* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    104    153     304
    1     0 S   NP   _N1_     1    28.92240    93.86699   -20.23202
    2     1 S   H    _HN1     2     1.02954   100.13763    30.62776
    3     1 S   H    _H1_     3     1.02845    30.07741   137.34462
    4     1 S   H    _H2_     4     1.02784    82.98549   -76.77441
    5     1 S   CT   _CA1     5     1.50112   138.05170   167.61703
    6     5 S   HC   _HA1     6     1.09568   105.29779    43.81256
    7     5 S   CO3  _C1_     7     1.53920   112.04880   -76.52853
    8     7 S   O2Z  _O11     8     1.26401   115.05701   -50.20070
    9     7 S   O2Z  _O12     9     1.26231   114.88402   128.82260
   10     5 S   CT   _CB1    10     1.53084   107.42899   161.75562
   11    10 S   HC   HB11    11     1.09822   109.68719   -48.97900
   12    10 S   HC   HB12    12     1.09820   110.28026    67.56630
   13    10 S   CT   _CG1    13     1.53055   112.58660  -169.97826
   14    13 S   HC   HG11    14     1.09519   110.52156   -54.48271
   15    13 S   HC   HG12    15     1.09614   110.15866    64.48974
   16    13 S   C    _CD1    16     1.51830   111.80071  -175.45412
   17    16 S   O    _OE1    17     1.22762   123.01057   -17.20251
   18    16 S   N    _N2_    18     1.38555   111.94364   163.54230
   19    18 S   H    _HN2    19     1.01590   119.03505     1.22109
   20    18 S   CT1  _CA2    20     1.46262   123.40148  -177.68963
   21    20 S   HC   _HA2    21     1.09729   109.39812   -14.24526
   22    20 S   C    _C2_    22     1.53376   108.25123  -130.01219
   23    22 S   O    _O2_    23     1.23007   122.27175  -145.14766
   24    20 S   CT   _CB2    32     1.53482   111.27871   107.86131
   25    24 S   HC   HB21    33     1.09426   109.58179    55.92815
   26    24 S   HC   HB22    34     1.09519   110.63260   174.12310
   27    22 S   N    _N3_    24     1.38518   113.32601    42.18092
   28    27 S   H    _HN3    25     1.01529   118.92441    -0.52227
   29    24 S   S    _SG2    35     1.82849   111.71134   -66.71893
   30    27 S   CT   _CA3    26     1.45441   123.38761   175.09711
   31    30 S   HC   HA31    27     1.09527   109.16459    25.77412
   32    30 S   HC   HA32    28     1.09493   107.14106   142.77167
   33    29 S   CT   _C9_    36     1.83204   100.20502   151.11411
   34    33 S   HC   _H4_    37     1.09553   105.37728    46.17243
   35    30 S   CO3  _C3_    29     1.52930   113.16511   -97.64763
   36    35 S   O2Z  _O31    30     1.26398   115.43092   -43.86579
   37    35 S   O2Z  _O32    31     1.26358   114.96387   137.07180
   38    33 S   CT   _C8_    38     1.53526   115.41479   -72.75351
   39    38 S   HC   _H8_    39     1.09632   111.42318    51.58199
   40    38 S   HC   _H9_    40     1.10022   106.25342   166.22128
   41    38 S   CT   _C7_    41     1.53780   115.02137   -75.27150
   42    41 S   CO4  _C6_    42     1.52918   108.84042   -45.54112
   43    42 S   O    _O33    43     1.23176   121.91251  -142.64548
   44    41 S   CT   _C10    51     1.53358   109.75674  -167.17729
   45    44 S   HC   _H10    52     1.09625   111.38381   -58.36477
   46    44 S   HC   _H11    53     1.09687   111.76708  -178.88285
   47    44 S   HC   _H12    54     1.09635   111.03755    61.87291
   48    41 S   NT   _N4_    55     1.46269   111.80228    73.27639
   49    48 S   H    _H13    56     1.01874   111.24015   -60.56698
   50    48 S   H    _H14    57     1.02118   110.87721  -179.88809
   51    42 S   CT   _C5_    44     1.52975   116.15192    42.06044
   52    51 S   HC   _H3_    45     1.09543   108.22966    74.41042
   53    33 S   OS   _O34    46     1.43406   112.80876   160.08256
   54    51 S   CT   _C4_    47     1.52349   111.30546  -166.87490
   55    54 S   HC   _H5_    48     1.09604   110.90512    60.52027
   56    54 S   HC   _H6_    49     1.09459   111.55240   -60.21973
   57    54 S   HC   _H7_    50     1.09538   110.53854   178.88724
  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  14   6   5  13  15   6   7   3   2   1   3
   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    51    52    53    54    44    48  
   38    39    40    41    51    53  
   36    37  
   37  
    0  
   39    40    41    42    43    51    53    44    45    46    47    48    49    50  
   40    41    42    53    44    48  
   41    42    53    44    48  
   42    43    51    52    53    54    44    45    46    47    48    49    50  
   43    51    52    53    54    55    56    57    44    45    46    47    48    49    50  
   51    52    53    54    44    48  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50  
    0  
   52    53    54    55    56    57  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    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  -0.231300   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.523200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.291300   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -1.020600   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   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    53   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.522
