* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     96    147     285
    1     0 S   NP   _N1_     1    28.77189    96.82927   -23.20246
    2     1 S   H    _HN1     2     1.02789   105.83775   -95.72749
    3     1 S   H    _H1_     3     1.02948    68.30505     8.15801
    4     1 S   H    _H2_     4     1.02827    41.79461   164.95440
    5     1 S   CT   _CA1     5     1.50121   139.57239   104.56138
    6     5 S   HC   _HA1     6     1.09573   105.17473    97.50623
    7     5 S   CO3  _C1_     7     1.53781   112.51180   -22.70886
    8     7 S   O2Z  _O11     8     1.26374   115.00196   -41.30668
    9     7 S   O2Z  _O12     9     1.26241   114.94937   137.80683
   10     5 S   CT   _CB1    10     1.53075   107.41977  -144.49424
   11    10 S   HC   HB11    11     1.09835   109.35123   -49.43315
   12    10 S   HC   HB12    12     1.09811   110.45373    67.17668
   13    10 S   CT   _CG1    13     1.53000   112.62194  -170.39109
   14    13 S   HC   HG11    14     1.09575   110.67526   -66.62523
   15    13 S   HC   HG12    15     1.09672   109.73450    52.60907
   16    13 S   C    _CD1    16     1.51807   112.16339   173.08312
   17    16 S   O    _OE1    17     1.22739   123.23219     9.44369
   18    16 S   N    _N2_    18     1.38636   111.69101  -170.55885
   19    18 S   H    _HN2    19     1.01571   119.01224     1.45185
   20    18 S   CT1  _CA2    20     1.46298   123.49827   177.24380
   21    20 S   HC   _HA2    21     1.09742   109.22166     6.43294
   22    20 S   C    _C2_    22     1.53685   108.98296  -108.97196
   23    22 S   O    _O2_    23     1.23053   122.31022  -151.32475
   24    20 S   CT   _CB2    32     1.53358   111.37046   128.30130
   25    24 S   HC   HB21    33     1.09587   109.95947    55.79689
   26    24 S   HC   HB22    34     1.09433   110.18703   175.07184
   27    22 S   N    _N3_    24     1.38349   113.89393    36.32127
   28    27 S   H    _HN3    25     1.01535   119.57581    -3.48549
   29    24 S   S    _SG2    35     1.82861   111.16963   -65.27273
   30    27 S   CT   _CA3    26     1.45271   123.25377   177.08819
   31    30 S   HC   HA31    27     1.09548   107.52905   -64.37039
   32    30 S   HC   HA32    28     1.09556   107.98292    52.08737
   33    29 S   CT   _C8_    36     1.82308    99.72020   165.17125
   34    33 S   HC   _H3_    37     1.09529   108.42120   -55.78185
   35    30 S   CO3  _C3_    29     1.52962   114.04221   174.07031
   36    35 S   O2Z  _O31    30     1.26384   116.07645    -0.52600
   37    35 S   O2Z  _O32    31     1.26425   114.42130   179.52978
   38    33 S   CM   _C4_    38     1.49917   111.75354    67.15123
   39    38 S   CT   _C7_    39     1.50735   120.52862    75.22227
   40    39 S   HC   _H14    40     1.09722   108.29019   147.12151
   41    39 S   HC   _H15    41     1.09581   109.20067   -96.25384
   42    38 S   CMA  _C6_    52     1.51830   119.94556  -114.96343
   43    42 S   OM   _O8_    53     1.26223   120.61609   -54.24940
   44    42 S   OM   _O9_    54     1.26177   120.45046   126.34672
   45    39 S   CT   _C10    42     1.53355   112.82947    27.80297
   46    45 S   HC   _H18    43     1.09627   109.95033   148.52000
   47    45 S   CT   _C9_    44     1.52831   111.74878    26.32592
   48    47 S   HC   _H17    45     1.09623   110.42888    59.49602
   49    45 S   OH   _O34    50     1.43072   110.01707   -95.39339
   50    49 S   HO   _H20    51     0.97213   107.56023   -56.56481
   51    33 S   CO4  _C5_    46     1.52592   108.62236  -171.09188
   52    51 S   O    _O10    47     1.23414   121.36447    66.97359
   53    47 S   OH   _O33    48     1.41861   109.75296   178.01870
   54    53 S   HO   _H19    49     0.97284   107.11902   177.00448
  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  12  13   6   5   4   1   1   9   6   7   5
   3   1   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    51    52    53    42    43    44  
   38    39    47    51    52    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    51    52    49    42    43    44  
   40    41    45    46    47    48    51    53    49    50    42    43    44  
   41    45    46    47    49    42  
   45    46    47    49    42  
   43    44    45    51  
   44  
    0  
   46    47    48    51    52    53    54    49    50  
   47    48    51    53    49    50  
   48    51    52    53    54    49    50  
   51    52    53    54    49  
   50    51    53  
    0  
