* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    102    150     289
    1     0 S   NP   _N1_     1    28.20365    95.34185   -22.19316
    2     1 S   H    _HN1     2     1.02958    83.51578    -1.84186
    3     1 S   H    _H1_     3     1.02834    30.79337   138.18564
    4     1 S   H    _H2_     4     1.02774    97.72618  -109.57345
    5     1 S   CT   _CA1     5     1.50147   139.45509   112.09876
    6     5 S   HC   _HA1     6     1.09576   105.18518    73.08131
    7     5 S   CO3  _C1_     7     1.53778   112.40996   -47.03077
    8     7 S   O2Z  _O11     8     1.26364   114.98537   -41.94981
    9     7 S   O2Z  _O12     9     1.26238   114.93909   137.08521
   10     5 S   CT   _CB1    10     1.53093   107.40499  -169.02693
   11    10 S   HC   HB11    11     1.09827   109.26202   -50.39698
   12    10 S   HC   HB12    12     1.09819   110.44629    66.14481
   13    10 S   CT   _CG1    13     1.53018   112.71649  -171.48955
   14    13 S   HC   HG11    14     1.09593   110.46609   -65.55675
   15    13 S   HC   HG12    15     1.09657   109.94071    53.66889
   16    13 S   C    _CD1    16     1.51821   112.30986   173.96941
   17    16 S   O    _OE1    17     1.22758   123.29215     0.08847
   18    16 S   N    _N2_    18     1.38577   111.73748  -179.78511
   19    18 S   H    _HN2    19     1.01561   119.06713     4.35793
   20    18 S   CT1  _CA2    20     1.45745   122.79988   178.17844
   21    20 S   HC   _HA2    21     1.09546   108.59846    23.36627
   22    20 S   C    _C2_    22     1.52868   107.19576   -93.21872
   23    22 S   O    _O2_    23     1.22960   123.06590   -27.14594
   24    20 S   CT   _CB2    32     1.53210   112.29848   146.85044
   25    24 S   HC   HB21    33     1.09653   109.80898    57.33699
   26    24 S   HC   HB22    34     1.09501   111.27984   174.89589
   27    22 S   N    _N3_    24     1.38494   112.48509   155.53041
   28    27 S   H    _HN3    25     1.01653   120.39858    -1.94622
   29    24 S   S    _SG2    35     1.82663   113.10905   -61.88344
   30    27 S   CT   _CA3    26     1.45348   122.50569   178.70215
   31    30 S   HC   HA31    27     1.09564   107.72765   -57.78686
   32    30 S   HC   HA32    28     1.09562   107.70383    58.56448
   33    29 S   CT   _C11    36     1.83996   100.13060   -74.23852
   34    33 S   HC   _H3_    37     1.09416   110.97529    22.01756
   35    30 S   CO3  _C3_    29     1.52893   114.26840  -179.63523
   36    35 S   O2Z  _O31    30     1.26343   116.03926    -0.72443
   37    35 S   O2Z  _O32    31     1.26427   114.42120   179.27368
   38    33 S   CO4  _C8_    38     1.53498   107.14598   -93.68993
   39    38 S   O    _O34    39     1.22956   121.84408    65.54788
   40    33 S   CM   _C10    48     1.52323   108.86834   141.49789
   41    38 S   C5BC _C5_    40     1.44548   116.79145  -113.73314
   42    40 S   OS   _O14    49     1.39467   114.32591   -64.00879
   43    41 S   C5BC _C4_    41     1.41372   130.59821   176.20605
   44    43 S   HA   _H16    42     1.08076   127.76046    -0.09279
   45    42 S   CT   _C13    50     1.42580   111.05294   -86.45607
   46    45 S   HC   _H21    51     1.09398   107.84828  -176.19805
   47    45 S   HC   _H22    52     1.09429   111.22377    65.55785
   48    45 S   HC   _H23    53     1.09522   111.35586   -57.78533
   49    43 S   C5A  _C7_    43     1.37423   105.76112  -179.89721
   50    49 S   OA   _O13    44     1.35999   110.30801    -0.20653
   51    49 S   CT   _C12    54     1.47436   133.53399   179.84934
   52    51 S   HC   _H18    55     1.09430   110.49735   119.89950
   53    51 S   HC   _H19    56     1.09430   110.49803  -120.09935
   54    51 S   HC   _H20    57     1.09438   111.06795    -0.09891
   55    41 S   C5A  _C6_    45     1.38999   121.09258    -4.03920
   56    55 S   CMA  _C9_    46     1.43759   125.78263    -0.60716
   57    56 S   OM   _O33    47     1.26026   112.38721  -178.01801
  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
  11   6   2   1   1  10   4  10   8   7   9   4   4   2   1   1
   7   7   4   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    56    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    43    55    56    57    40    42    45  
   38    39    41    56    40    42  
   36    37  
   37  
    0  
   39    41    43    44    49    50    55    56    40    42  
   41    43    55    40  
   42    45    46    47    48    41    50    55    56    57  
   43    44    49    50    55    56    57    51  
   45    46    47    48    55    56    57  
   44    49    50    55    56    51    52    53    54  
   49    50    55    51  
   46    47    48    56  
   47    48  
   48  
    0  
   50    55    56    51    52    53    54  
   55    56    57    51    52    53    54  
   52    53    54    55  
   53    54  
   54  
    0  
   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   1.3810   1.2100   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.123000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   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    40   317.000  1.510
