* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    104    160     310
    1     0 S   NP   _N1_     1    28.87544    96.45352   -24.37121
    2     1 S   H    _HN1     2     1.02798   115.64650   -99.19011
    3     1 S   H    _H1_     3     1.02946    70.41010     2.36968
    4     1 S   H    _H2_     4     1.02826    36.97059   174.90215
    5     1 S   CT   _CA1     5     1.50133   128.88516   103.25299
    6     5 S   HC   _HA1     6     1.09573   105.14605    96.87777
    7     5 S   CO3  _C1_     7     1.53756   112.47662   -23.31937
    8     7 S   O2Z  _O11     8     1.26378   114.99737   -42.16485
    9     7 S   O2Z  _O12     9     1.26232   114.93957   136.79713
   10     5 S   CT   _CB1    10     1.53049   107.39975  -145.15276
   11    10 S   HC   HB11    11     1.09846   109.30352   -49.18963
   12    10 S   HC   HB12    12     1.09810   110.48506    67.39027
   13    10 S   CT   _CG1    13     1.53043   112.67228  -170.10878
   14    13 S   HC   HG11    14     1.09561   110.78758   -68.33424
   15    13 S   HC   HG12    15     1.09666   109.65680    50.92787
   16    13 S   C    _CD1    16     1.51818   111.82357   171.44333
   17    16 S   O    _OE1    17     1.22769   123.10237    15.52664
   18    16 S   N    _N2_    18     1.38647   111.95654  -164.48109
   19    18 S   H    _HN2    19     1.01574   118.98943     0.79303
   20    18 S   CT1  _CA2    20     1.46222   123.32066   175.67184
   21    20 S   HC   _HA2    21     1.09737   109.29501     8.52507
   22    20 S   C    _C2_    22     1.53700   108.70693  -106.97252
   23    22 S   O    _O2_    23     1.23082   122.26113  -147.48104
   24    20 S   CT   _CB2    32     1.53285   111.78033   130.57818
   25    24 S   HC   HB21    33     1.09599   110.24189    56.66554
   26    24 S   HC   HB22    34     1.09471   109.99857   175.57517
   27    22 S   N    _N3_    24     1.38316   113.85830    39.91839
   28    27 S   H    _HN3    25     1.01534   119.65075    -2.88568
   29    24 S   S    _SG2    35     1.82699   111.73658   -64.03147
   30    27 S   CT   _CA3    26     1.45283   123.30554   177.35366
   31    30 S   HC   HA31    27     1.09546   107.48086   -65.68532
   32    30 S   HC   HA32    28     1.09555   108.04095    50.78822
   33    29 S   CT   _C6_    36     1.83405    99.15438  -175.96517
   34    33 S   HC   _H4_    37     1.09585   108.60463   -34.61891
   35    30 S   CO3  _C3_    29     1.52986   114.02251   172.80751
   36    35 S   O2Z  _O31    30     1.26390   116.08313    -0.71518
   37    35 S   O2Z  _O32    31     1.26424   114.41956   179.35320
   38    33 S   CO4  _C7_    38     1.52977   110.40242    82.97258
   39    38 S   O    _O33    39     1.23060   123.99332   -10.07224
   40    38 S   CT   _C8_    40     1.52472   115.22062   174.14442
   41    40 S   HC   _H5_    41     1.09615   108.24593    68.15095
   42    40 S   CT   _C9_    42     1.52484   109.14265   -53.79199
   43    42 S   HC   _H6_    43     1.09661   110.91848   -69.22152
   44    40 S   OH   _O34    56     1.41867   110.31966  -173.41578
   45    44 S   HO   _H12    57     0.97383   107.41080   -55.15701
   46    42 S   CT   _C4_    44     1.52501   111.99062    55.18870
   47    46 S   HC   _H7_    45     1.09821   109.58033  -179.56210
   48    46 S   HC   _H8_    46     1.09912   109.94025    63.94499
   49    42 S   NP   _N4_    52     1.49185   108.80665   175.22468
   50    49 S   H    _H9_    53     1.02873   111.47533   176.18120
   51    49 S   H    _H10    54     1.02958   110.55560    56.83052
   52    49 S   H    _H11    55     1.02879   112.17081   -63.05789
   53    33 S   CT   _C5_    47     1.53518   109.69709  -155.87930
   54    53 S   HC   _H3_    48     1.09955   109.80147   -54.73194
   55    53 S   CO3  _C10    49     1.54138   114.40868    68.37222
   56    55 S   O2Z  _O36    50     1.26245   115.99248    33.94835
   57    55 S   O2Z  _O35    51     1.26418   114.41168  -147.08950
  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
  15   7   2   1   1  12   5  13   6  13   9   3   1  11   5   4
   4   2   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    53    54    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    47    48    53    54    55    56    57    44  
   38    39    40    46    53    54    55  
   36    37  
   37  
    0  
   39    40    41    42    43    46    53    54    55    49    44    45  
   40    41    42    53    44  
   41    42    43    46    47    48    53    49    50    51    52    44    45  
   42    43    46    49    44    45  
   43    46    47    48    53    54    55    49    50    51    52    44    45  
   46    47    48    53    49    50    51    52    44  
   45    46    49  
    0  
   47    48    53    54    55    56    57    49    50    51    52  
   48    53    54    55    49  
   53    54    55    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57  
   55    56    57  
   56    57  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   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  1.522
   33    53   268.000  1.529
   38    39   570.000  1.229
   38    40   317.000  1.522
   40    41   340.000  1.090
   40    42   268.000  1.529
   40    44   320.000  1.410
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   367.000  1.471