   52    53    54  
   53  
   54  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   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
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    51   317.000  1.522
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    51   317.000  1.522
   47    53   320.000  1.410
   51    52   570.000  1.229
   53    54   553.000  0.945
   49    50   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  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    51    75.00000  110.18000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    51    47    70.00000  116.00000
   33    51    52    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    45    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   39    45    46    37.50000  110.70000
   39    45    47    58.35000  112.70000
   39    45    49    50.00000  109.50000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    51    63.00000  111.10000
   45    47    53    50.00000  109.50000
   45    49    50    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    51    52    80.00000  120.40000
   47    53    54    55.00000  108.50000
   51    33    34    35.00000  109.50000
   51    33    38    70.00000  109.06800
   51    47    48    35.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  109.61100
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   42    38    39    70.00000  124.00000
   44    42    43    65.00000  121.00000
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    51    47   0.65300  1.0 1.0
   29    33    51    47  -0.03850 -1.0 2.0
   29    33    51    47   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    51    47   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    47   0.65300  1.0 1.0
   38    33    51    47  -0.03850 -1.0 2.0
   38    33    51    47   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    39    45    46   0.15000  1.0 3.0
   38    39   -45    47   0.34400  1.0 1.0
   38    39   -45    47   0.09450 -1.0 2.0
   38    39   -45    47   0.11100  1.0 3.0
   38    39    45    49   1.05650  1.0 1.0
   38    39    45    49   0.15600 -1.0 2.0
   38    39    45    49   0.53150  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    51  -0.95700  1.0 1.0
   39    45    47    51  -0.18200 -1.0 2.0
   39    45    47    51   0.29450  1.0 3.0
   39    45    47    53   0.86500  1.0 1.0
   39    45    47    53  -0.17500 -1.0 2.0
   39    45    47    53   0.20800  1.0 3.0
   39    45    49    50  -0.11600  1.0 1.0
   39    45    49    50  -0.09450 -1.0 2.0
   39    45    49    50   0.21250  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    49   0.23400  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    49   0.23400  1.0 3.0
   45    47   -51    33   0.60050  1.0 1.0
   45    47   -51    33   0.05600 -1.0 2.0
   45    47   -51    33   0.26150  1.0 3.0
   45    47    51    52   0.30150 -1.0 2.0
   45    47    53    54  -0.11600  1.0 1.0
   45    47    53    54  -0.09450 -1.0 2.0
   45    47    53    54   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51  -0.11250  1.0 3.0
   46    45    47    53   0.23400  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50  -0.11600  1.0 1.0
   47    45    49    50  -0.09450 -1.0 2.0
   47    45    49    50   0.21250  1.0 3.0
   48    47    51    33   0.00000  1.0 1.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    53    54   0.19450  1.0 3.0
   51    33   -38    39   0.17250  1.0 1.0
   51    33   -38    39  -0.04100 -1.0 2.0
   51    33   -38    39  -0.33850  1.0 3.0
   51    33    38    42  -0.51250  1.0 1.0
   51    33    38    42  -0.88800 -1.0 2.0
   51    33    38    42   0.08850  1.0 3.0
   51    47    53    54   0.91850  1.0 1.0
   51    47    53    54   0.57950  1.0 3.0
   53    47    51    33   0.55300  1.0 1.0
   53    47    51    33   1.25850 -1.0 2.0
   53    47    51    33  -0.23600  1.0 3.0
   53    47    51    52   0.30150 -1.0 2.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    51  -0.09450  1.0 1.0
   49    45    47    51  -1.12950 -1.0 2.0
   49    45    47    51   0.54000  1.0 3.0
   49    45    47    53   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    45   0.09850  1.0 1.0
   42    38    39    45   0.15250 -1.0 2.0
   42    38    39    45  -0.50650  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
   33    39    38    42   1.10000 -1.0 2.0
   33    47    51    52  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
