* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    157     299
    1     0 S   NP   _N1_     1    28.06381    96.28423   -22.45368
    2     1 S   H    _HN1     2     1.02957    78.52414    -5.93416
    3     1 S   H    _H1_     3     1.02835    33.90494   141.03987
    4     1 S   H    _H2_     4     1.02776   100.67541  -112.69816
    5     1 S   CT   _CA1     5     1.50129   139.83170   102.16184
    6     5 S   HC   _HA1     6     1.09575   105.21358    81.16031
    7     5 S   CO3  _C1_     7     1.53783   112.36744   -39.02312
    8     7 S   O2Z  _O11     8     1.26364   114.99859   -43.85695
    9     7 S   O2Z  _O12     9     1.26236   114.93079   135.24388
   10     5 S   CT   _CB1    10     1.53096   107.42144  -160.93773
   11    10 S   HC   HB11    11     1.09827   109.31976   -50.57312
   12    10 S   HC   HB12    12     1.09816   110.43159    65.97939
   13    10 S   CT   _CG1    13     1.53018   112.67545  -171.64821
   14    13 S   HC   HG11    14     1.09595   110.48827   -64.56347
   15    13 S   HC   HG12    15     1.09657   109.91708    54.63456
   16    13 S   C    _CD1    16     1.51844   112.32171   174.99469
   17    16 S   O    _OE1    17     1.22747   123.28274     0.38664
   18    16 S   N    _N2_    18     1.38553   111.70203  -179.59362
   19    18 S   H    _HN2    19     1.01557   119.03380     4.41286
   20    18 S   CT1  _CA2    20     1.45880   122.91164   177.83156
   21    20 S   HC   _HA2    21     1.09710   108.96728    24.01401
   22    20 S   C    _C2_    22     1.52871   106.66150   -93.25443
   23    22 S   O    _O2_    23     1.23012   122.88043   -30.65974
   24    20 S   CT   _CB2    32     1.53166   112.18735   147.26145
   25    24 S   HC   HB21    33     1.09597   110.12702    54.71028
   26    24 S   HC   HB22    34     1.09452   110.02745   173.63268
   27    22 S   N    _N3_    24     1.38467   112.75075   152.00355
   28    27 S   H    _HN3    25     1.01668   120.41682    -1.30206
   29    24 S   S    _SG2    35     1.82632   111.06735   -66.05581
   30    27 S   CT   _CA3    26     1.45365   122.33507   178.74805
   31    30 S   HC   HA31    27     1.09570   107.48157   -62.53703
   32    30 S   HC   HA32    28     1.09571   107.89922    53.73962
   33    29 S   CT   _C10    36     1.84190    99.81487   168.19580
   34    33 S   HC   _H3_    37     1.09903   104.80079   -54.18226
   35    30 S   CO3  _C3_    29     1.52865   114.49119   175.69193
   36    35 S   O2Z  _O31    30     1.26307   116.12246    -2.88758
   37    35 S   O2Z  _O32    31     1.26459   114.37516   177.21231
   38    33 S   CT   _C8_    38     1.54574   113.76206    62.43423
   39    38 S   HC   _H18    39     1.10002   106.64171   -78.19371
   40    38 S   CM   _C4_    40     1.51312   112.28365   165.93927
   41    40 S   HC   _H16    41     1.08780   117.29687   168.74178
   42    38 S   CO3  _C6_    54     1.54564   119.33272    42.62838
   43    42 S   O2Z  _O9_    55     1.26568   114.55316  -131.15441
   44    42 S   O2Z  _O33    56     1.26244   116.30918    49.37795
   45    40 S   CM   _C5_    42     1.34094   124.07976    -9.61664
   46    45 S   HC   _H17    43     1.08737   118.50201   177.52765
   47    45 S   CT   _C11    44     1.50093   123.58407    -1.25367
   48    33 S   CT   _C9_    45     1.55051   110.55420  -167.84008
   49    48 S   HC   _H19    46     1.09821   108.54839    56.46451
   50    47 S   CO3  _C7_    49     1.54851   112.43254  -141.21123
   51    50 S   O2Z  _O10    50     1.26367   116.88861    26.20771
   52    50 S   O2Z  _O34    51     1.26850   114.36477  -153.89181
   53    47 S   OH   _O14    52     1.44011   105.51968   102.12523
   54    53 S   HO   _H22    53     0.97485   106.73206   160.88491
   55    48 S   OH   _O13    47     1.42628   111.68647   -60.60296
   56    55 S   HO   _H21    48     0.97463   108.55832   -50.39623
  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  10   5   4   3
  16   8   2   1   1  12   7  10   4   4   1   1  10   4   9   8
   4   5   2   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    48    49    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    55    56    50    53    42    43    44  
   38    39    40    47    48    49    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    49    55    42    43    44  
   40    41    45    48    42    43    44  
   41    45    46    47    48    50    53    42    43    44  
   45    46    47    42  
   43    44    45    48  
   44  
    0  
   46    47    48    49    55    50    51    52    53    54  
   47    48    50    53  
   48    49    55    56    50    51    52    53    54  
   49    55    56    50    51    52    53    54  
   55    56    50    53  
   51    52    53    54    55  
   52    53  
   53  
   54    55  
    0  
   56  
    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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   317.000  1.522
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   268.000  1.529
   47    50   317.000  1.522
   47    53   320.000  1.410
   48    49   340.000  1.090
   48    55   320.000  1.410
