* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    109    161     320
    1     0 S   NP   _N1_     1    29.01802    93.07825   -20.43520
    2     1 S   H    _HN1     2     1.02700    19.20463   153.02502
    3     1 S   H    _H1_     3     1.03457    90.51375   -52.85988
    4     1 S   H    _H2_     4     1.03056   105.49216    54.25921
    5     1 S   CT   _CA1     5     1.49738   128.11026  -172.33033
    6     5 S   HC   _HA1     6     1.09585   105.26098    47.25007
    7     5 S   CO3  _C1_     7     1.53813   112.27487   -72.72035
    8     7 S   O2Z  _O11     8     1.26349   115.21319   -48.05916
    9     7 S   O2Z  _O12     9     1.26298   114.88511   131.22224
   10     5 S   CT   _CB1    10     1.53132   107.48937   164.83655
   11    10 S   HC   HB11    11     1.09788   109.21335   -53.26315
   12    10 S   HC   HB12    12     1.09834   110.50173    63.10625
   13    10 S   CT   _CG1    13     1.53080   112.70051  -174.62750
   14    13 S   HC   HG11    14     1.09534   110.05005   -61.07743
   15    13 S   HC   HG12    15     1.09596   110.49396    57.84774
   16    13 S   C    _CD1    16     1.51760   111.39674   177.29745
   17    16 S   O    _OE1    17     1.22813   122.61397   -35.43424
   18    16 S   N    _N2_    18     1.38587   112.50599   145.82310
   19    18 S   H    _HN2    19     1.01562   119.40014     1.19583
   20    18 S   CT1  _CA2    20     1.46108   122.99742  -176.88134
   21    20 S   HC   _HA2    21     1.09572   109.04934   -17.73628
   22    20 S   C    _C2_    22     1.53387   108.68112  -133.09363
   23    22 S   O    _O2_    23     1.23022   122.18442  -147.36291
   24    20 S   CT   _CB2    32     1.53607   111.71749   104.58784
   25    24 S   HC   HB21    33     1.09659   109.46503    62.11130
   26    24 S   HC   HB22    34     1.09568   111.01516   179.47923
   27    22 S   N    _N3_    24     1.38502   113.40199    40.13045
   28    27 S   H    _HN3    25     1.01542   118.90058    -0.51320
   29    24 S   S    _SG2    35     1.82861   114.51052   -57.38937
   30    27 S   CT   _CA3    26     1.45437   123.35557   175.18985
   31    30 S   HC   HA31    27     1.09531   109.10865    26.68921
   32    30 S   HC   HA32    28     1.09493   107.15024   143.66169
   33    29 S   CT   _C9_    36     1.83231    99.77818   -74.04210
   34    33 S   HC   _H8_    37     1.09471   107.06641   -71.07928
   35    33 S   HC   _H9_    38     1.09274   108.37969    47.01674
   36    30 S   CO3  _C3_    29     1.52928   113.21898   -96.70758
   37    36 S   O2Z  _O31    30     1.26393   115.44596   -43.87188
   38    36 S   O2Z  _O32    31     1.26362   114.95715   137.08780
   39    33 S   CO   _C8_    39     1.53701   111.70217   168.13798
   40    39 S   CT   _C7_    40     1.54035   113.17656   174.47547
   41    40 S   HC   _H5_    41     1.09534   111.91960   -89.59992
   42    39 S   OH   _O34    60     1.43045   110.59210    54.37782
   43    42 S   HO   _H10    61     0.97277   106.82701   -40.32933
   44    40 S   CT   _C6_    42     1.51803   102.32813   148.95479
   45    44 S   HC   _H4_    43     1.09461   114.00320  -156.60038
   46    40 S   OH   _O35    58     1.42446   111.46204    32.46031
   47    46 S   HO   _H11    59     0.97265   107.59026   177.90314
   48    44 S   CT   _C5_    44     1.52445   101.56379   -37.03701
   49    48 S   HC   _H3_    45     1.09751   110.01461   -80.04998
   50    44 S   OH   _O36    56     1.42219   110.62658    80.85627
   51    50 S   HO   _H12    57     0.97231   107.68420    62.00351
   52    39 S   OS   _O33    46     1.44139   109.93797   -67.16101
   53    48 S   CT   _C4_    47     1.52185   114.93759   155.04914
   54    53 S   HC   _H6_    48     1.09441   110.47059    47.98510
   55    53 S   HC   _H7_    49     1.09456   111.16307   -74.06790
   56    53 S   OS   _O37    50     1.42557   108.64678   166.36874
   57    56 S   P2   _P1_    51     1.63079   119.04539   173.99737
   58    57 S   O2Z  _O40    52     1.51095   110.06180    37.67698
   59    57 S   O2Z  _O38    53     1.51271   108.75344   172.21117
   60    57 S   OS   _O39    54     1.63171    99.22207   -75.38581
   61    60 S   HO   _H13    55     0.97938   116.28854    81.30060
  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   7   5   4   3
  11   5   4   2   1   1  13  13   8   5   1  12   7   4   1   9
   6   3   1   4   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    52    46    42    43  
   35    39    40    52    42  
   39    40    52    42  
   37    38  
   38  
    0  
   40    41    44    45    48    49    52    53    50    46    47    42    43  
   41    44    45    48    49    52    53    50    51    46    47    42    43  
   44    45    48    52    50    46    47    42  
   43    44    46    48    52  
   52  
   45    48    49    52    53    54    55    56    50    51    46    47  
