* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    156     301
    1     0 S   NP   _N1_     1    27.98802    95.64941   -23.48399
    2     1 S   H    _HN1     2     1.02837    26.70277   141.58566
    3     1 S   H    _H1_     3     1.02776   102.91329  -114.20701
    4     1 S   H    _H2_     4     1.02959    84.40846    -6.64189
    5     1 S   CT   _CA1     5     1.50122   133.85963   106.40946
    6     5 S   HC   _HA1     6     1.09575   105.22861    75.25532
    7     5 S   CO3  _C1_     7     1.53791   112.35041   -44.95352
    8     7 S   O2Z  _O11     8     1.26363   114.99782   -44.34924
    9     7 S   O2Z  _O12     9     1.26237   114.93457   134.77840
   10     5 S   CT   _CB1    10     1.53101   107.42936  -166.83235
   11    10 S   HC   HB11    11     1.09825   109.35464   -50.62543
   12    10 S   HC   HB12    12     1.09816   110.42100    65.93783
   13    10 S   CT   _CG1    13     1.53011   112.64950  -171.70251
   14    13 S   HC   HG11    14     1.09597   110.46804   -63.77635
   15    13 S   HC   HG12    15     1.09654   109.94194    55.41245
   16    13 S   C    _CD1    16     1.51835   112.34288   175.79402
   17    16 S   O    _OE1    17     1.22745   123.29941    -0.98596
   18    16 S   N    _N2_    18     1.38545   111.66939   179.07804
   19    18 S   H    _HN2    19     1.01552   119.05583     4.43288
   20    18 S   CT1  _CA2    20     1.45870   122.94152   178.57563
   21    20 S   HC   _HA2    21     1.09722   108.90471    24.55195
   22    20 S   C    _C2_    22     1.52909   106.93175   -92.60940
   23    22 S   O    _O2_    23     1.22997   123.00047   -27.62041
   24    20 S   CT   _CB2    32     1.53169   112.13146   147.69085
   25    24 S   HC   HB21    33     1.09540   110.06791    55.57995
   26    24 S   HC   HB22    34     1.09533   110.25199   174.46388
   27    22 S   N    _N3_    24     1.38485   112.64036   155.09143
   28    27 S   H    _HN3    25     1.01673   120.34990    -1.93371
   29    24 S   S    _SG2    35     1.82564   111.11843   -65.51388
   30    27 S   CT   _CA3    26     1.45362   122.41674   178.67323
   31    30 S   HC   HA31    27     1.09571   107.69758   -57.47153
   32    30 S   HC   HA32    28     1.09564   107.69878    58.83044
   33    29 S   CT   _C10    36     1.83770    99.44155   177.27638
   34    33 S   HC   _H4_    37     1.09511   108.72438    35.00726
   35    30 S   CO3  _C3_    29     1.52875   114.38993  -179.40258
   36    35 S   O2Z  _O31    30     1.26321   116.07220    -2.94537
   37    35 S   O2Z  _O32    31     1.26438   114.40471   177.07216
   38    33 S   CM   _C9_    38     1.50832   108.79093   -82.78155
   39    38 S   HC   _H9_    39     1.08701   117.66783    64.36434
   40    38 S   CM   _C8_    40     1.34181   124.17747  -118.20858
   41    40 S   HC   _H8_    41     1.08645   119.15583  -177.76752
   42    40 S   CT   _C7_    42     1.50890   123.34080     1.52585
   43    42 S   HC   _H3_    43     1.09643   110.08037   138.23876
   44    42 S   CT   _C13    44     1.54693   111.56942    19.93007
   45    44 S   HC   _H5_    45     1.09778   108.50493    74.11193
   46    42 S   OS   _O35    52     1.44101   109.56381  -100.71272
   47    33 S   CM   _C11    46     1.51151   108.48205   154.02140
   48    44 S   OH   _O38    50     1.42561   109.15445  -170.39111
   49    48 S   HO   _H10    51     0.97459   107.16775   163.02495
   50    46 S   CM   _C5_    53     1.38147   116.13173   -71.29443
   51    47 S   CMA  _C12    47     1.51974   119.96391   -83.81418
   52    51 S   OM   _O36    48     1.26311   120.62102   124.39696
   53    51 S   OM   _O37    49     1.26229   120.75921   -55.56685
   54    50 S   CM   _C4_    54     1.33723   120.76604   139.69456
   55    54 S   HC   _H6_    55     1.08485   120.52083    -1.68237
   56    54 S   HC   _H7_    56     1.08464   121.74494   178.33634
   57    50 S   CO3  _C6_    57     1.53477   120.65919   -43.64865
   58    57 S   O2Z  _O34    58     1.26532   115.40716   125.03974
   59    57 S   O2Z  _O33    59     1.26466   115.18367   -54.98275
  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
  13   6   2   1   1   9   4   9   4  11   6   9   5   9   5   2
   1   6   2   1   1   5   2   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    47    51    52    53    48  
   38    39    40    44    47    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    51    46  
   40    41    42    47  
   41    42    43    44    45    47    48    46    50  
   42    43    44    46  
   43    44    45    47    51    48    49    46    50    54    57  
   44    45    47    48    46    50  
   45    47    51    52    53    48    49    46    50  
   47    51    48    49    46  
   50    54    55    56    57    58    59    47    48  
   51    52    53    48    49  
   49    51  
    0  
   54    55    56    57    58    59  
   52    53  
   53  
    0  
   55    56    57    58    59  
   56    57  
   57  
   58    59  
   59  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   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    47   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    47   317.000  1.510
   44    48   320.000  1.410
   47    51   465.000  1.376
   51    52   745.000  1.250
   51    53   745.000  1.250
   48    49   553.000  0.945
   46    50   440.000  1.360
   50    54   549.000  1.340
   50    57   230.000  1.545
   54    55   340.000  1.080
