* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     97    143     284
    1     0 S   NP   _N1_     1    28.75922    95.57949   -23.03156
    2     1 S   H    _HN1     2     1.02951    77.65807    12.97176
    3     1 S   H    _H1_     3     1.02829    33.95363   162.65010
    4     1 S   H    _H2_     4     1.02784   102.24126   -93.43192
    5     1 S   CT   _CA1     5     1.50104   138.82138   119.94772
    6     5 S   HC   _HA1     6     1.09573   105.21540    83.11427
    7     5 S   CO3  _C1_     7     1.53800   112.44997   -37.15009
    8     7 S   O2Z  _O11     8     1.26371   115.01224   -42.96719
    9     7 S   O2Z  _O12     9     1.26241   114.94820   136.22486
   10     5 S   CT   _CB1    10     1.53086   107.42834  -158.89275
   11    10 S   HC   HB11    11     1.09830   109.40925   -49.83992
   12    10 S   HC   HB12    12     1.09814   110.42892    66.77650
   13    10 S   CT   _CG1    13     1.52979   112.58348  -170.83140
   14    13 S   HC   HG11    14     1.09586   110.58747   -64.58333
   15    13 S   HC   HG12    15     1.09668   109.83112    54.63880
   16    13 S   C    _CD1    16     1.51794   112.29654   175.10271
   17    16 S   O    _OE1    17     1.22722   123.31340     4.48454
   18    16 S   N    _N2_    18     1.38650   111.61043  -175.59762
   19    18 S   H    _HN2    19     1.01579   118.92680     2.04105
   20    18 S   CT1  _CA2    20     1.46204   123.42840   178.17651
   21    20 S   HC   _HA2    21     1.09733   109.38072     1.46767
   22    20 S   C    _C2_    22     1.53528   108.55027  -114.05030
   23    22 S   O    _O2_    23     1.23053   122.31670  -147.59922
   24    20 S   CT   _CB2    32     1.53297   111.52747   123.48307
   25    24 S   HC   HB21    33     1.09600   110.12565    56.17692
   26    24 S   HC   HB22    34     1.09501   110.17395   175.27122
   27    22 S   N    _N3_    24     1.38340   113.66846    39.81905
   28    27 S   H    _HN3    25     1.01592   119.57595    -3.30725
   29    24 S   S    _SG2    35     1.82704   111.62059   -64.75436
   30    27 S   CT   _CA3    26     1.45285   123.18361   177.12404
   31    30 S   HC   HA31    27     1.09550   107.50840   -64.55497
   32    30 S   HC   HA32    28     1.09558   107.98276    51.87566
   33    29 S   CT   _C7_    36     1.83227    98.96007   173.94825
   34    33 S   HC   _H5_    37     1.09518   106.04495   -59.80931
   35    30 S   CO3  _C3_    29     1.52952   114.09925   173.87417
   36    35 S   O2Z  _O31    30     1.26373   116.07098    -0.71079
   37    35 S   O2Z  _O32    31     1.26429   114.41066   179.35048
   38    33 S   CT   _C8_    38     1.53324   110.20824  -178.08235
   39    38 S   HC   _H6_    39     1.09530   111.38731    61.56994
   40    38 S   CD   _C4_    40     1.51052   107.60395  -176.62762
   41    38 S   OH   _O34    53     1.42155   111.73543   -60.72808
   42    41 S   HO   _H9_    54     0.97273   107.61515   175.17940
   43    40 S   CT   _C5_    41     1.50648   117.02977    49.86137
   44    43 S   HC   _H7_    42     1.09645   106.67339    70.72603
   45    43 S   HC   _H8_    43     1.09460   110.85259  -171.85640
   46    40 S   NI   _N4_    51     1.29251   122.52285  -132.03719
   47    46 S   H    _H3_    52     1.02530   110.91414     0.90287
   48    43 S   CT   _C6_    44     1.52718   109.71729   -47.97907
   49    48 S   HC   _H4_    45     1.09656   107.70243   164.00151
   50    33 S   OS   _O33    46     1.43260   110.87283    58.60531
   51    48 S   CT   _C9_    47     1.52768   112.99472   -78.29326
   52    51 S   HC   _H10    48     1.09431   112.21729    55.92964
   53    51 S   HC   _H11    49     1.09473   110.69945   -64.34163
   54    51 S   HC   _H12    50     1.09509   110.41015   175.30310
  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
  12   6   2   1   1  11   6  11   4   1  11   6   5   2   1   6
   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    49    50    51    46    41    42  
   38    39    40    48    50    41  
   36    37  
   37  
    0  
   39    40    43    44    45    48    50    46    47    41    42  
   40    43    50    46    41    42  
   43    44    45    48    49    50    51    46    47    41    42  
   42    43    46    50  
    0  
   44    45    48    49    50    51    52    53    54    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48  
    0  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54  
