* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    232     439
    1     0 S   NP   _N1_     1    28.71731    96.12823   -24.52397
    2     1 S   H    _HN1     2     1.02782   111.85137   -86.20983
    3     1 S   H    _H1_     3     1.02950    70.84720    16.51921
    4     1 S   H    _H2_     4     1.02825    37.21831  -177.34642
    5     1 S   CT   _CA1     5     1.50123   132.47510   116.99442
    6     5 S   HC   _HA1     6     1.09574   105.17667    95.30072
    7     5 S   CO3  _C1_     7     1.53781   112.49807   -24.88097
    8     7 S   O2Z  _O11     8     1.26371   114.99611   -41.33712
    9     7 S   O2Z  _O12     9     1.26243   114.94844   137.76491
   10     5 S   CT   _CB1    10     1.53080   107.41361  -146.73430
   11    10 S   HC   HB11    11     1.09834   109.31599   -49.81417
   12    10 S   HC   HB12    12     1.09812   110.46069    66.78160
   13    10 S   CT   _CG1    13     1.52991   112.63474  -170.81008
   14    13 S   HC   HG11    14     1.09582   110.62411   -66.64422
   15    13 S   HC   HG12    15     1.09674   109.77563    52.58327
   16    13 S   C    _CD1    16     1.51810   112.24035   172.99532
   17    16 S   O    _OE1    17     1.22729   123.29426     7.32065
   18    16 S   N    _N2_    18     1.38660   111.66317  -172.67094
   19    18 S   H    _HN2    19     1.01576   118.89957     1.58239
   20    18 S   CT1  _CA2    20     1.46201   123.40864   177.03813
   21    20 S   HC   _HA2    21     1.09735   109.38743     3.21838
   22    20 S   C    _C2_    22     1.53575   108.55938  -112.25765
   23    22 S   O    _O2_    23     1.23061   122.28340  -147.55420
   24    20 S   CT   _CB2    32     1.53347   111.58401   125.31452
   25    24 S   HC   HB21    33     1.09576   110.02204    55.79957
   26    24 S   HC   HB22    34     1.09427   109.93385   174.88151
   27    22 S   N    _N3_    24     1.38327   113.71786    39.86300
   28    27 S   H    _HN3    25     1.01580   119.59798    -3.25293
   29    24 S   S    _SG2    35     1.82791   111.47410   -65.30530
   30    27 S   CT   _CA3    26     1.45287   123.21707   177.16710
   31    30 S   HC   HA31    27     1.09549   107.50414   -64.70345
   32    30 S   HC   HA32    28     1.09556   107.99254    51.73715
   33    29 S   CT   _C12    36     1.84591   100.03928   168.47757
   34    33 S   HC   _H4_    37     1.09768   106.79911   -46.33051
   35    30 S   CO3  _C3_    29     1.52962   114.07754   173.73418
   36    35 S   O2Z  _O31    30     1.26377   116.06913    -0.83251
   37    35 S   O2Z  _O32    31     1.26429   114.41043   179.22848
   38    33 S   CT   _C11    38     1.53451   109.76823    71.29884
   39    38 S   HC   _H16    39     1.09547   110.63176    51.68093
   40    38 S   HC   _H17    40     1.09353   108.46781   -64.52541
   41    38 S   CT   _C10    41     1.54265   111.51042   175.00080
   42    41 S   HC   _H3_    42     1.10321   105.19726    53.02262
   43    41 S   CT   _C5_    43     1.57157   110.73483   -59.57407
   44    43 S   CT   _C6_    44     1.55189   108.84493   178.96203
   45    44 S   HC   _H10    45     1.09826   109.47589   -69.18413
   46    44 S   HC   _H11    46     1.09676   110.60376   174.00312
   47    43 S   CT   _C14    62     1.57295   106.81900    60.59177
   48    47 S   HC   _H6_    63     1.10055   108.46778    62.37912
   49    43 S   CT   _C4_    72     1.54969   113.87650   -59.75466
   50    49 S   HC   _H7_    73     1.09274   112.88376    57.41130
   51    49 S   HC   _H8_    74     1.08829   113.04014   -64.63732
   52    49 S   HC   _H9_    75     1.09588   111.09045   177.33288
   53    44 S   CT   _C7_    47     1.52525   113.65378    52.10590
   54    53 S   HC   _H12    48     1.09452   110.85039    65.96319
   55    53 S   HC   _H13    49     1.09676   108.88916  -177.73678
   56    33 S   CT   _C13    64     1.54378   109.59152  -163.68946
   57    56 S   HC   _H5_    65     1.09765   110.50848   -47.88518
   58    47 S   CO4  _C15    69     1.52853   111.45241   176.88015