   41    44   268.000  1.529
   41    48   382.000  1.448
   42    43   570.000  1.229
   42    51   317.000  1.522
   51    52   340.000  1.090
   51    53   320.000  1.410
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   434.000  1.010
   48    50   434.000  1.010
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    53    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    63.00000  111.10000
   38    41    44    58.35000  112.70000
   38    41    48    56.20000  109.47000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    80.00000  120.40000
   41    42    51    70.00000  116.00000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    90.00000  108.74100
   42    51    54    63.00000  111.10000
   51    42    43    80.00000  120.40000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    33    34    35.00000  109.50000
   53    33    38    50.00000  109.50000
   53    51    52    35.00000  109.50000
   54    51    52    37.50000  110.70000
   54    51    53    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    41    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    75.00000  112.82000
   48    41    44    56.20000  109.47000
   50    48    49    43.60000  106.40000
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    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    51   0.14700  1.0 1.0
   29    33    53    51  -1.16150 -1.0 2.0
   29    33    53    51   0.48700  1.0 3.0
   33    38    41    42  -0.95700  1.0 1.0
   33    38    41    42  -0.18200 -1.0 2.0
   33    38    41    42   0.29450  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   1.85550  1.0 1.0
   33    38    41    48  -0.84100 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    51   0.37050  1.0 3.0
   38    33    53    51   0.06250  1.0 1.0
   38    33    53    51  -0.01100 -1.0 2.0
   38    33    53    51   0.28050  1.0 3.0
   38    41    42    43   0.30150 -1.0 2.0
   38    41   -42    51   0.60050  1.0 1.0
   38    41   -42    51   0.05600 -1.0 2.0
   38    41   -42    51   0.26150  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.05950  1.0 1.0
   38    41    48    49   0.08850 -1.0 2.0
   38    41    48    49   0.11750  1.0 3.0
   38    41    48    50  -0.05950  1.0 1.0
   38    41    48    50   0.08850 -1.0 2.0
   38    41    48    50   0.11750  1.0 3.0
   39    38    41    42  -0.11250  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   40    38    41    42  -0.11250  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.15000  1.0 3.0
   41    42    51    52   0.00000  1.0 1.0
   41    42    51    53   0.55300  1.0 1.0
   41    42    51    53   1.25850 -1.0 2.0
   41    42    51    53  -0.23600  1.0 3.0
   41    42    51    54   0.60050  1.0 1.0
   41    42    51    54   0.05600 -1.0 2.0
   41    42    51    54   0.26150  1.0 3.0
   42    41    44    45  -0.11250  1.0 3.0
   42    41    44    46  -0.11250  1.0 3.0
   42    41    44    47  -0.11250  1.0 3.0
   42    41    48    49   0.21900  1.0 1.0
   42    41    48    49  -0.24900 -1.0 2.0
   42    41    48    49   0.15200  1.0 3.0
   42    41    48    50   0.21900  1.0 1.0
   42    41    48    50  -0.24900 -1.0 2.0
   42    41    48    50   0.15200  1.0 3.0
   42    51   -53    33  -1.11000  1.0 1.0
   42    51   -53    33   0.50250 -1.0 2.0
   42    51   -53    33   0.47450  1.0 3.0
   42    51    54    55  -0.11250  1.0 3.0
   42    51    54    56  -0.11250  1.0 3.0
   42    51    54    57  -0.11250  1.0 3.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.30150 -1.0 2.0
   43    42    51    54   0.30150 -1.0 2.0
   52    51    53    33   0.37050  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    33    38    39   0.23400  1.0 3.0
   53    33    38    40   0.23400  1.0 3.0
   53    33   -38    41   0.62750  1.0 1.0
   53    33   -38    41  -0.30950 -1.0 2.0
   53    33   -38    41   0.27300  1.0 3.0
   53    51    54    55   0.23400  1.0 3.0
   53    51    54    56   0.23400  1.0 3.0
   53    51    54    57   0.23400  1.0 3.0
   54    51    53    33   0.06250  1.0 1.0
   54    51    53    33  -0.01100 -1.0 2.0
   54    51    53    33   0.28050  1.0 3.0
   44    41    42    43   0.30150 -1.0 2.0
   44    41    42    51   0.60050  1.0 1.0
   44    41    42    51   0.05600 -1.0 2.0
   44    41    42    51   0.26150  1.0 3.0
   44    41    48    49  -0.05950  1.0 1.0
   44    41    48    49   0.08850 -1.0 2.0
   44    41    48    49   0.11750  1.0 3.0
   44    41    48    50  -0.05950  1.0 1.0
   44    41    48    50   0.08850 -1.0 2.0
   44    41    48    50   0.11750  1.0 3.0
   48    41    42    43   0.30150 -1.0 2.0
   48    41    42    51  -0.05600  1.0 1.0
   48    41    42    51   0.24350 -1.0 2.0
   48    41    42    51   1.01150  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  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
   41    51    42    43  10.50000 -1.0 2.0
END
