* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    142    222     417
    1     0 S   NP   _N1_     1    27.91882    95.64762   -23.55036
    2     1 S   H    _HN1     2     1.02957    82.15174    -1.09432
    3     1 S   H    _H1_     3     1.02835    28.88197   148.51758
    4     1 S   H    _H2_     4     1.02776   103.14457  -108.19146
    5     1 S   CT   _CA1     5     1.50135   135.14168   110.00752
    6     5 S   HC   _HA1     6     1.09575   105.20544    77.93013
    7     5 S   CO3  _C1_     7     1.53782   112.36171   -42.24100
    8     7 S   O2Z  _O11     8     1.26366   114.99331   -43.74470
    9     7 S   O2Z  _O12     9     1.26235   114.93076   135.31022
   10     5 S   CT   _CB1    10     1.53093   107.41679  -164.17186
   11    10 S   HC   HB11    11     1.09827   109.31076   -50.47071
   12    10 S   HC   HB12    12     1.09815   110.43686    66.07980
   13    10 S   CT   _CG1    13     1.53021   112.68340  -171.53856
   14    13 S   HC   HG11    14     1.09594   110.50074   -64.85393
   15    13 S   HC   HG12    15     1.09658   109.90779    54.35008
   16    13 S   C    _CD1    16     1.51845   112.30170   174.70491
   17    16 S   O    _OE1    17     1.22755   123.29181     1.06973
   18    16 S   N    _N2_    18     1.38564   111.72664  -178.90104
   19    18 S   H    _HN2    19     1.01555   119.04236     4.18685
   20    18 S   CT1  _CA2    20     1.45826   122.85122   177.88409
   21    20 S   HC   _HA2    21     1.09731   108.90601    24.80250
   22    20 S   C    _C2_    22     1.52957   107.07033   -92.23833
   23    22 S   O    _O2_    23     1.22976   123.08098   -25.96288
   24    20 S   CT   _CB2    32     1.53221   112.25555   147.99249
   25    24 S   HC   HB21    33     1.09576   110.06733    54.74871
   26    24 S   HC   HB22    34     1.09420   109.83866   173.90938
   27    22 S   N    _N3_    24     1.38500   112.53877   156.81303
   28    27 S   H    _HN3    25     1.01658   120.33456    -2.40395
   29    24 S   S    _SG2    35     1.82321   111.18976   -66.18200
   30    27 S   CT   _CA3    26     1.45355   122.51759   178.47813
   31    30 S   HC   HA31    27     1.09567   107.87926   -54.15151
   32    30 S   HC   HA32    28     1.09559   107.55755    62.20177
   33    29 S   CT   _C17    36     1.87135   100.42877   169.90893
   34    33 S   HC   _H5_    37     1.09357   103.40934   -47.56441
   35    30 S   CO3  _C3_    29     1.52893   114.29677  -176.10509
   36    35 S   O2Z  _O31    30     1.26338   116.04869    -0.28531
   37    35 S   O2Z  _O32    31     1.26431   114.41686   179.65736
   38    33 S   CT   _C16    38     1.55796   109.38661    69.10205
   39    38 S   HC   _H23    39     1.09547   111.21672   134.82356
   40    38 S   HC   _H24    40     1.09770   110.25588    18.95633
   41    33 S   CT   _C5_    60     1.58049   112.79617  -161.94221
   42    41 S   OM   _O34    61     1.32650   110.12213   -68.94767
   43    38 S   CT   _C15    41     1.53012   114.12450  -102.92688
   44    43 S   HC   _H21    42     1.09709   109.16840   156.86767
   45    43 S   HC   _H22    43     1.09306   113.28044    38.55703
   46    41 S   CT   _C4_    62     1.55151   112.11180    49.78786
   47    46 S   HC   _H6_    63     1.09782   113.17922   -70.83962
   48    46 S   HC   _H7_    64     1.09857   111.54739   169.46234
   49    46 S   HC   _H8_    65     1.09556   111.43732    49.78229
   50    43 S   CO4  _C14    44     1.51853   111.59797   -85.13239
   51    50 S   O    _O33    45     1.23741   119.38478   -96.84184
   52    50 S   C4T  _C9_    46     1.55139   117.18992    82.49028
   53    52 S   HC   _H4_    47     1.09935   110.68814    16.25102
   54    52 S   C4T  _C10    48     1.55134   118.00855   143.63417
   55    54 S   HC   _H13    49     1.09449   115.11294   -98.68417
   56    54 S   HC   _H14    50     1.09695   113.98405    26.94590
   57    52 S   C4T  _C8_    52     1.56075   116.98666  -114.12061
   58    57 S   HC   _H3_    53     1.10192   111.85284   -32.52672
   59    54 S   C4T  _C11    51     1.55727    88.45085   143.14750
   60    57 S   CT   _C7_    54     1.52788   117.27438    95.22809
   61    60 S   HC   _H11    55     1.09750   108.09498   158.89554
   62    60 S   HC   _H12    56     1.09304   110.57049    42.92723
   63    60 S   CT   _C6_    57     1.54187   111.65285   -82.70081
   64    63 S   HC   _H9_    58     1.10246   106.29845  -122.41316
   65    63 S   HC   _H10    59     1.09816   110.11999   -10.13780
   66    59 S   CT   _C12    66     1.53074   113.27220    94.63333
   67    66 S   HC   _H15    67     1.09529   110.87868  -170.44029
   68    66 S   HC   _H16    68     1.09561   110.71053    69.96474
   69    66 S   HC   _H17    69     1.09480   112.18192   -49.95582
   70    59 S   CT   _C13    70     1.52763   113.63491  -137.71234
   71    70 S   HC   _H18    71     1.09530   110.78072   169.15471
   72    70 S   HC   _H19    72     1.09550   111.71263    49.15937
   73    70 S   HC   _H20    73     1.09536   110.92744   -70.80801
  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
  18   8   2   1   1  12   6   5  13   8   8   4   3   7   3   2
   1  10   4  13   7  14   5   4  16   7  12   7   4   3   2   1
   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    63    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    60    63    64    65    41    42    46    47    48    49  
   38    39    40    43    63    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52    63    41    42    46  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    57    60    61    62    63    64    65  
   46    47    48    49    60    63    64    65  
   44    45    50    51    52    53    54    57  
   45    50    51    52  
   50    51    52  