   59    58 S   O    _O33    70     1.22645   124.79788   105.01644
   60    58 S   HC   _H18    71     1.10380   115.15089   -73.85097
   61    53 S   CT   _C8_    50     1.52171   111.38460   -57.59028
   62    61 S   HC   _H14    51     1.09758   109.04676   180.00000
   63    61 S   HC   _H15    52     1.09885   107.90209   -65.33193
   64    56 S   CO4  _C16    66     1.52389   108.33815    69.71970
   65    64 S   O    _O34    67     1.22706   123.50300  -118.46984
   66    64 S   HC   _H19    68     1.10430   115.93529    61.38293
   67    41 S   CT   _C9_    53     1.57358   114.15470   166.08003
   68    67 S   CT   _C17    54     1.55325   109.62549   -64.90577
   69    68 S   HC   _H20    55     1.09445   112.10124    69.70773
   70    68 S   HC   _H21    56     1.09574   111.39053   -51.38962
   71    68 S   HC   _H22    57     1.09673   110.97812  -170.89461
   72    67 S   CT   _C18    58     1.54060   114.54825    54.21426
   73    72 S   HC   _H23    59     1.09433   111.86235   -53.12426
   74    72 S   HC   _H24    60     1.09729   110.52958  -171.91811
   75    72 S   HC   _H25    61     1.08884   113.29605    69.51480
  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
  16   8   2   1   1  15   6   5  26   8  22  17   7   6  15   7
   7   2   1   1   8   5   4   7   4   3   1   1  11   4   3   2
   1   1   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    57    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    67    47    48    56    57    64    65    66    58  
   38    39    40    41    47    56    57    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    61    67    68    72    47    56    57    64    49  
   40    41    42    43    67    56  
   41    42    43    67    56  
   42    43    44    45    46    53    61    62    63    67    68    69    70    71    72    73    74    75    47    48    56    58    49    50    51    52  
   43    44    61    67    68    72    47    49  
   44    45    46    53    54    55    61    67    68    72    47    48    56    57    64    58    59    60    49    50    51    52  
   45    46    53    54    55    61    62    63    67    47    48    56    58    49    50    51    52  
   46    53    54    55    61    47    49  
   53    54    55    61    47    49  
   48    56    57    64    65    66    58    59    60    49    50    51    52    53    67  
   56    57    64    58    59    60    49  
   50    51    52    53    56    58    67  
   51    52  
   52  
    0  
   54    55    61    62    63    67    68    72  
   55    61    62    63    67  
   61    62    63    67  
   57    64    65    66    58    59    60  
   64    65    66    58  
   59    60    64  
   60  
    0  
   62    63    67    68    69    70    71    72    73    74    75  
   63    67    68    72  
   67    68    72  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   66   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    67   268.000  1.529
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   268.000  1.529
   67    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   47    48   340.000  1.090
   47    56   268.000  1.529
   47    58   317.000  1.522
   56    57   340.000  1.090
   56    64   317.000  1.522
   64    65   570.000  1.229
   64    66   340.000  1.090
   58    59   570.000  1.229
   58    60   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    67    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    58.35000  112.70000
   41    43    47    58.35000  112.70000
   41    43    49    58.35000  112.70000
   41    67    61    58.35000  112.70000
   41    67    68    58.35000  112.70000
   41    67    72    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    53    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    56    58.35000  112.70000
   43    47    58    63.00000  111.10000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    61    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    67    68    58.35000  112.70000
