* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     98    153     296
    1     0 S   NP   _N1_     1    28.74760    95.37206   -24.13649
    2     1 S   H    _HN1     2     1.02828    31.83595  -179.61386
    3     1 S   H    _H1_     3     1.02785   110.46806   -88.44013
    4     1 S   H    _H2_     4     1.02949    76.44386    16.38687
    5     1 S   CT   _CA1     5     1.50116   131.28636   121.77603
    6     5 S   HC   _HA1     6     1.09573   105.19527    88.03353
    7     5 S   CO3  _C1_     7     1.53786   112.44433   -32.20035
    8     7 S   O2Z  _O11     8     1.26373   115.00534   -42.89959
    9     7 S   O2Z  _O12     9     1.26238   114.94485   136.21578
   10     5 S   CT   _CB1    10     1.53078   107.41618  -153.99273
   11    10 S   HC   HB11    11     1.09833   109.36920   -49.75079
   12    10 S   HC   HB12    12     1.09812   110.45107    66.85382
   13    10 S   CT   _CG1    13     1.52991   112.60800  -170.72752
   14    13 S   HC   HG11    14     1.09582   110.63140   -65.65720
   15    13 S   HC   HG12    15     1.09670   109.78683    53.57448
   16    13 S   C    _CD1    16     1.51803   112.21330   174.02401
   17    16 S   O    _OE1    17     1.22734   123.29084     7.04049
   18    16 S   N    _N2_    18     1.38659   111.68973  -173.07128
   19    18 S   H    _HN2    19     1.01584   118.93195     1.58930
   20    18 S   CT1  _CA2    20     1.46178   123.36065   177.39451
   21    20 S   HC   _HA2    21     1.09737   109.35894     2.38310
   22    20 S   C    _C2_    22     1.53554   108.64179  -113.09934
   23    22 S   O    _O2_    23     1.23062   122.24616  -148.11051
   24    20 S   CT   _CB2    32     1.53354   111.65122   124.38990
   25    24 S   HC   HB21    33     1.09583   110.07587    56.36051
   26    24 S   HC   HB22    34     1.09416   109.95920   175.38191
   27    22 S   N    _N3_    24     1.38313   113.71834    39.33346
   28    27 S   H    _HN3    25     1.01588   119.58617    -3.35030
   29    24 S   S    _SG2    35     1.82758   111.55783   -64.52314
   30    27 S   CT   _CA3    26     1.45290   123.22954   177.13508
   31    30 S   HC   HA31    27     1.09549   107.51400   -64.53808
   32    30 S   HC   HA32    28     1.09556   107.98274    51.90397
   33    29 S   CT   _C9_    36     1.84480    99.67714   174.78181
   34    33 S   HC   _H7_    37     1.09718   107.03469   -43.29242
   35    30 S   CO3  _C3_    29     1.52964   114.06844   173.90034
   36    35 S   O2Z  _O31    30     1.26378   116.05851    -0.56093
   37    35 S   O2Z  _O32    31     1.26427   114.41690   179.49876
   38    33 S   CT   _C8_    38     1.53682   109.17514  -160.84756
   39    38 S   HC   _H6_    39     1.09631   112.30388   -55.39605
   40    38 S   CO4  _C7_    40     1.52580   110.18605  -175.79742
   41    40 S   O    _O33    41     1.23210   121.66907  -134.35945
   42    38 S   OH   _O34    54     1.42220   109.62788    65.49640
   43    42 S   HO   _H8_    55     0.97311   107.48174   179.47288
   44    40 S   CT   _C6_    42     1.52251   116.66492    49.69140
   45    44 S   HC   _H5_    43     1.09532   109.19705    73.94907
   46    44 S   CT   _C5_    44     1.52793   110.36814   -49.07300
   47    46 S   HC   _H4_    45     1.09730   109.81543   -69.94082
   48    44 S   OH   _O35    52     1.42170   109.08856  -168.58862
   49    48 S   HO   _H9_    53     0.97295   107.37647   -59.50423
   50    33 S   CT   _C4_    46     1.53740   110.63845    76.50925
   51    50 S   HC   _H3_    47     1.09536   111.98957   -58.21512
   52    46 S   OH   _O36    50     1.42953   108.63009   173.52952
   53    52 S   HO   _H10    51     0.97220   107.72219  -179.27530
   54    50 S   OH   _O37    48     1.43033   110.26729    61.02423
   55    54 S   HO   _H11    49     0.97356   107.13886   -58.40467
  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
  15   8   2   1   1  12   6  11   5   3   1  10   6   9   6   3
   1   5   3   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    50    51    54    55    52    42    43  
   38    39    40    46    50    51    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    51    54    48    42    43  
   40    41    44    50    42    43  
   41    44    45    46    47    50    52    48    49    42    43  
   44    45    46    48    42  
   43    44    50  
    0  
   45    46    47    50    51    54    52    53    48    49  
   46    47    50    52    48    49  
