* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    108    158     315
    1     0 S   NP   _N1_     1    30.06107    89.50626   -22.39454
    2     1 S   H    _HN1     2     1.02693    88.89285   -91.63065
    3     1 S   H    _H1_     3     1.03941   121.03525    17.65106
    4     1 S   H    _H2_     4     1.02812    20.73912    66.35042
    5     1 S   CT   _CA1     5     1.50350   113.32952   154.09367
    6     5 S   HC   _HA1     6     1.09710   104.83322    40.19896
    7     5 S   CO3  _C1_     7     1.54443   110.80182   -75.93760
    8     7 S   O2Z  _O11     8     1.26126   116.65173  -103.11121
    9     7 S   O2Z  _O12     9     1.26568   113.87910    76.06653
   10     5 S   CT   _CB1    10     1.53077   106.85276   155.42202
   11    10 S   HC   HB11    11     1.09866   109.39043   -53.36001
   12    10 S   HC   HB12    12     1.09549   109.79274    62.01942
   13    10 S   CT   _CG1    13     1.53313   113.38741  -174.34151
   14    13 S   HC   HG11    14     1.09439   110.99159   -51.11535
   15    13 S   HC   HG12    15     1.09599   110.10043    67.85187
   16    13 S   C    _CD1    16     1.51957   111.60975  -172.29668
   17    16 S   O    _OE1    17     1.22835   122.74742   -23.61622
   18    16 S   N    _N2_    18     1.38829   112.57239   157.70338
   19    18 S   H    _HN2    19     1.01544   119.18894     3.44526
   20    18 S   CT1  _CA2    20     1.46203   123.15308  -178.15496
   21    20 S   HC   _HA2    21     1.09619   109.10751     8.54259
   22    20 S   C    _C2_    22     1.53626   109.24050  -106.50417
   23    22 S   O    _O2_    23     1.23082   122.03430  -143.69806
   24    20 S   CT   _CB2    32     1.53834   112.54955   130.42370
   25    24 S   HC   HB21    33     1.09671   109.41430    71.73175
   26    24 S   HC   HB22    34     1.09608   110.01570  -171.84144
   27    22 S   N    _N3_    24     1.38440   113.83526    43.70461
   28    27 S   H    _HN3    25     1.01453   119.18210     0.59742
   29    24 S   S    _SG2    35     1.83140   117.03130   -48.28496
   30    27 S   CT   _CA3    26     1.45451   123.17560   175.34083
   31    30 S   HC   HA31    27     1.09541   108.94809    29.86004
   32    30 S   HC   HA32    28     1.09488   107.17226   146.82176
   33    29 S   CT   _C9_    36     1.82879   100.88964   -55.21200
   34    33 S   HC   _H9_    37     1.09518   107.59487   -70.08127
   35    33 S   HC   _H10    38     1.09114   108.22161    46.68716
   36    30 S   CO3  _C3_    29     1.52959   113.39634   -93.41465
   37    36 S   O2Z  _O31    30     1.26382   115.55205   -41.07682
   38    36 S   O2Z  _O32    31     1.26382   114.88532   139.89125
   39    33 S   CT   _C7_    39     1.53872   113.43818   167.59484
   40    39 S   CT   _C6_    40     1.53326   111.26677  -162.58360
   41    40 S   HC   _H4_    41     1.09693   111.05442    36.63846
   42    39 S   OH   _O35    59     1.43330   108.66812    76.51023
   43    42 S   HO   _H11    60     0.97319   107.97566   176.13325
   44    40 S   CT   _C5_    42     1.52970   104.38151   155.16286
   45    44 S   HC   _H3_    43     1.09568   112.67020   104.62637
   46    40 S   OH   _O36    57     1.41882   112.93236   -84.25139
   47    46 S   HO   _H12    58     0.97213   107.65395    54.30322
   48    44 S   OS   _O33    44     1.44125   106.72255   -12.80985
   49    44 S   CT   _C4_    49     1.52925   111.11409  -131.47796
   50    49 S   HC   _H6_    50     1.09469   110.53890    61.35347
   51    49 S   HC   _H7_    51     1.09475   110.38514   -59.22507
   52    39 S   CO   _C8_    45     1.53036   117.05730   -47.18589
   53    52 S   HC   _H5_    46     1.09495   112.80053    83.51629
   54    49 S   OS   _O37    52     1.42373   109.81887  -178.66016
   55    52 S   OH   _O34    47     1.41480   110.93872   -40.00929
   56    55 S   HO   _H8_    48     0.97574   107.26833   169.16271
   57    54 S   P3   _P1_    53     1.65207   117.68604  -164.71263
   58    57 S   O2Z  _O39    54     1.52438   103.73546  -176.86263
   59    57 S   O2Z  _O40    55     1.52673   104.67951    63.33379
   60    57 S   O2Z  _O38    56     1.52517   104.56044   -56.87636
  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
  13   5   4   2   1   1  14  15   8   7   1  12   7   4   1   8
   8   3   2   3   2   4   1   1   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    53    55    46    42    43  
   35    39    40    52    42  
   39    40    52    42  
   37    38  
   38  
    0  
   40    41    44    45    48    52    53    55    56    49    46    47    42    43  
   41    44    45    48    52    53    55    49    50    51    54    46    47    42    43  
   44    45    48    52    49    46    47    42  
   43    44    46    48    52    53    55  
   52  
   45    48    52    53    55    49    50    51    54    57    46    47  
   48    52    49    50    51    54    46  
   47    48    49    52  
    0  
   52    53    55    56    49    50    51    54  
   50    51    54    57    58    59    60    52  
   51    54    57  
   54    57  
   53    55    56  
   55    56  
   57    58    59    60  
   56  
    0  
   58    59    60  