   61    67    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    41    42    37.50000  110.70000
   67    41    43    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    64    63.00000  111.10000
   47    58    59    80.00000  120.40000
   47    58    60    35.00000  115.00000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    64    65    80.00000  120.40000
   56    64    66    35.00000  115.00000
   64    56    57    35.00000  109.50000
   66    64    65    35.00000  123.00000
   58    47    48    35.00000  109.50000
   58    47    56    63.00000  111.10000
   60    58    59    35.00000  123.00000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.15000  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    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    67   0.56750  1.0 1.0
   33    38    41    67  -0.07550 -1.0 2.0
   33    38    41    67   0.20000  1.0 3.0
   33    56    64    65   0.30150 -1.0 2.0
   33    56    64    66   0.74550  1.0 1.0
   33    56    64    66  -0.00500 -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    56    47   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64  -0.11250  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64  -0.95700  1.0 1.0
   38    33    56    64  -0.18200 -1.0 2.0
   38    33    56    64   0.29450  1.0 3.0
   38    41    43    44   0.56750  1.0 1.0
   38    41    43    44  -0.07550 -1.0 2.0
   38    41    43    44   0.20000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    43    49   0.56750  1.0 1.0
   38    41    43    49  -0.07550 -1.0 2.0
   38    41    43    49   0.20000  1.0 3.0
   38    41    67    61   0.56750  1.0 1.0
   38    41    67    61  -0.07550 -1.0 2.0
   38    41    67    61   0.20000  1.0 3.0
   38    41    67    68   0.56750  1.0 1.0
   38    41    67    68  -0.07550 -1.0 2.0
   38    41    67    68   0.20000  1.0 3.0
   38    41    67    72   0.56750  1.0 1.0
   38    41    67    72  -0.07550 -1.0 2.0
   38    41    67    72   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    67   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    67   0.15000  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    46   0.15000  1.0 3.0
   41    43    44    53   0.56750  1.0 1.0
   41    43    44    53  -0.07550 -1.0 2.0
   41    43    44    53   0.20000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    56   0.56750  1.0 1.0
   41    43    47    56  -0.07550 -1.0 2.0
   41    43    47    56   0.20000  1.0 3.0
   41    43    47    58  -0.95700  1.0 1.0
   41    43    47    58  -0.18200 -1.0 2.0
   41    43    47    58   0.29450  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    51   0.15000  1.0 3.0
   41    43    49    52   0.15000  1.0 3.0
   41    67    68    69   0.15000  1.0 3.0
   41    67    68    70   0.15000  1.0 3.0
   41    67    68    71   0.15000  1.0 3.0
   41    67    72    73   0.15000  1.0 3.0
   41    67    72    74   0.15000  1.0 3.0
   41    67    72    75   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    67    61   0.15000  1.0 3.0
   42    41    67    68   0.15000  1.0 3.0
   42    41    67    72   0.15000  1.0 3.0
   43    41    67    61   0.56750  1.0 1.0
   43    41    67    61  -0.07550 -1.0 2.0
   43    41    67    61   0.20000  1.0 3.0
   43    41    67    68   0.56750  1.0 1.0
   43    41    67    68  -0.07550 -1.0 2.0
   43    41    67    68   0.20000  1.0 3.0
   43    41    67    72   0.56750  1.0 1.0
   43    41    67    72  -0.07550 -1.0 2.0
   43    41    67    72   0.20000  1.0 3.0
   43    44    53    54   0.15000  1.0 3.0
   43    44    53    55   0.15000  1.0 3.0
   43    44   -53    61   0.56750  1.0 1.0
   43    44   -53    61  -0.07550 -1.0 2.0
   43    44   -53    61   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    57   0.15000  1.0 3.0
   43    47    56    64  -0.95700  1.0 1.0
   43    47    56    64  -0.18200 -1.0 2.0
   43    47    56    64   0.29450  1.0 3.0