   55    56   553.000  0.945
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   553.000  0.945
   42    43   656.000  1.250
   42    44   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  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    70.00000  109.69300
   33    48    47    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    45    70.00000  124.00000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    45    46    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    70.00000  112.02700
   45    47    50    65.00000  111.94000
   45    47    53    90.00000  110.39200
   47    45    46    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    55    50.00000  109.50000
   47    50    51    70.00000  117.00000
   47    50    52    70.00000  117.00000
   47    53    54    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    55    56    55.00000  108.50000
   55    48    49    35.00000  109.50000
   50    47    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   53    47    48    50.00000  109.50000
   53    47    50    95.00000  109.52300
   42    38    39    35.00000  109.50000
   42    38    40    65.00000  111.94000
   44    42    43    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   0.01700  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  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    48    47   0.44750  1.0 1.0
   29    33    48    47  -0.17800 -1.0 2.0
   29    33    48    47   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    45   0.09850  1.0 1.0
   33    38    40    45   0.15250 -1.0 2.0
   33    38    40    45  -0.50650  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    48    55    56  -0.11600  1.0 1.0
   33    48    55    56  -0.09450 -1.0 2.0
   33    48    55    56   0.21250  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  -0.11250  1.0 3.0
   34    33    48    47   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55   0.23400  1.0 3.0
   38    33    48    47   0.56750  1.0 1.0
   38    33    48    47  -0.07550 -1.0 2.0
   38    33    48    47   0.20000  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    55   0.86500  1.0 1.0
   38    33    48    55  -0.17500 -1.0 2.0
   38    33    48    55   0.20800  1.0 3.0
   38    40    45    46   7.00000 -1.0 2.0
   38    40   -45    47   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    44   0.30150 -1.0 2.0
   40    45    47    48   0.09850  1.0 1.0
   40    45    47    48   0.15250 -1.0 2.0
   40    45    47    48  -0.50650  1.0 3.0
   40    45    47    50  -0.51250  1.0 1.0
   40    45    47    50  -0.88800 -1.0 2.0
   40    45    47    50   0.08850  1.0 3.0
   40    45    47    53   0.67800  1.0 1.0
   40    45    47    53   0.47050 -1.0 2.0
   40    45    47    53  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -48    33   0.34400  1.0 1.0
   45    47   -48    33   0.09450 -1.0 2.0
   45    47   -48    33   0.11100  1.0 3.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    55   1.05650  1.0 1.0
   45    47    48    55   0.15600 -1.0 2.0
   45    47    48    55   0.53150  1.0 3.0
   45    47    50    51   0.30150 -1.0 2.0
   45    47    50    52   0.30150 -1.0 2.0
   45    47    53    54  -0.07800  1.0 1.0
   45    47    53    54  -0.21500 -1.0 2.0
   45    47    53    54  -0.03150  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    47    53   0.00000  1.0 1.0
   47    48    55    56  -0.11600  1.0 1.0
   47    48    55    56  -0.09450 -1.0 2.0
   47    48    55    56   0.21250  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   0.34400  1.0 1.0
   48    33   -38    40   0.09450 -1.0 2.0
   48    33   -38    40   0.11100  1.0 3.0
   48    33    38    42  -1.63150  1.0 1.0
   48    33    38    42  -0.43550 -1.0 2.0
   48    33    38    42   0.24500  1.0 3.0
   48    47    50    51   0.41150 -1.0 2.0
   48    47    50    52   0.41150 -1.0 2.0
   48    47    53    54  -0.11600  1.0 1.0
   48    47    53    54  -0.09450 -1.0 2.0
   48    47    53    54   0.21250  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   50    47    48    33  -1.63150  1.0 1.0
   50    47    48    33  -0.43550 -1.0 2.0
   50    47    48    33   0.24500  1.0 3.0
   50    47    48    49  -0.11250  1.0 3.0
   50    47    48    55  -5.33000  1.0 1.0
   50    47    48    55  -0.54250 -1.0 2.0
   50    47    48    55  -0.07300  1.0 3.0
   50    47    53    54   0.91850  1.0 1.0
   50    47    53    54   0.57950  1.0 3.0
   53    47    48    33   0.86500  1.0 1.0
   53    47    48    33  -0.17500 -1.0 2.0
   53    47    48    33   0.20800  1.0 3.0
   53    47    48    49   0.23400  1.0 3.0
   53    47    48    55   3.75450  1.0 1.0
   53    47    50    51   0.30150 -1.0 2.0
   53    47    50    52   0.30150 -1.0 2.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.51250  1.0 1.0
   42    38    40    45  -0.88800 -1.0 2.0
   42    38    40    45   0.08850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    41    40    45   1.10000 -1.0 2.0
   47    46    45    40   1.10000 -1.0 2.0
   51    47    50    52  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