   48    49    52    53    50    51    46  
   47    48    50    52  
    0  
   49    52    53    54    55    56    57    50    51  
   52    53    54    55    56    50  
   51    52    53  
    0  
   53    54    55    56  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.582700   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   250.000  1.527
   39    40   250.000  1.527
   39    52   320.000  1.380
   39    42   380.000  1.407
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   320.000  1.410
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   320.000  1.410
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   50    51   553.000  0.945
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    65.00000  112.71400
   33    39    52    90.00000  108.56700
   33    39    42    90.00000  110.19100
   35    33    34    33.00000  107.80000
   39    33    34    45.00000  108.72000
   39    33    35    45.00000  108.72000
   39    40    41    45.00000  108.72000
   39    40    44    75.00000  109.43000
   39    40    46    90.00000  111.58700
   39    52    48    60.00000  109.50000
   39    42    43    70.00000  107.92000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   44    48    53    58.35000  112.70000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    50.00000  109.50000
   52    39    40    90.00000  108.56700
   52    48    49    35.00000  109.50000
   53    48    49    37.50000  110.70000
   53    48    52    50.00000  109.50000
   53    56    57   100.00000  120.50000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    39    40    90.00000  110.19100
   42    39    52   110.00000  112.08000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.86500  1.0 1.0
   33    39    40    46  -0.17500 -1.0 2.0
   33    39    40    46   0.20800  1.0 3.0
   33    39    52    48   0.06250  1.0 1.0
   33    39    52    48  -0.01100 -1.0 2.0
   33    39    52    48   0.28050  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    48   3.97050  1.0 1.0
   39    40    44    50   0.86500  1.0 1.0
   39    40    44    50  -0.17500 -1.0 2.0
   39    40    44    50   0.20800  1.0 3.0
   39    40    46    47  -0.11600  1.0 1.0
   39    40    46    47  -0.09450 -1.0 2.0
   39    40    46    47   0.21250  1.0 3.0
   40    39   -52    48   0.06250  1.0 1.0
   40    39   -52    48  -0.01100 -1.0 2.0
   40    39   -52    48   0.28050  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44   -48    52   0.62750  1.0 1.0
   40    44   -48    52  -0.30950 -1.0 2.0
   40    44   -48    52   0.27300  1.0 3.0
   40    44    48    53   0.56750  1.0 1.0
   40    44    48    53  -0.07550 -1.0 2.0
   40    44    48    53   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    39   0.06250  1.0 1.0
   44    48   -52    39  -0.01100 -1.0 2.0
   44    48   -52    39   0.28050  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   0.62750  1.0 1.0
   44    48    53    56  -0.30950 -1.0 2.0
   44    48    53    56   0.27300  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    53    56    57  -2.65550  1.0 1.0
   48    53    56    57  -0.22350 -1.0 2.0
   48    53    56    57   0.24150  1.0 3.0
   49    48    52    39   0.37050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.23400  1.0 3.0
   52    39    40    41   0.23400  1.0 3.0
   52    39   -40    44   0.62750  1.0 1.0
   52    39   -40    44  -0.30950 -1.0 2.0
   52    39   -40    44   0.27300  1.0 3.0
   52    39    40    46   3.69350  1.0 1.0
   52    39    40    46  -1.82950 -1.0 2.0
   52    39    42    43  -0.50000  1.0 1.0
   52    39    42    43  -0.73950 -1.0 2.0
   52    39    42    43   0.17150  1.0 3.0
   52    48    53    54   0.23400  1.0 3.0
   52    48    53    55   0.23400  1.0 3.0
   52    48    53    56   1.11900  1.0 1.0
   52    48    53    56  -1.16350 -1.0 2.0
   52    48    53    56  -0.34150  1.0 3.0
   53    48    52    39   0.06250  1.0 1.0
   53    48    52    39  -0.01100 -1.0 2.0
   53    48    52    39   0.28050  1.0 3.0
   53    56    57    58   0.00000  1.0 1.0
   53    56    57    59   0.00000  1.0 1.0
   53    56    57    60   0.05050  1.0 1.0
   53    56    57    60  -1.30700 -1.0 2.0
   53    56    57    60   0.91550  1.0 3.0
   54    53    56    57   0.03000  1.0 3.0
   55    53    56    57   0.03000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   3.69350  1.0 1.0
   50    44    48    52  -1.82950 -1.0 2.0
   50    44    48    53   0.86500  1.0 1.0
   50    44    48    53  -0.17500 -1.0 2.0
   50    44    48    53   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.75450  1.0 1.0
   42    39    52    48  -0.70900  1.0 1.0
   42    39    52    48  -1.18000 -1.0 2.0
   42    39    52    48   0.91650  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
   37    30    36    38  10.50000 -1.0 2.0
END
