* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56    100    159     295
    1     0 S   NP   _N1_     1    28.80170    95.29995   -24.35932
    2     1 S   H    _HN1     2     1.02791   112.00211   -96.85508
    3     1 S   H    _H1_     3     1.02949    78.13994     8.35228
    4     1 S   H    _H2_     4     1.02828    29.69210   175.43825
    5     1 S   CT   _CA1     5     1.50115   128.87444   115.12895
    6     5 S   HC   _HA1     6     1.09572   105.18763    86.68164
    7     5 S   CO3  _C1_     7     1.53776   112.43376   -33.56701
    8     7 S   O2Z  _O11     8     1.26374   115.01285   -43.36813
    9     7 S   O2Z  _O12     9     1.26232   114.93951   135.70412
   10     5 S   CT   _CB1    10     1.53064   107.41126  -155.34027
   11    10 S   HC   HB11    11     1.09838   109.36974   -49.49157
   12    10 S   HC   HB12    12     1.09812   110.45780    67.10785
   13    10 S   CT   _CG1    13     1.53009   112.62256  -170.43567
   14    13 S   HC   HG11    14     1.09576   110.69425   -66.09782
   15    13 S   HC   HG12    15     1.09668   109.74513    53.15510
   16    13 S   C    _CD1    16     1.51804   112.07506   173.63736
   17    16 S   O    _OE1    17     1.22745   123.21428     9.70717
   18    16 S   N    _N2_    18     1.38632   111.77667  -170.37230
   19    18 S   H    _HN2    19     1.01582   119.01237     1.43749
   20    18 S   CT1  _CA2    20     1.46263   123.40946   177.37356
   21    20 S   HC   _HA2    21     1.09738   109.30121     6.24124
   22    20 S   C    _C2_    22     1.53646   108.80424  -109.27960
   23    22 S   O    _O2_    23     1.23073   122.27862  -148.88212
   24    20 S   CT   _CB2    32     1.53401   111.53733   128.20710
   25    24 S   HC   HB21    33     1.09513   109.60917    56.90287
   26    24 S   HC   HB22    34     1.09430   109.91839   175.77386
   27    22 S   N    _N3_    24     1.38329   113.83219    38.62438
   28    27 S   H    _HN3    25     1.01553   119.61243    -3.20106
   29    24 S   S    _SG2    35     1.83008   111.16541   -64.22362
   30    27 S   CT   _CA3    26     1.45284   123.25506   177.19530
   31    30 S   HC   HA31    27     1.09547   107.50846   -64.90425
   32    30 S   HC   HA32    28     1.09556   107.99845    51.54945
   33    29 S   CT   _C12    36     1.86022   100.79405   175.99171
   34    30 S   CO3  _C3_    29     1.52969   114.05491   173.56160
   35    34 S   O2Z  _O31    30     1.26380   116.07613    -0.21670
   36    34 S   O2Z  _O32    31     1.26425   114.41646   179.83929
   37    33 S   NT   _N4_    37     1.47686   112.24553   -54.57379
   38    37 S   H    _H3_    38     1.02331   107.63941   163.76891
   39    33 S   CM   _C8_    51     1.50297   107.95642    72.07185
   40    39 S   HC   _H8_    52     1.09040   115.94453   -77.27065
   41    37 S   CT1  _C4_    39     1.48956   105.66056   -81.19975
   42    41 S   HC   _H4_    40     1.09746   109.08028    92.40099
   43    41 S   CT   _C6_    41     1.53008   107.50159   -26.88632
   44    43 S   HC   _H5_    42     1.09458   113.41579  -113.11504
   45    43 S   HC   _H6_    43     1.09573   110.06718   124.74536
   46    41 S   CO3  _C5_    53     1.53826   106.78524  -149.40590
   47    46 S   O2Z  _O1_    54     1.26452   114.79509  -114.31982
   48    46 S   O2Z  _O33    55     1.26437   115.85212    65.53159
   49    33 S   CM   _C10    44     1.49400   107.96623  -166.89697
   50    49 S   CM   _C7_    45     1.33483   124.06864  -102.10556
   51    50 S   HC   _H7_    46     1.08300   122.59246  -177.35810
   52    50 S   CO4  _C11    47     1.48491   119.41848    -0.33455
   53    52 S   O    _O4_    48     1.23053   118.44589   166.05943
   54    52 S   CMA  _C9_    49     1.52479   118.56620   -16.88990
   55    54 S   OM   _O3_    50     1.26228   115.39865  -164.30488
