* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     96    151     288
    1     0 S   NP   _N1_     1    28.22584    96.97905   -21.89630
    2     1 S   H    _HN1     2     1.02945    33.72852   107.47164
    3     1 S   H    _H1_     3     1.02780   104.87550  -152.62525
    4     1 S   H    _H2_     4     1.02847    76.89054   -46.87594
    5     1 S   CT   _CA1     5     1.50560   136.34023    60.21312
    6     5 S   HC   _HA1     6     1.09686   104.56638    88.98522
    7     5 S   CO3  _C1_     7     1.54390   110.68013   -26.88555
    8     7 S   O2Z  _O11     8     1.26002   116.67771  -115.45255
    9     7 S   O2Z  _O12     9     1.26599   113.70666    62.80062
   10     5 S   CT   _CB1    10     1.53107   106.94326  -154.98299
   11    10 S   HC   HB11    11     1.09848   109.92125   -42.09636
   12    10 S   HC   HB12    12     1.09765   110.30931    74.55419
   13    10 S   CT   _CG1    13     1.53040   112.32216  -162.53569
   14    13 S   HC   HG11    14     1.09530   111.04236   -61.09952
   15    13 S   HC   HG12    15     1.09674   109.61928    57.93649
   16    13 S   C    _CD1    16     1.51843   112.00970   178.48070
   17    16 S   O    _OE1    17     1.22802   123.27906    12.00200
   18    16 S   N    _N2_    18     1.38404   111.90214  -168.58808
   19    18 S   H    _HN2    19     1.01990   119.16863    -0.52451
   20    18 S   CT1  _CA2    20     1.45845   122.95157  -177.79380
   21    20 S   HC   _HA2    21     1.09737   108.30967    36.44703
   22    20 S   C    _C2_    22     1.52999   107.75704   -81.10669
   23    22 S   O    _O2_    23     1.22973   123.21098   -27.07638
   24    20 S   CT   _CB2    32     1.53284   111.97756   159.28346
   25    24 S   HC   HB21    33     1.09370   109.40864    60.14217
   26    24 S   HC   HB22    34     1.09522   110.62366   178.36458
   27    22 S   N    _N3_    24     1.38559   112.50979   155.57357
   28    27 S   H    _HN3    25     1.01655   120.30544    -2.11369
   29    24 S   S    _SG2    35     1.82413   111.00078   -61.54778
   30    27 S   CT   _CA3    26     1.45347   122.42102   178.73035
   31    30 S   HC   HA31    27     1.09571   107.74550   -56.40243
   32    30 S   HC   HA32    28     1.09563   107.65461    59.90040
   33    29 S   CT   _C9_    36     1.83968   100.04210   162.98154
   34    33 S   HC   _H3_    37     1.09636   106.53570    49.66608
   35    30 S   CO3  _C3_    29     1.52872   114.39211  -178.37298
   36    35 S   O2Z  _O31    30     1.26327   116.09243    -2.90623
   37    35 S   O2Z  _O32    31     1.26441   114.40432   177.08731
   38    33 S   CM   _C6_    38     1.50778   107.40436   165.84495
   39    38 S   CM   _C4_    39     1.44215   119.73562    94.02232
   40    39 S   HC   _H16    40     1.08554   118.06801  -173.27530
   41    38 S   CMA  _C7_    53     1.51315   121.75346   -91.10698
   42    41 S   OM   _O9_    54     1.26355   120.46043   -62.71335
   43    41 S   OM   _O10    55     1.26359   120.97681   116.85747
   44    39 S   CM   _C5_    41     1.34072   122.26665     6.77019
   45    44 S   HC   _H17    42     1.08735   118.16743  -179.15884
   46    44 S   CT   _C11    43     1.51284   123.97212     2.17853
   47    33 S   CT   _C10    44     1.55250   114.73700   -71.02735
   48    47 S   HC   _H19    45     1.09362   111.09798    52.91825
   49    46 S   CO3  _C8_    48     1.55956   109.80347  -113.12085
   50    49 S   O2Z  _O33    49     1.26685   115.65415   -36.90844
   51    49 S   O2Z  _O34    50     1.26535   116.17896   146.87190
   52    46 S   OH   _O14    51     1.44088   107.86474   133.65167
   53    52 S   HO   _H21    52     0.97318   107.44144    61.71495
   54    47 S   OH   _O13    46     1.44497   107.77274   166.27129
   55    54 S   HO   _H20    47     0.97176   107.80505   -48.17622
  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   9   5   4   3
  15   7   2   1   1  11  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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    47    48    54    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    54    55    49    52    41    42    43  
   38    39    46    47    48    54    41  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    54    41    42    43  
   40    44    45    46    47    49    52    41    42    43  
   44    45    46    41  
   42    43    44    47  
   43  
    0  
   45    46    47    48    54    49    50    51    52    53  
   46    47    49    52  
   47    48    54    55    49    50    51    52    53  
   48    54    55    49    50    51    52    53  
   54    55    49    52  
   50    51    52    53    54  
   51    52  
   52  
   53    54  
    0  
   55  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   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    47   268.000  1.529
