* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    108    159     315
    1     0 S   NP   _N1_     1    28.89531    94.57129   -23.20067
    2     1 S   H    _HN1     2     1.02840    27.02934   170.69452
    3     1 S   H    _H1_     3     1.02779   104.47495   -88.26044
    4     1 S   H    _H2_     4     1.02959    83.24729    19.00672
    5     1 S   CT   _CA1     5     1.50116   133.07087   130.71661
    6     5 S   HC   _HA1     6     1.09575   105.22188    77.33928
    7     5 S   CO3  _C1_     7     1.53773   112.42196   -42.86728
    8     7 S   O2Z  _O11     8     1.26357   114.99017   -43.09164
    9     7 S   O2Z  _O12     9     1.26236   114.92122   136.10817
   10     5 S   CT   _CB1    10     1.53107   107.45960  -164.72760
   11    10 S   HC   HB11    11     1.09826   109.31417   -50.72304
   12    10 S   HC   HB12    12     1.09818   110.42903    65.83081
   13    10 S   CT   _CG1    13     1.53024   112.67510  -171.81151
   14    13 S   HC   HG11    14     1.09592   110.48483   -64.66837
   15    13 S   HC   HG12    15     1.09658   109.92799    54.55593
   16    13 S   C    _CD1    16     1.51812   112.34065   174.92345
   17    16 S   O    _OE1    17     1.22732   123.26784     0.45197
   18    16 S   N    _N2_    18     1.38641   111.66924  -179.46478
   19    18 S   H    _HN2    19     1.01594   118.99019     1.28268
   20    18 S   CT1  _CA2    20     1.46085   123.43751   178.92918
   21    20 S   HC   _HA2    21     1.09545   109.30444    -3.91487
   22    20 S   C    _C2_    22     1.53437   108.59134  -118.78190
   23    22 S   O    _O2_    23     1.23020   122.22681  -144.69941
   24    20 S   CT   _CB2    32     1.53291   111.68163   118.61428
   25    24 S   HC   HB21    33     1.09662   109.63511    59.50421
   26    24 S   HC   HB22    34     1.09545   110.98936   176.60950
   27    22 S   N    _N3_    24     1.38503   113.41024    42.92404
   28    27 S   H    _HN3    25     1.01483   119.01818    -0.75303
   29    24 S   S    _SG2    35     1.83049   114.81082   -60.37859
   30    27 S   CT   _CA3    26     1.45436   123.30174   174.04260
   31    30 S   HC   HA31    27     1.09532   109.03994    28.00497
   32    30 S   HC   HA32    28     1.09484   107.15726   145.08319
   33    29 S   CT   _C9_    36     1.83493   100.44366   -61.58771
   34    33 S   HC   _H3_    37     1.09357   106.31946    70.42564
   35    30 S   CO3  _C3_    29     1.52996   113.35503   -95.23046
   36    35 S   O2Z  _O31    30     1.26390   115.60686   -37.67286
   37    35 S   O2Z  _O32    31     1.26383   114.83220   143.23998
   38    33 S   CT   _C8_    38     1.54221   110.88935  -171.22743
   39    38 S   HC   _H17    39     1.09746   110.37386   -56.77991
   40    38 S   CT   _C6_    40     1.53610   108.66427  -175.24663
   41    40 S   HC   _H15    41     1.09642   109.64278    64.16415
   42    38 S   N    _N9_    53     1.46884   111.14096    62.63341
   43    42 S   H    _H25    54     1.01581   117.62764    40.65937
   44    40 S   CO4  _C4_    42     1.51952   109.65912   -53.50096
   45    44 S   O    _O10    43     1.23048   122.17284  -138.74476
   46    40 S   OH   _O13    51     1.41432   110.97448  -177.25876
   47    46 S   HO   _H26    52     0.97285   107.53464   179.19133
   48    42 S   C    _C5_    55     1.38329   123.28007  -141.84003
   49    48 S   O    _O33    56     1.22753   125.68597     1.99204
   50    44 S   CT   _C7_    44     1.52287   116.11879    45.47187
   51    50 S   HC   _H16    45     1.09609   107.01618  -158.07966
   52    48 S   CT   _C10    57     1.50455   112.27664  -178.94910
   53    52 S   HC   _H19    58     1.09380   110.17121    51.46446
   54    52 S   HC   _H20    59     1.09348   109.70987   171.11168
   55    52 S   HC   _H21    60     1.09348   109.54190   -69.04704
   56    33 S   OS   _O34    46     1.43114   111.14899   -48.82535
   57    50 S   CT   _C11    47     1.52230   111.18016    83.79738
   58    57 S   HC   _H22    48     1.09463   112.01832   -59.03037
   59    57 S   HC   _H23    49     1.09496   110.52315  -178.31159
   60    57 S   HC   _H24    50     1.09484   110.87515    60.91020
  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   8   5   4   3
  14   6   2   1   1  14   8  12   6  10   3  10   5   2   1   5
   4   6   5   3   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    56    57    46    42    43    48  
   38    39    40    50    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    56    46    47    42    43    48    49    52  
   40    41    44    56    46    42    43    48  
   41    44    45    50    51    56    57    46    47    42    43    48  
   44    45    50    46    47    42  
   43    48    49    52    53    54    55    44    46    56  
   48    49    52  
   45    50    51    56    57    58    59    60    46    47  
   50    51    56    57    46  
   47    50  
    0  
   49    52    53    54    55  
   52    53    54    55  
   51    56    57    58    59    60  