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.522
   55    56   656.000  1.250
   55    57   656.000  1.250
   49    50   434.000  1.010
   49    51   434.000  1.010
   49    52   434.000  1.010
   44    45   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    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  110.18000
   29    33    53    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.00000
   33    53    46    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    55    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    42    63.00000  111.10000
   38    40    44    90.00000  109.61100
   40    38    39    80.00000  120.40000
   40    42    43    37.50000  110.70000
   40    42    46    58.35000  112.70000
   40    42    49    80.00000  111.20000
   40    44    45    55.00000  108.50000
   42    40    41    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    53    58.35000  112.70000
   42    49    50    35.00000  109.50000
   42    49    51    35.00000  109.50000
   42    49    52    35.00000  109.50000
   46    42    43    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    70.00000  109.69300
   48    46    47    33.00000  107.80000
   53    33    34    37.50000  110.70000
   53    33    38    63.00000  111.10000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    55    56    70.00000  117.00000
   53    55    57    70.00000  117.00000
   55    53    54    35.00000  109.50000
   57    55    56    80.00000  126.00000
   49    42    43    35.00000  109.50000
   49    42    46    80.00000  111.20000
   51    49    50    35.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   44    40    41    35.00000  109.50000
   44    40    42    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42   0.60050  1.0 1.0
   33    38    40    42   0.05600 -1.0 2.0
   33    38    40    42   0.26150  1.0 3.0
   33    38    40    44   0.55300  1.0 1.0
   33    38    40    44   1.25850 -1.0 2.0
   33    38    40    44  -0.23600  1.0 3.0
   33    53    55    56   0.41150 -1.0 2.0
   33    53    55    57   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    55  -0.11250  1.0 3.0
   38    33    53    46  -0.95700  1.0 1.0
   38    33    53    46  -0.18200 -1.0 2.0
   38    33    53    46   0.29450  1.0 3.0
   38    33    53    54  -0.11250  1.0 3.0
   38    33    53    55  -0.30950  1.0 1.0
   38    33    53    55   1.11150 -1.0 2.0
   38    33    53    55   0.40350  1.0 3.0
   38    40    42    43  -0.11250  1.0 3.0
   38    40   -42    46  -0.95700  1.0 1.0
   38    40   -42    46  -0.18200 -1.0 2.0
   38    40   -42    46   0.29450  1.0 3.0
   38    40    42    49  -1.46550  1.0 1.0
   38    40    42    49  -0.30600 -1.0 2.0
   38    40    42    49  -0.05950  1.0 3.0
   38    40    44    45   0.91850  1.0 1.0
   38    40    44    45   0.57950  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.30150 -1.0 2.0
   39    38    40    44   0.30150 -1.0 2.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    53   0.56750  1.0 1.0
   40    42    46    53  -0.07550 -1.0 2.0
   40    42    46    53   0.20000  1.0 3.0
   40    42    49    50   0.17350  1.0 3.0
   40    42    49    51   0.17350  1.0 3.0
   40    42    49    52   0.17350  1.0 3.0
   41    40    42    43   0.15000  1.0 3.0
   41    40    42    46   0.15000  1.0 3.0
   41    40    42    49   0.19200  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   42    40    44    45  -0.11600  1.0 1.0
   42    40    44    45  -0.09450 -1.0 2.0
   42    40    44    45   0.21250  1.0 3.0
   42    46   -53    33   0.56750  1.0 1.0
   42    46   -53    33  -0.07550 -1.0 2.0
   42    46   -53    33   0.20000  1.0 3.0
   42    46    53    54   0.15000  1.0 3.0
   42    46    53    55  -1.63150  1.0 1.0
   42    46    53    55  -0.43550 -1.0 2.0
   42    46    53    55   0.24500  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    53   0.15000  1.0 3.0
   43    42    49    50   0.13050  1.0 3.0
   43    42    49    51   0.13050  1.0 3.0
   43    42    49    52   0.13050  1.0 3.0
   46    42    49    50   0.17350  1.0 3.0
   46    42    49    51   0.17350  1.0 3.0
   46    42    49    52   0.17350  1.0 3.0
   46    53    55    56   0.41150 -1.0 2.0
   46    53    55    57   0.41150 -1.0 2.0
   47    46    53    33   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55  -0.11250  1.0 3.0
   48    46    53    33   0.15000  1.0 3.0
   48    46    53    54   0.15000  1.0 3.0
   48    46    53    55  -0.11250  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    33   -38    40   0.60050  1.0 1.0
   53    33   -38    40   0.05600 -1.0 2.0
   53    33   -38    40   0.26150  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   49    42    46    47   0.19200  1.0 3.0
   49    42    46    48   0.19200  1.0 3.0
   49    42    46    53   1.36600  1.0 1.0
   49    42    46    53  -0.11450 -1.0 2.0
   49    42    46    53   0.24250  1.0 3.0
   44    40    42    43   0.23400  1.0 3.0
   44    40    42    46   0.86500  1.0 1.0
   44    40    42    46  -0.17500 -1.0 2.0
   44    40    42    46   0.20800  1.0 3.0
   44    40    42    49   1.69300  1.0 1.0
   44    40    42    49  -0.48450 -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    40    38    39  10.50000 -1.0 2.0
   56    53    55    57  10.50000 -1.0 2.0
END