   38    39   570.000  1.229
   38    41   320.000  1.468
   41    43   469.000  1.424
   41    55   546.000  1.367
   43    44   367.000  1.080
   43    49   546.000  1.367
   49    50   340.000  1.360
   49    51   295.000  1.489
   50    55   340.000  1.360
   55    56   375.000  1.423
   56    57   745.000  1.250
   56    40   465.000  1.376
   40    42   440.000  1.360
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    56    70.00000  124.00000
   33    40    42    85.00000  112.85300
   38    33    34    35.00000  109.50000
   38    41    43    50.00000  131.05000
   38    41    55    60.00000  121.69000
   41    38    39    80.00000  122.10000
   41    43    44    35.00000  127.50000
   41    43    49    70.00000  107.30000
   41    55    50    70.00000  110.60000
   41    55    56    50.00000  133.16000
   43    49    50    70.00000  110.60000
   43    49    51    50.00000  133.50000
   49    43    44    35.00000  125.70000
   49    50    55    70.00000  106.50000
   49    51    52    45.00000  110.47400
   49    51    53    45.00000  110.47400
   49    51    54    45.00000  110.47400
   50    55    56    80.00000  117.00000
   55    41    43    70.00000  107.30000
   55    56    57    85.00000  114.86500
   55    56    40    55.00000  128.24000
   56    40    42    80.00000  120.01400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  109.06800
   40    56    57    65.00000  137.10300
   40    42    45    90.00000  111.18400
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   51    49    50    80.00000  116.10000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    56   0.42700  1.0 1.0
   29    33    40    56  -0.70350 -1.0 2.0
   29    33    40    56  -0.43150  1.0 3.0
   29    33    40    42   0.09700  1.0 1.0
   29    33    40    42   0.15600 -1.0 2.0
   29    33    40    42  -0.50800  1.0 3.0
   33    38    41    43   2.26350  1.0 1.0
   33    38    41    43   0.76750 -1.0 2.0
   33    38    41    43   0.22500  1.0 3.0
   33    38    41    55   2.26350  1.0 1.0
   33    38    41    55   0.76750 -1.0 2.0
   33    38    41    55   0.22500  1.0 3.0
   33    40    42    45   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    56   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   38    33    40    56  -0.51250  1.0 1.0
   38    33    40    56  -0.88800 -1.0 2.0
   38    33    40    56   0.08850  1.0 3.0
   38    33    40    42   0.09700  1.0 1.0
   38    33    40    42   0.15600 -1.0 2.0
   38    33    40    42  -0.50800  1.0 3.0
   38    41    43    44   3.62500 -1.0 2.0
   38    41    43    49   3.62500 -1.0 2.0
   38    41    55    50   3.62500 -1.0 2.0
   38    41   -55    56   3.62500 -1.0 2.0
   39    38    41    43   1.05000 -1.0 2.0
   39    38    41    55   1.05000 -1.0 2.0
   41    43   -49    50   3.62500 -1.0 2.0
   41    43    49    51   3.62500 -1.0 2.0
   41    55    56    57  -0.01750  1.0 1.0
   41    55    56    57  -0.32000 -1.0 2.0
   41    55    56    57   0.00600  1.0 3.0
   41    55    56    40   0.15800  1.0 1.0
   41    55    56    40   1.85350 -1.0 2.0
   41    55    56    40  -0.48700  1.0 3.0
   43    41   -55    50   3.62500 -1.0 2.0
   43    41    55    56   3.62500 -1.0 2.0
   43    49   -50    55   3.62500 -1.0 2.0
   43    49    51    52   0.00000  1.0 1.0
   43    49    51    53   0.00000  1.0 1.0
   43    49    51    54   0.00000  1.0 1.0
   44    43    49    50   3.62500 -1.0 2.0
   44    43    49    51   3.62500 -1.0 2.0
   49    50   -55    41   3.62500 -1.0 2.0
   49    50    55    56   3.62500 -1.0 2.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   50    55    56    57  -0.01750  1.0 1.0
   50    55    56    57  -0.32000 -1.0 2.0
   50    55    56    57   0.00600  1.0 3.0
   50    55    56    40   0.11450  1.0 1.0
   50    55    56    40   1.85100 -1.0 2.0
   50    55    56    40  -0.49050  1.0 3.0
   55    41    43    44   3.62500 -1.0 2.0
   55    41   -43    49   3.62500 -1.0 2.0
   55    56   -40    33   7.00000 -1.0 2.0
   55    56    40    42   7.00000 -1.0 2.0
   56    40    42    45  -2.26850  1.0 1.0
   56    40    42    45   3.39050 -1.0 2.0
   57    56    40    33   7.00000 -1.0 2.0
   57    56    40    42   7.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    41   0.65300  1.0 1.0
   40    33   -38    41  -0.03850 -1.0 2.0
   40    33   -38    41   0.33900  1.0 3.0
   40    42    45    46   0.08050  1.0 3.0
   40    42    45    47   0.08050  1.0 3.0
   40    42    45    48   0.08050  1.0 3.0
   51    49    50    55   3.62500 -1.0 2.0
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
   33    41    38    39  10.50000 -1.0 2.0
   43    55    41    38   4.00000 -1.0 2.0
   49    44    43    41   1.10000 -1.0 2.0
   51    50    49    43   4.00000 -1.0 2.0
   50    56    55    41   4.00000 -1.0 2.0
   55    57    56    40   1.10000 -1.0 2.0
   33    42    40    56   1.10000 -1.0 2.0
END