   56    57    58    59    60  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    56   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   320.000  1.410
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   340.000  1.090
   50    56   320.000  1.410
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   553.000  0.945
   42    43   434.000  1.010
   42    48   490.000  1.335
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    56    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    56    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    63.00000  111.10000
   38    40    46    50.00000  109.50000
   38    42    43    38.00000  118.40000
   38    42    48    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.00000
   40    46    47    55.00000  108.50000
   44    40    41    35.00000  109.50000
   44    50    51    35.00000  109.50000
   44    50    56    90.00000  108.74100
   44    50    57    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   56    33    34    35.00000  109.50000
   56    33    38    50.00000  109.50000
   56    50    51    35.00000  109.50000
   57    50    51    37.50000  110.70000
   57    50    56    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  109.61100
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    48    49    80.00000  122.90000
   42    48    52    70.00000  116.60000
   48    42    43    35.00000  119.80000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   52    48    49    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    56   0.13850  1.0 1.0
   24    29    33    56  -1.34450 -1.0 2.0
   24    29    33    56   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    50   0.14700  1.0 1.0
   29    33    56    50  -1.16150 -1.0 2.0
   29    33    56    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.95700  1.0 1.0
   33    38    40    44  -0.18200 -1.0 2.0
   33    38    40    44   0.29450  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    48  -0.43950  1.0 1.0
   33    38    42    48  -0.08100 -1.0 2.0
   33    38    42    48   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    56    50   0.37050  1.0 3.0
   38    33    56    50   0.06250  1.0 1.0
   38    33    56    50  -0.01100 -1.0 2.0
   38    33    56    50   0.28050  1.0 3.0
   38    40    44    45   0.30150 -1.0 2.0
   38    40   -44    50   0.60050  1.0 1.0
   38    40   -44    50   0.05600 -1.0 2.0
   38    40   -44    50   0.26150  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   38    42    48    49   3.04450 -1.0 2.0
   38    42    48    52   1.49850  1.0 1.0
   38    42    48    52   1.53950 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44  -0.11250  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48  -0.43950  1.0 1.0
   40    38    42    48  -0.08100 -1.0 2.0
   40    38    42    48   0.03350  1.0 3.0
   40    44    50    51   0.00000  1.0 1.0
   40    44    50    56   0.55300  1.0 1.0
   40    44    50    56   1.25850 -1.0 2.0
   40    44    50    56  -0.23600  1.0 3.0
   40    44    50    57   0.60050  1.0 1.0
   40    44    50    57   0.05600 -1.0 2.0
   40    44    50    57   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47   0.91850  1.0 1.0
   44    40    46    47   0.57950  1.0 3.0
   44    50   -56    33  -1.11000  1.0 1.0
   44    50   -56    33   0.50250 -1.0 2.0
   44    50   -56    33   0.47450  1.0 3.0
   44    50    57    58  -0.11250  1.0 3.0
   44    50    57    59  -0.11250  1.0 3.0
   44    50    57    60  -0.11250  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    56   0.30150 -1.0 2.0
   45    44    50    57   0.30150 -1.0 2.0
   51    50    56    33   0.37050  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   56    33    38    39   0.23400  1.0 3.0
   56    33   -38    40   0.62750  1.0 1.0
   56    33   -38    40  -0.30950 -1.0 2.0
   56    33   -38    40   0.27300  1.0 3.0
   56    33    38    42   1.12100  1.0 1.0
   56    33    38    42  -0.16500 -1.0 2.0
   56    50    57    58   0.23400  1.0 3.0
   56    50    57    59   0.23400  1.0 3.0
   56    50    57    60   0.23400  1.0 3.0
   57    50    56    33   0.06250  1.0 1.0
   57    50    56    33  -0.01100 -1.0 2.0
   57    50    56    33   0.28050  1.0 3.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    50   0.55300  1.0 1.0
   46    40    44    50   1.25850 -1.0 2.0
   46    40    44    50  -0.23600  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -2.10200  1.0 1.0
   42    38    40    44  -0.31600 -1.0 2.0
   42    38    40    44   0.13050  1.0 3.0
   42    38    40    46   2.76900  1.0 1.0
   42    38    40    46  -0.24350 -1.0 2.0
   42    38    40    46  -0.78250  1.0 3.0
   42    48    52    53   0.00000  1.0 1.0
   42    48    52    54   0.00000  1.0 1.0
   42    48    52    55   0.00000  1.0 1.0
   43    42    48    49   2.45000 -1.0 2.0
   43    42    48    52   2.45000 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    55   0.00000  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   43    48    42    38   1.00000 -1.0 2.0
   42    52    48    49  10.50000 -1.0 2.0
END