  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   2   1   1  14   6   9   4   9   7   9   4   3   3   1   1
   5   5   3   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    43    49    50    54    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    49    50    51    52    54    55    39    40    46  
   35    36  
   36  
    0  
   38    41    42    43    44    45    49    50    54    39    40    46    47    48  
   41    42    43    49    39    46  
   40    41    43    49    50    52    53    54    55  
   49    52    54    55  
   42    43    44    45    49    50    46    47    48  
   43    44    45    49    46    47    48  
   44    45    49    50    51    52    46    47    48  
   45    49    50    46  
   49    50    46  
   47    48    49  
   48  
    0  
   50    51    52    53    54  
   51    52    53    54    55  
   52    53    54  
   53    54    55  
   54    55  
   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   0.367500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   38   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   382.000  1.448
   33    49   317.000  1.510
   33    39   317.000  1.510
   37    38   434.000  1.010
   37    41   305.000  1.457
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   549.000  1.340
   50    51   340.000  1.080
   50    52   320.000  1.462
   52    53   570.000  1.229
   52    54   270.000  1.476
   54    55   745.000  1.250
   54    39   465.000  1.376
   39    40   340.000  1.080
   46    47   656.000  1.250
   46    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    85.00000  109.00000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  109.50000
   33    37    41    51.80000  107.20000
   33    49    43    65.00000  117.92700
   33    49    50    70.00000  124.00000
   33    39    54    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    50.00000  109.55000
   37    41    43    80.00000  111.22000
   37    41    46    75.00000  111.54000
   41    37    38    50.00000  111.55300
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    49    70.00000  112.02700
   41    46    47    70.00000  117.00000
   41    46    48    70.00000  117.00000
   43    41    42    37.50000  110.70000
   43    49    50    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    33    37    75.00000  110.70900
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    52    65.00000  118.96000
   50    52    53    80.00000  123.72100
   50    52    54    65.00000  118.65900
   52    50    51    40.00000  117.72500
   52    54    55    85.00000  116.28000
   52    54    39    65.00000  114.61000
   54    52    53    80.00000  120.81000
   54    39    40    40.00000  120.50800
   39    33    37    75.00000  110.70900
   39    33    49    70.00000  110.12100
   39    54    55    65.00000  137.10300
   46    41    42    35.00000  109.50000
   46    41    43    63.00000  111.10000
   48    46    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    37    38  -0.05900  1.0 1.0
   29    33    37    38   0.08350 -1.0 2.0
   29    33    37    38   0.12500  1.0 3.0
   29    33    37    41   0.23200  1.0 1.0
   29    33    37    41   0.02100 -1.0 2.0
   29    33    37    41   0.24950  1.0 3.0
   29    33    49    43   0.30250  1.0 1.0
   29    33    49    43  -0.14950 -1.0 2.0
   29    33    49    43   0.36900  1.0 3.0
   29    33    49    50   0.42700  1.0 1.0
   29    33    49    50  -0.70350 -1.0 2.0
   29    33    49    50  -0.43150  1.0 3.0
   29    33    39    54   0.42700  1.0 1.0
   29    33    39    54  -0.70350 -1.0 2.0
   29    33    39    54  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   0.28000  1.0 3.0
   33    37   -41    43   0.23450  1.0 1.0
   33    37   -41    43   0.02050 -1.0 2.0
   33    37   -41    43   0.25250  1.0 3.0
   33    37    41    46  -1.76800  1.0 1.0