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   268.000  1.529
   46    49   317.000  1.522
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    54   320.000  1.410
   54    55   553.000  0.945
   49    50   656.000  1.250
   49    51   656.000  1.250
   52    53   553.000  0.945
   41    42   745.000  1.250
   41    43   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    47    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    35.00000  120.00000
   39    44    46    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    46    47    70.00000  112.02700
   44    46    49    65.00000  111.94000
   44    46    52    90.00000  110.39200
   46    44    45    35.00000  117.00000
   46    47    48    37.50000  110.70000
   46    47    54    50.00000  109.50000
   46    49    50    70.00000  117.00000
   46    49    51    70.00000  117.00000
   46    52    53    55.00000  108.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    54    55    55.00000  108.50000
   54    47    48    35.00000  109.50000
   49    46    47    70.00000  109.69300
   51    49    50    80.00000  126.00000
   52    46    47    50.00000  109.50000
   52    46    49    95.00000  109.52300
   41    38    39    70.00000  117.34000
   43    41    42    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    44  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    47    54    55  -0.11600  1.0 1.0
   33    47    54    55  -0.09450 -1.0 2.0
   33    47    54    55   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    47    46   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    54   0.23400  1.0 3.0
   38    33    47    46   0.34400  1.0 1.0
   38    33    47    46   0.09450 -1.0 2.0
   38    33    47    46   0.11100  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    54   1.05650  1.0 1.0
   38    33    47    54   0.15600 -1.0 2.0
   38    33    47    54   0.53150  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.09850  1.0 1.0
   39    44    46    47   0.15250 -1.0 2.0
   39    44    46    47  -0.50650  1.0 3.0
   39    44    46    49  -0.51250  1.0 1.0
   39    44    46    49  -0.88800 -1.0 2.0
   39    44    46    49   0.08850  1.0 3.0
   39    44    46    52   0.67800  1.0 1.0
   39    44    46    52   0.47050 -1.0 2.0
   39    44    46    52  -0.62500  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -47    33   0.34400  1.0 1.0
   44    46   -47    33   0.09450 -1.0 2.0
   44    46   -47    33   0.11100  1.0 3.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    54   1.05650  1.0 1.0
   44    46    47    54   0.15600 -1.0 2.0
   44    46    47    54   0.53150  1.0 3.0
   44    46    49    50   0.30150 -1.0 2.0
   44    46    49    51   0.30150 -1.0 2.0
   44    46    52    53  -0.07800  1.0 1.0
   44    46    52    53  -0.21500 -1.0 2.0
   44    46    52    53  -0.03150  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    49   0.00000  1.0 1.0
   45    44    46    52   0.00000  1.0 1.0
   46    47    54    55  -0.11600  1.0 1.0
   46    47    54    55  -0.09450 -1.0 2.0
   46    47    54    55   0.21250  1.0 3.0
   47    33   -38    39   0.98200  1.0 1.0
   47    33   -38    39  -0.11900 -1.0 2.0
   47    33   -38    39   0.24250  1.0 3.0
   47    33    38    41   0.09850  1.0 1.0
   47    33    38    41   0.15250 -1.0 2.0
   47    33    38    41  -0.50650  1.0 3.0
   47    46    49    50   0.41150 -1.0 2.0
   47    46    49    51   0.41150 -1.0 2.0
   47    46    52    53  -0.11600  1.0 1.0
   47    46    52    53  -0.09450 -1.0 2.0
   47    46    52    53   0.21250  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   49    46    47    33  -1.63150  1.0 1.0
   49    46    47    33  -0.43550 -1.0 2.0
   49    46    47    33   0.24500  1.0 3.0
   49    46    47    48  -0.11250  1.0 3.0
   49    46    47    54  -5.33000  1.0 1.0
   49    46    47    54  -0.54250 -1.0 2.0
   49    46    47    54  -0.07300  1.0 3.0
   49    46    52    53   0.91850  1.0 1.0
   49    46    52    53   0.57950  1.0 3.0
   52    46    47    33   0.86500  1.0 1.0
   52    46    47    33  -0.17500 -1.0 2.0
   52    46    47    33   0.20800  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    54   3.75450  1.0 1.0
   52    46    49    50   0.30150 -1.0 2.0
   52    46    49    51   0.30150 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    44   0.28850  1.0 1.0
   41    38    39    44   2.61350 -1.0 2.0
   41    38    39    44   0.78400  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    41   1.10000 -1.0 2.0
   38    40    39    44   1.10000 -1.0 2.0
   46    45    44    39   1.10000 -1.0 2.0
   50    46    49    51  10.50000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