   59    60  
   60  
    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   0.265000   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  -0.683000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    40   268.000  1.529
   39    52   250.000  1.527
   39    42   320.000  1.410
   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   320.000  1.410
   44    49   268.000  1.529
   48    52   320.000  1.380
   52    53   340.000  1.090
   52    55   380.000  1.407
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   320.000  1.410
   54    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   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    58.35000  112.70000
   33    39    52    75.00000  109.43000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    52    48    90.00000  108.56700
   39    52    53    45.00000  112.01100
   39    52    55    90.00000  110.19100
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    58.35000  112.70000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    52    60.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    55   110.00000  112.08000
   52    39    40    75.00000  109.43000
   52    55    56    70.00000  107.92000
   55    52    53    60.00000  108.02500
   49    44    45    37.50000  110.70000
   49    44    48    50.00000  109.50000
   49    54    57    80.00000  112.68000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    57    58   100.00000  107.00000
   54    57    59   100.00000  107.00000
   54    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    39    40    50.00000  109.50000
   42    39    52    90.00000  111.58700
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   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  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   0.62750  1.0 1.0
   33    39    52    48  -0.30950 -1.0 2.0
   33    39    52    48   0.27300  1.0 3.0
   33    39    52    53   0.15000  1.0 3.0
   33    39    52    55   0.86500  1.0 1.0
   33    39    52    55  -0.17500 -1.0 2.0
   33    39    52    55   0.20800  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   0.15000  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   0.15000  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   0.62750  1.0 1.0
   39    40   -44    48  -0.30950 -1.0 2.0
   39    40   -44    48   0.27300  1.0 3.0
   39    40    44    49   0.56750  1.0 1.0
   39    40    44    49  -0.07550 -1.0 2.0
   39    40    44    49   0.20000  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
   39    52    55    56  -0.11600  1.0 1.0
   39    52    55    56  -0.09450 -1.0 2.0
   39    52    55    56   0.21250  1.0 3.0
   40    39   -52    48   0.62750  1.0 1.0
   40    39   -52    48  -0.30950 -1.0 2.0
   40    39   -52    48   0.27300  1.0 3.0
   40    39    52    53   0.15000  1.0 3.0
   40    39    52    55   0.86500  1.0 1.0
   40    39    52    55  -0.17500 -1.0 2.0
   40    39    52    55   0.20800  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    52   0.06250  1.0 1.0
   40    44   -48    52  -0.01100 -1.0 2.0
   40    44   -48    52   0.28050  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    54   0.62750  1.0 1.0
   40    44    49    54  -0.30950 -1.0 2.0
   40    44    49    54   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.15000  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    52    53   0.37050  1.0 3.0
   44    48    52    55  -0.70900  1.0 1.0
   44    48    52    55  -1.18000 -1.0 2.0
   44    48    52    55   0.91650  1.0 3.0
   44    49    54    57  -2.65550  1.0 1.0
   44    49    54    57  -0.22350 -1.0 2.0
   44    49    54    57   0.24150  1.0 3.0
   45    44    48    52   0.37050  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    54   0.23400  1.0 3.0
   48    44    49    50   0.23400  1.0 3.0
   48    44    49    51   0.23400  1.0 3.0
   48    44    49    54   1.11900  1.0 1.0
   48    44    49    54  -1.16350 -1.0 2.0
   48    44    49    54  -0.34150  1.0 3.0
   48    52    55    56  -0.50000  1.0 1.0
   48    52    55    56  -0.73950 -1.0 2.0
   48    52    55    56   0.17150  1.0 3.0
   52    39    40    41   0.15000  1.0 3.0
   52    39   -40    44   3.97050  1.0 1.0
   52    39    40    46   0.86500  1.0 1.0
   52    39    40    46  -0.17500 -1.0 2.0
   52    39    40    46   0.20800  1.0 3.0
   52    39    42    43  -0.11600  1.0 1.0
   52    39    42    43  -0.09450 -1.0 2.0
   52    39    42    43   0.21250  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   49    44    48    52   0.06250  1.0 1.0
   49    44    48    52  -0.01100 -1.0 2.0
   49    44    48    52   0.28050  1.0 3.0
   49    54    57    58   0.00000  1.0 1.0
   49    54    57    59   0.00000  1.0 1.0
   49    54    57    60   0.00000  1.0 1.0
   50    49    54    57   0.03000  1.0 3.0
   51    49    54    57   0.03000  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   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   3.69350  1.0 1.0
   42    39    52    48  -1.82950 -1.0 2.0
   42    39    52    53   0.23400  1.0 3.0
   42    39    52    55   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
END