   43    47    58    59   0.30150 -1.0 2.0
   43    47    58    60   0.74550  1.0 1.0
   43    47    58    60  -0.00500 -1.0 2.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    56   0.56750  1.0 1.0
   44    43    47    56  -0.07550 -1.0 2.0
   44    43    47    56   0.20000  1.0 3.0
   44    43    47    58  -0.95700  1.0 1.0
   44    43    47    58  -0.18200 -1.0 2.0
   44    43    47    58   0.29450  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    53    61    62   0.15000  1.0 3.0
   44    53    61    63   0.15000  1.0 3.0
   44    53    61    67   0.56750  1.0 1.0
   44    53    61    67  -0.07550 -1.0 2.0
   44    53    61    67   0.20000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    61   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    55   0.15000  1.0 3.0
   46    44    53    61   0.15000  1.0 3.0
   53    61   -67    41   0.56750  1.0 1.0
   53    61   -67    41  -0.07550 -1.0 2.0
   53    61   -67    41   0.20000  1.0 3.0
   53    61    67    68   0.56750  1.0 1.0
   53    61    67    68  -0.07550 -1.0 2.0
   53    61    67    68   0.20000  1.0 3.0
   53    61    67    72   0.56750  1.0 1.0
   53    61    67    72  -0.07550 -1.0 2.0
   53    61    67    72   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    67   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    67   0.15000  1.0 3.0
   61    67    68    69   0.15000  1.0 3.0
   61    67    68    70   0.15000  1.0 3.0
   61    67    68    71   0.15000  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67    72    75   0.15000  1.0 3.0
   62    61    67    41   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   63    61    67    41   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    72   0.15000  1.0 3.0
   67    41   -43    44   0.56750  1.0 1.0
   67    41   -43    44  -0.07550 -1.0 2.0
   67    41   -43    44   0.20000  1.0 3.0
   67    41    43    47   0.56750  1.0 1.0
   67    41    43    47  -0.07550 -1.0 2.0
   67    41    43    47   0.20000  1.0 3.0
   67    41    43    49   0.56750  1.0 1.0
   67    41    43    49  -0.07550 -1.0 2.0
   67    41    43    49   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   72    67    68    69   0.15000  1.0 3.0
   72    67    68    70   0.15000  1.0 3.0
   72    67    68    71   0.15000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    53   0.56750  1.0 1.0
   47    43    44    53  -0.07550 -1.0 2.0
   47    43    44    53   0.20000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    52   0.15000  1.0 3.0
   47    56    64    65   0.30150 -1.0 2.0
   47    56    64    66   0.74550  1.0 1.0
   47    56    64    66  -0.00500 -1.0 2.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    64  -0.11250  1.0 3.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    60   0.00000  1.0 1.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   56    47    58    59   0.30150 -1.0 2.0
   56    47    58    60   0.74550  1.0 1.0
   56    47    58    60  -0.00500 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    66   0.00000  1.0 1.0
   58    47    56    33  -0.95700  1.0 1.0
   58    47    56    33  -0.18200 -1.0 2.0
   58    47    56    33   0.29450  1.0 3.0
   58    47    56    57  -0.11250  1.0 3.0
   58    47    56    64   0.11950  1.0 1.0
   58    47    56    64   0.20300 -1.0 2.0
   58    47    56    64  -0.70800  1.0 3.0
   49    43    44    45   0.15000  1.0 3.0
   49    43    44    46   0.15000  1.0 3.0
   49    43    44    53   0.56750  1.0 1.0
   49    43    44    53  -0.07550 -1.0 2.0
   49    43    44    53   0.20000  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    56   0.56750  1.0 1.0
   49    43    47    56  -0.07550 -1.0 2.0
   49    43    47    56   0.20000  1.0 3.0
   49    43    47    58  -0.95700  1.0 1.0
   49    43    47    58  -0.18200 -1.0 2.0
   49    43    47    58   0.29450  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
   56    66    64    65  10.50000 -1.0 2.0
   47    60    58    59  10.50000 -1.0 2.0
END
