000  121.50000
   39    41    42    75.00000  111.90500
   39    41    43    70.00000  112.02700
   39    41    45    70.00000  112.02700
   41    39    40    75.00000  111.02000
   41    43    44    37.50000  110.70000
   41    43    48    70.00000  112.02700
   41    43    54    58.35000  112.70000
   41    45    46    69.00000  109.80000
   41    45    47    69.00000  109.80000
   43    41    42    69.00000  109.80000
   43    48    49    35.00000  117.00000
   43    48    50    70.00000  124.00000
   43    54    52    58.35000  112.70000
   43    54    55    37.50000  110.70000
   48    43    44    35.00000  109.50000
   48    50    51    35.00000  120.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    70.00000  112.02700
   50    52    56    90.00000  110.39200
   52    50    51    35.00000  117.00000
   52    54    55    37.50000  110.70000
   52    56    57    55.00000  108.50000
   54    33    37    70.00000  112.02700
   54    43    44    37.50000  110.70000
   54    43    48    70.00000  112.02700
   54    52    53    37.50000  110.70000
   56    52    53    35.00000  109.50000
   56    52    54    50.00000  109.50000
   45    33    37    70.00000  112.02700
   45    33    54    58.35000  112.70000
   45    41    42    69.00000  109.80000
   45    41    43    58.35000  112.70000
   47    45    46    80.00000  110.42200
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    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
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.09700  1.0 1.0
   29    33    37    38   0.15600 -1.0 2.0
   29    33    37    38  -0.50800  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    54    43   0.44750  1.0 1.0
   29    33    54    43  -0.17800 -1.0 2.0
   29    33    54    43   0.20200  1.0 3.0
   29    33    54    52   0.44750  1.0 1.0
   29    33    54    52  -0.17800 -1.0 2.0
   29    33    54    52   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    45    41   0.44750  1.0 1.0
   29    33    45    41  -0.17800 -1.0 2.0
   29    33    45    41   0.20200  1.0 3.0
   29    33    45    46   0.56750  1.0 1.0
   29    33    45    46  -0.07550 -1.0 2.0
   29    33    45    46   0.20000  1.0 3.0
   29    33    45    47   0.56750  1.0 1.0
   29    33    45    47  -0.07550 -1.0 2.0
   29    33    45    47   0.20000  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37   -39    41   7.00000 -1.0 2.0
   37    33    54    43   0.34400  1.0 1.0
   37    33    54    43   0.09450 -1.0 2.0
   37    33    54    43   0.11100  1.0 3.0
   37    33    54    52   0.34400  1.0 1.0
   37    33    54    52   0.09450 -1.0 2.0
   37    33    54    52   0.11100  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33   -45    41   0.34400  1.0 1.0
   37    33   -45    41   0.09450 -1.0 2.0
   37    33   -45    41   0.11100  1.0 3.0
   37    33    45    46   0.56750  1.0 1.0
   37    33    45    46  -0.07550 -1.0 2.0
   37    33    45    46   0.20000  1.0 3.0
   37    33    45    47   0.56750  1.0 1.0
   37    33    45    47  -0.07550 -1.0 2.0
   37    33    45    47   0.20000  1.0 3.0
   37    39    41    42   0.09700  1.0 1.0
   37    39    41    42   0.15600 -1.0 2.0
   37    39    41    42  -0.50800  1.0 3.0
   37    39   -41    43   0.09850  1.0 1.0
   37    39   -41    43   0.15250 -1.0 2.0
   37    39   -41    43  -0.50650  1.0 3.0
   37    39   -41    45   0.09850  1.0 1.0
   37    39   -41    45   0.15250 -1.0 2.0
   37    39   -41    45  -0.50650  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    41   7.00000 -1.0 2.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    48   0.31000  1.0 1.0
   39    41    43    48   0.14700 -1.0 2.0
   39    41    43    48   0.07550  1.0 3.0
   39    41    43    54   0.34400  1.0 1.0
   39    41    43    54   0.09450 -1.0 2.0
   39    41    43    54   0.11100  1.0 3.0
   39    41   -45    33   0.34400  1.0 1.0
   39    41   -45    33   0.09450 -1.0 2.0
   39    41   -45    33   0.11100  1.0 3.0
   39    41    45    46   0.56750  1.0 1.0
   39    41    45    46  -0.07550 -1.0 2.0
   39    41    45    46   0.20000  1.0 3.0
   39    41    45    47   0.56750  1.0 1.0
   39    41    45    47  -0.07550 -1.0 2.0
   39    41    45    47   0.20000  1.0 3.0
   40    39    41    42   0.09700  1.0 1.0
   40    39    41    42   0.15600 -1.0 2.0
   40    39    41    42  -0.50800  1.0 3.0
   40    39    41    43   0.09700  1.0 1.0
   40    39    41    43   0.15600 -1.0 2.0
   40    39    41    43  -0.50800  1.0 3.0
   40    39    41    45   0.09700  1.0 1.0
   40    39    41    45   0.15600 -1.0 2.0
   40    39    41    45  -0.50800  1.0 3.0
   41    43    48    49   0.00000  1.0 1.0
   41    43    48    50   0.09850  1.0 1.0
   41    43    48    50   0.15250 -1.0 2.0
   41    43    48    50  -0.50650  1.0 3.0
   41    43   -54    33   0.56750  1.0 1.0
   41    43   -54    33  -0.07550 -1.0 2.0