   53    54  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.241100   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.083900   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   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   47   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    50   320.000  1.410
   38    39   340.000  1.090
   38    40   270.000  1.508
   38    41   320.000  1.410
   40    43   270.000  1.508
   40    46   500.000  1.261
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   320.000  1.410
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   434.000  1.010
   41    42   553.000  0.945
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    50    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  111.76100
   33    38    41    50.00000  109.50000
   33    50    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  114.98000
   38    40    46    65.00000  122.10100
   38    41    42    55.00000  108.50000
   40    38    39    45.00000  109.49600
   40    43    44    45.00000  109.49600
   40    43    45    45.00000  109.49600
   40    43    48    70.00000  111.76100
   40    46    47    35.00000  113.00000
   43    48    49    37.50000  110.70000
   43    48    50    50.00000  109.50000
   43    48    51    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   50    33    34    35.00000  109.50000
   50    33    38    50.00000  109.50000
   50    48    49    35.00000  109.50000
   51    48    49    37.50000  110.70000
   51    48    50    50.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    40    43    65.00000  122.10100
   41    38    39    35.00000  109.50000
   41    38    40   100.00000  111.90000
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    50   0.13850  1.0 1.0
   24    29    33    50  -1.34450 -1.0 2.0
   24    29    33    50   0.57400  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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    48   0.14700  1.0 1.0
   29    33    50    48  -1.16150 -1.0 2.0
   29    33    50    48   0.48700  1.0 3.0
   33    38    40    43   0.46850  1.0 1.0
   33    38    40    43   0.08550 -1.0 2.0
   33    38    40    43   0.09800  1.0 3.0
   33    38    40    46   0.00000  1.0 1.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   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    41   0.23400  1.0 3.0
   34    33    50    48   0.37050  1.0 3.0
   38    33    50    48   0.06250  1.0 1.0
   38    33    50    48  -0.01100 -1.0 2.0
   38    33    50    48   0.28050  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    48   0.46850  1.0 1.0
   38    40   -43    48   0.08550 -1.0 2.0
   38    40   -43    48   0.09800  1.0 3.0
   38    40    46    47   6.00000 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    50   0.61850  1.0 1.0
   40    43    48    50  -0.22750 -1.0 2.0
   40    43    48    50   0.15300  1.0 3.0
   40    43    48    51   0.34400  1.0 1.0
   40    43    48    51   0.09450 -1.0 2.0
   40    43    48    51   0.11100  1.0 3.0
   43    40    46    47   6.00000 -1.0 2.0
   43    48   -50    33   0.06250  1.0 1.0
   43    48   -50    33  -0.01100 -1.0 2.0
   43    48   -50    33   0.28050  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    53   0.15000  1.0 3.0
   43    48    51    54   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.23400  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.23400  1.0 3.0
   45    43    48    51   0.15000  1.0 3.0
   49    48    50    33   0.37050  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.23400  1.0 3.0
   50    33   -38    40   0.61850  1.0 1.0
   50    33   -38    40  -0.22750 -1.0 2.0
   50    33   -38    40   0.15300  1.0 3.0
   50    33    38    41   3.69350  1.0 1.0
   50    33    38    41  -1.82950 -1.0 2.0
   50    48    51    52   0.23400  1.0 3.0
   50    48    51    53   0.23400  1.0 3.0
   50    48    51    54   0.23400  1.0 3.0
   51    48    50    33   0.06250  1.0 1.0
   51    48    50    33  -0.01100 -1.0 2.0
   51    48    50    33   0.28050  1.0 3.0
   46    40    43    44   0.00000  1.0 1.0
   46    40    43    45   0.00000  1.0 1.0
   46    40    43    48   0.00000  1.0 1.0
   41    38    40    43   0.18000  1.0 1.0
   41    38    40    43   0.16450 -1.0 2.0
   41    38    40    43   0.04450  1.0 3.0
   41    38    40    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   38    43    40    46  10.50000 -1.0 2.0
END