   54    56   340.000  1.080
   57    58   656.000  1.250
   57    59   656.000  1.250
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    47    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    65.00000  117.92700
   33    47    51    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    85.00000  110.90400
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    47    70.00000  112.02700
   42    44    48    50.00000  109.50000
   42    46    50    90.00000  111.18400
   44    42    43    37.50000  110.70000
   44    47    51    70.00000  124.00000
   44    48    49    55.00000  108.50000
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  110.12100
   47    44    45    35.00000  109.50000
   47    51    52    65.00000  137.10300
   47    51    53    65.00000  137.10300
   53    51    52    65.00000  121.00000
   48    44    45    35.00000  109.50000
   48    44    47    90.00000  110.39200
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  109.50000
   46    50    54    80.00000  120.01400
   46    50    57    80.00000  119.00000
   50    54    55    35.00000  120.00000
   50    54    56    35.00000  120.00000
   50    57    58    85.00000  113.83300
   50    57    59    85.00000  113.83300
   56    54    55    35.00000  117.00000
   57    50    54    55.00000  124.75400
   59    57    58    80.00000  126.00000
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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.30250  1.0 1.0
   29    33    47    44  -0.14950 -1.0 2.0
   29    33    47    44   0.36900  1.0 3.0
   29    33    47    51   0.42700  1.0 1.0
   29    33    47    51  -0.70350 -1.0 2.0
   29    33    47    51  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    51    52   7.00000 -1.0 2.0
   33    47    51    53   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.34800  1.0 3.0
   34    33    47    51   0.00000  1.0 1.0
   38    33    47    44   0.09700  1.0 1.0
   38    33    47    44   0.15600 -1.0 2.0
   38    33    47    44  -0.50800  1.0 3.0
   38    33    47    51  -0.28300  1.0 1.0
   38    33    47    51   0.26700 -1.0 2.0
   38    33    47    51  -0.63300  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.39000  1.0 1.0
   38    40    42    46  -0.05800 -1.0 2.0
   38    40    42    46  -0.55150  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    47   0.31000  1.0 1.0
   40    42    44    47   0.14700 -1.0 2.0
   40    42    44    47   0.07550  1.0 3.0
   40    42    44    48   1.05650  1.0 1.0
   40    42    44    48   0.15600 -1.0 2.0
   40    42    44    48   0.53150  1.0 3.0
   40    42    46    50  -0.48150  1.0 1.0
   40    42    46    50   0.09250 -1.0 2.0
   40    42    46    50  -0.12850  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -47    33   0.46850  1.0 1.0
   42    44   -47    33   0.08550 -1.0 2.0
   42    44   -47    33   0.09800  1.0 3.0
   42    44    47    51   0.09850  1.0 1.0
   42    44    47    51   0.15250 -1.0 2.0
   42    44    47    51  -0.50650  1.0 3.0
   42    44    48    49  -0.11600  1.0 1.0
   42    44    48    49  -0.09450 -1.0 2.0
   42    44    48    49   0.21250  1.0 3.0
   42    46    50    54  -2.26850  1.0 1.0
   42    46    50    54   3.39050 -1.0 2.0
   42    46    50    57   0.15100 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    48   0.23400  1.0 3.0
   43    42    46    50   0.08050  1.0 3.0
   44    42    46    50  -0.46850  1.0 1.0
   44    42    46    50   0.09300 -1.0 2.0
   44    42    46    50  -0.12850  1.0 3.0
   44    47    51    52   7.00000 -1.0 2.0
   44    47    51    53   7.00000 -1.0 2.0
   45    44    47    33   0.34800  1.0 3.0
   45    44    47    51   0.00000  1.0 1.0
   45    44    48    49   0.19450  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40  -0.28300  1.0 1.0
   47    33   -38    40   0.26700 -1.0 2.0
   47    33   -38    40  -0.63300  1.0 3.0
   47    44    48    49  -0.07800  1.0 1.0
   47    44    48    49  -0.21500 -1.0 2.0
   47    44    48    49  -0.03150  1.0 3.0
   48    44    47    33   0.18000  1.0 1.0
   48    44    47    33   0.16450 -1.0 2.0
   48    44    47    33   0.04450  1.0 3.0
   48    44    47    51   0.67800  1.0 1.0
   48    44    47    51   0.47050 -1.0 2.0
   48    44    47    51  -0.62500  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    47   0.61850  1.0 1.0
   46    42    44    47  -0.22750 -1.0 2.0
   46    42    44    47   0.15300  1.0 3.0
   46    42    44    48   3.69350  1.0 1.0
   46    42    44    48  -1.82950 -1.0 2.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    56   7.00000 -1.0 2.0
   46    50    57    58  -0.11900  1.0 1.0
   46    50    57    58   0.76850 -1.0 2.0
   46    50    57    58   0.14100  1.0 3.0
   46    50    57    59  -0.11900  1.0 1.0
   46    50    57    59   0.76850 -1.0 2.0
   46    50    57    59   0.14100  1.0 3.0
   54    50    57    58  -0.04000 -1.0 2.0
   54    50    57    58  -0.29050  1.0 3.0
   54    50    57    59  -0.04000 -1.0 2.0
   54    50    57    59  -0.29050  1.0 3.0
   57    50    54    55   7.00000 -1.0 2.0
   57    50    54    56   7.00000 -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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   33    44    47    51   1.10000 -1.0 2.0
   52    53    51    47   1.10000 -1.0 2.0
   46    57    50    54  15.00000 -1.0 2.0
   55    56    54    50  15.00000 -1.0 2.0
   58    50    57    59  10.50000 -1.0 2.0
END