   47    50    51    54    55    52    53    48    49  
   50    51    54    52    53    48  
   49    50    52  
    0  
   51    54    55    52    53  
   54    55    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    54   320.000  1.410
   54    55   553.000  0.945
   52    53   553.000  0.945
   48    49   553.000  0.945
   42    43   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    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    54    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    63.00000  111.10000
   40    44    48    90.00000  109.61100
   44    40    41    80.00000  120.40000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    52    50.00000  109.50000
   44    48    49    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    50.00000  109.50000
   46    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    55.00000  108.50000
   54    50    51    35.00000  109.50000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.61100
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   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   0.60050  1.0 1.0
   33    38    40    44   0.05600 -1.0 2.0
   33    38    40    44   0.26150  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    50    54    55  -0.11600  1.0 1.0
   33    50    54    55  -0.09450 -1.0 2.0
   33    50    54    55   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    54   0.23400  1.0 3.0
   38    33    50    46   0.56750  1.0 1.0
   38    33    50    46  -0.07550 -1.0 2.0
   38    33    50    46   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54   0.86500  1.0 1.0
   38    33    50    54  -0.17500 -1.0 2.0
   38    33    50    54   0.20800  1.0 3.0
   38    40    44    45   0.00000  1.0 1.0
   38    40   -44    46   0.60050  1.0 1.0
   38    40   -44    46   0.05600 -1.0 2.0
   38    40   -44    46   0.26150  1.0 3.0
   38    40    44    48   0.55300  1.0 1.0
   38    40    44    48   1.25850 -1.0 2.0
   38    40    44    48  -0.23600  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43   0.91850  1.0 1.0
   40    38    42    43   0.57950  1.0 3.0
   40    44    46    47  -0.11250  1.0 3.0
   40    44    46    50  -0.95700  1.0 1.0
   40    44    46    50  -0.18200 -1.0 2.0
   40    44    46    50   0.29450  1.0 3.0
   40    44    46    52  -0.09450  1.0 1.0
   40    44    46    52  -1.12950 -1.0 2.0
   40    44    46    52   0.54000  1.0 3.0
   40    44    48    49   0.91850  1.0 1.0
   40    44    48    49   0.57950  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.30150 -1.0 2.0
   41    40    44    48   0.30150 -1.0 2.0
   44    46   -50    33   0.56750  1.0 1.0
   44    46   -50    33  -0.07550 -1.0 2.0
   44    46   -50    33   0.20000  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.86500  1.0 1.0
   44    46    50    54  -0.17500 -1.0 2.0
   44    46    50    54   0.20800  1.0 3.0
   44    46    52    53  -0.11600  1.0 1.0
   44    46    52    53  -0.09450 -1.0 2.0
   44    46    52    53   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    52   0.23400  1.0 3.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49  -0.11600  1.0 1.0
   46    44    48    49  -0.09450 -1.0 2.0
   46    44    48    49   0.21250  1.0 3.0
   46    50    54    55  -0.11600  1.0 1.0
   46    50    54    55  -0.09450 -1.0 2.0
   46    50    54    55   0.21250  1.0 3.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.23400  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40  -0.95700  1.0 1.0
   50    33   -38    40  -0.18200 -1.0 2.0
   50    33   -38    40   0.29450  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   50    46    52    53  -0.11600  1.0 1.0
   50    46    52    53  -0.09450 -1.0 2.0
   50    46    52    53   0.21250  1.0 3.0
   51    50    54    55   0.19450  1.0 3.0
   52    46    50    33   0.86500  1.0 1.0
   52    46    50    33  -0.17500 -1.0 2.0
   52    46    50    33   0.20800  1.0 3.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    54   3.75450  1.0 1.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    50   0.86500  1.0 1.0
   48    44    46    50  -0.17500 -1.0 2.0
   48    44    46    50   0.20800  1.0 3.0
   48    44    46    52   3.75450  1.0 1.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.55300  1.0 1.0
   42    38    40    44   1.25850 -1.0 2.0
   42    38    40    44  -0.23600  1.0 3.0
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    44    40    41  10.50000 -1.0 2.0
END