   41    43   -54    33   0.20000  1.0 3.0
   41    43    54    52   0.56750  1.0 1.0
   41    43    54    52  -0.07550 -1.0 2.0
   41    43    54    52   0.20000  1.0 3.0
   41    43    54    55   0.15000  1.0 3.0
   42    41    43    44   0.27000  1.0 3.0
   42    41    43    48   0.56750  1.0 1.0
   42    41    43    48  -0.07550 -1.0 2.0
   42    41    43    48   0.20000  1.0 3.0
   42    41    43    54   0.35600  1.0 1.0
   42    41    43    54  -0.14650 -1.0 2.0
   42    41    43    54   0.33350  1.0 3.0
   42    41    45    33   0.35600  1.0 1.0
   42    41    45    33  -0.14650 -1.0 2.0
   42    41    45    33   0.33350  1.0 3.0
   42    41    45    46   0.22500  1.0 1.0
   42    41    45    47   0.22500  1.0 1.0
   43    41   -45    33   0.56750  1.0 1.0
   43    41   -45    33  -0.07550 -1.0 2.0
   43    41   -45    33   0.20000  1.0 3.0
   43    41    45    46   0.35600  1.0 1.0
   43    41    45    46  -0.14650 -1.0 2.0
   43    41    45    46   0.33350  1.0 3.0
   43    41    45    47   0.35600  1.0 1.0
   43    41    45    47  -0.14650 -1.0 2.0
   43    41    45    47   0.33350  1.0 3.0
   43    48    50    51   7.00000 -1.0 2.0
   43    48   -50    52   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    54    33   0.15000  1.0 3.0
   44    43    54    52   0.15000  1.0 3.0
   44    43    54    55   0.15000  1.0 3.0
   48    43    54    33   0.34400  1.0 1.0
   48    43    54    33   0.09450 -1.0 2.0
   48    43    54    33   0.11100  1.0 3.0
   48    43   -54    52   0.34400  1.0 1.0
   48    43   -54    52   0.09450 -1.0 2.0
   48    43   -54    52   0.11100  1.0 3.0
   48    43    54    55   0.15000  1.0 3.0
   48    50    52    53   0.00000  1.0 1.0
   48    50   -52    54   0.09850  1.0 1.0
   48    50   -52    54   0.15250 -1.0 2.0
   48    50   -52    54  -0.50650  1.0 3.0
   48    50    52    56   0.67800  1.0 1.0
   48    50    52    56   0.47050 -1.0 2.0
   48    50    52    56  -0.62500  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    52    54    33   0.34400  1.0 1.0
   50    52    54    33   0.09450 -1.0 2.0
   50    52    54    33   0.11100  1.0 3.0
   50    52   -54    43   0.34400  1.0 1.0
   50    52   -54    43   0.09450 -1.0 2.0
   50    52   -54    43   0.11100  1.0 3.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    56    57  -0.07800  1.0 1.0
   50    52    56    57  -0.21500 -1.0 2.0
   50    52    56    57  -0.03150  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   53    52    54    33   0.15000  1.0 3.0
   53    52    54    43   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   54    33    37    38   0.09700  1.0 1.0
   54    33    37    38   0.15600 -1.0 2.0
   54    33    37    38  -0.50800  1.0 3.0
   54    33   -37    39   0.09850  1.0 1.0
   54    33   -37    39   0.15250 -1.0 2.0
   54    33   -37    39  -0.50650  1.0 3.0
   54    33   -45    41   0.56750  1.0 1.0
   54    33   -45    41  -0.07550 -1.0 2.0
   54    33   -45    41   0.20000  1.0 3.0
   54    33    45    46   0.35600  1.0 1.0
   54    33    45    46  -0.14650 -1.0 2.0
   54    33    45    46   0.33350  1.0 3.0
   54    33    45    47   0.35600  1.0 1.0
   54    33    45    47  -0.14650 -1.0 2.0
   54    33    45    47   0.33350  1.0 3.0
   54    43    48    49   0.00000  1.0 1.0
   54    43   -48    50   0.09850  1.0 1.0
   54    43   -48    50   0.15250 -1.0 2.0
   54    43   -48    50  -0.50650  1.0 3.0
   54    52    56    57  -0.11600  1.0 1.0
   54    52    56    57  -0.09450 -1.0 2.0
   54    52    56    57   0.21250  1.0 3.0
   56    52    54    33   0.86500  1.0 1.0
   56    52    54    33  -0.17500 -1.0 2.0
   56    52    54    33   0.20800  1.0 3.0
   56    52    54    43   0.86500  1.0 1.0
   56    52    54    43  -0.17500 -1.0 2.0
   56    52    54    43   0.20800  1.0 3.0
   56    52    54    55   0.23400  1.0 3.0
   45    33    37    38   0.09700  1.0 1.0
   45    33    37    38   0.15600 -1.0 2.0
   45    33    37    38  -0.50800  1.0 3.0
   45    33   -37    39   0.09850  1.0 1.0
   45    33   -37    39   0.15250 -1.0 2.0
   45    33   -37    39  -0.50650  1.0 3.0
   45    33   -54    43   0.56750  1.0 1.0
   45    33   -54    43  -0.07550 -1.0 2.0
   45    33   -54    43   0.20000  1.0 3.0
   45    33    54    52   0.56750  1.0 1.0
   45    33    54    52  -0.07550 -1.0 2.0
   45    33    54    52   0.20000  1.0 3.0
   45    33    54    55   0.15000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    48   0.34400  1.0 1.0
   45    41    43    48   0.09450 -1.0 2.0
   45    41    43    48   0.11100  1.0 3.0
   45    41   -43    54   0.56750  1.0 1.0
   45    41   -43    54  -0.07550 -1.0 2.0
   45    41   -43    54   0.20000  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    38    37    39   1.10000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   43    49    48    50   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
END