   33    37    41    46   1.02600 -1.0 2.0
   33    37    41    46   0.19700  1.0 3.0
   33    49    50    51   7.00000 -1.0 2.0
   33    49    50    52   7.00000 -1.0 2.0
   37    33   -49    43   0.52100  1.0 1.0
   37    33   -49    43  -0.20350 -1.0 2.0
   37    33   -49    43   0.29750  1.0 3.0
   37    33    49    50   0.90200  1.0 1.0
   37    33    49    50   0.57900 -1.0 2.0
   37    33    49    50  -0.62100  1.0 3.0
   37    33    39    54   0.90200  1.0 1.0
   37    33    39    54   0.57900 -1.0 2.0
   37    33    39    54  -0.62100  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    43    44   0.15000  1.0 3.0
   37    41    43    45   0.15000  1.0 3.0
   37    41   -43    49   0.59950  1.0 1.0
   37    41   -43    49  -0.21400 -1.0 2.0
   37    41   -43    49   0.56200  1.0 3.0
   37    41    46    47   0.30150 -1.0 2.0
   37    41    46    48   0.30150 -1.0 2.0
   38    37    41    42   0.20000  1.0 3.0
   38    37    41    43  -0.15950  1.0 1.0
   38    37    41    43   0.34650 -1.0 2.0
   38    37    41    43   0.05750  1.0 3.0
   38    37    41    46   0.21900  1.0 1.0
   38    37    41    46  -0.24900 -1.0 2.0
   38    37    41    46   0.15200  1.0 3.0
   41    43   -49    33   0.46850  1.0 1.0
   41    43   -49    33   0.08550 -1.0 2.0
   41    43   -49    33   0.09800  1.0 3.0
   41    43    49    50   0.09850  1.0 1.0
   41    43    49    50   0.15250 -1.0 2.0
   41    43    49    50  -0.50650  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    48   0.00000  1.0 1.0
   43    49    50    51   7.00000 -1.0 2.0
   43    49    50    52   7.00000 -1.0 2.0
   44    43    49    33   0.34800  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   45    43    49    33   0.34800  1.0 3.0
   45    43    49    50   0.00000  1.0 1.0
   49    33    37    38   0.12450  1.0 1.0
   49    33    37    38  -0.40750 -1.0 2.0
   49    33    37    38   0.30300  1.0 3.0
   49    33   -37    41  -0.60800  1.0 1.0
   49    33   -37    41   1.10050 -1.0 2.0
   49    33   -37    41   0.47000  1.0 3.0
   49    33    39    54  -0.28300  1.0 1.0
   49    33    39    54   0.26700 -1.0 2.0
   49    33    39    54  -0.63300  1.0 3.0
   49    33    39    40   0.00000  1.0 1.0
   49    50    52    53   1.00000 -1.0 2.0
   49    50   -52    54  -1.18350  1.0 1.0
   49    50   -52    54   1.45950 -1.0 2.0
   50    52    54    55   1.50000 -1.0 2.0
   50    52    54    39  -1.18350  1.0 1.0
   50    52    54    39   1.45950 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.93700 -1.0 2.0
   52    54   -39    33   7.00000 -1.0 2.0
   52    54    39    40   7.00000 -1.0 2.0
   53    52    54    55  -0.11900  1.0 1.0
   53    52    54    55   0.76850 -1.0 2.0
   53    52    54    55   0.14100  1.0 3.0
   53    52    54    39   1.00000 -1.0 2.0
   55    54    39    33   7.00000 -1.0 2.0
   55    54    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.12450  1.0 1.0
   39    33    37    38  -0.40750 -1.0 2.0
   39    33    37    38   0.30300  1.0 3.0
   39    33    37    41  -0.60800  1.0 1.0
   39    33    37    41   1.10050 -1.0 2.0
   39    33    37    41   0.47000  1.0 3.0
   39    33    49    43   0.09700  1.0 1.0
   39    33    49    43   0.15600 -1.0 2.0
   39    33    49    43  -0.50800  1.0 3.0
   39    33   -49    50  -0.28300  1.0 1.0
   39    33   -49    50   0.26700 -1.0 2.0
   39    33   -49    50  -0.63300  1.0 3.0
   46    41    43    44  -0.03800  1.0 3.0
   46    41    43    45  -0.03800  1.0 3.0
   46    41    43    49  -0.98800  1.0 1.0
   46    41    43    49   0.48800 -1.0 2.0
   46    41    43    49   0.76800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    43    49    50   1.10000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   52    55    54    39   1.10000 -1.0 2.0
   33    40    39    54   1.10000 -1.0 2.0
   47    41    46    48  10.50000 -1.0 2.0
END