   47    48    49    60    63    64    65  
   48    49    63  
   49    63  
   63  
   51    52    53    54    55    56    59    57    58    60  
   52    53    54    57  
   53    54    55    56    59    57    58    60    61    62    63    66    70  
   54    55    56    59    57    58    60  
   55    56    59    57    58    60    66    67    68    69    70    71    72    73  
   56    59    57    66    70  
   59    57    66    70  
   58    60    61    62    63    64    65    66    67    68    69    70    71    72    73    59  
   60    61    62    63    66    70    59  
   60    61    62    63    66    67    68    69    70    71    72    73  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.447300   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.037300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.522
   50    51   570.000  1.229
   50    52   265.000  1.493
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    57   268.000  1.529
   59    66   260.000  1.519
   59    70   260.000  1.519
   57    58   340.000  1.090
   57    60   260.000  1.519
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    63    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    63.00000  111.10000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    80.00000  120.40000
   43    50    52    70.00000  116.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    52    53    40.00000  111.84800
   50    52    54    80.00000  115.07000
   50    52    57    80.00000  115.07000
   52    50    51    65.00000  127.62700
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    63.00000   92.00000
   52    57    59    63.00000   92.00000
   52    57    58    37.50000  110.70000
   52    57    60    65.00000  119.52000
   54    52    53    37.50000  110.70000
   54    59    57    63.00000   92.00000
   54    59    66    65.00000  119.52000
   54    59    70    65.00000  119.52000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    57    60    65.00000  119.52000
   59    66    67    45.00000  111.22300
   59    66    68    45.00000  111.22300
   59    66    69    45.00000  111.22300
   59    70    71    45.00000  111.22300
   59    70    72    45.00000  111.22300
   59    70    73    45.00000  111.22300
   57    52    53    37.50000  110.70000
   57    52    54    63.00000   92.00000
   57    60    61    45.00000  111.22300
   57    60    62    45.00000  111.22300
   57    60    63    70.00000  112.98000
   60    57    58    45.00000  112.72800
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    41    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    41    42    50.00000  109.50000
   63    41    46    58.35000  112.70000
   65    63    64    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    37.50000  110.70000
   41    63    65    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   66    59    57    65.00000  119.52000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    59    57    65.00000  119.52000
   70    59    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    63   0.44750  1.0 1.0
   29    33    41    63  -0.17800 -1.0 2.0
   29    33    41    63   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50  -0.95700  1.0 1.0
   33    38    43    50  -0.18200 -1.0 2.0
   33    38    43    50   0.29450  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    63   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    63   0.56750  1.0 1.0
   38    33    41    63  -0.07550 -1.0 2.0
   38    33    41    63   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.30150 -1.0 2.0
   38    43    50    52   0.60050  1.0 1.0
   38    43    50    52   0.05600 -1.0 2.0
   38    43    50    52   0.26150  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50  -0.11250  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50  -0.11250  1.0 3.0
   43    50    52    53   0.00000  1.0 1.0
   43    50    52    54   0.60050  1.0 1.0
   43    50    52    54   0.05600 -1.0 2.0
   43    50    52    54   0.26150  1.0 3.0
   43    50    52    57   0.60050  1.0 1.0
   43    50    52    57   0.05600 -1.0 2.0
   43    50    52    57   0.26150  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    52   0.00000  1.0 1.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    56   0.15000  1.0 3.0
   50    52    54    59   0.00000  1.0 1.0
   50    52   -57    59   0.00000  1.0 1.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    60  -0.95700  1.0 1.0
   50    52    57    60  -0.18200 -1.0 2.0
   50    52    57    60   0.29450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54  -0.11250  1.0 1.0
   51    50    52    54   0.11400 -1.0 2.0
   51    50    52    54  -0.28950  1.0 3.0
   51    50    52    57  -0.11250  1.0 1.0
   51    50    52    57   0.11400 -1.0 2.0
   51    50    52    57  -0.28950  1.0 3.0
   52    54   -59    57   0.00000  1.0 1.0
   52    54    59    66  -0.70950  1.0 1.0
   52    54    59    66   0.38400 -1.0 2.0
   52    54    59    70  -0.70950  1.0 1.0
   52    54    59    70   0.38400 -1.0 2.0
   52    57    60    61   0.00000  1.0 1.0
   52    57    60    62   0.00000  1.0 1.0
   52    57    60    63   0.04050  1.0 1.0
   52    57    60    63   0.63700 -1.0 2.0
   52    57    60    63   0.17650  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52   -57    59   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52   -57    59   0.00000  1.0 1.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    60  -0.70950  1.0 1.0
   54    52    57    60   0.38400 -1.0 2.0
   54    59   -57    52   0.00000  1.0 1.0
   54    59   -57    58   0.15000  1.0 3.0
   54    59   -57    60  -0.70950  1.0 1.0
   54    59   -57    60   0.38400 -1.0 2.0
   54    59    66    67   0.00000  1.0 1.0
   54    59    66    68   0.00000  1.0 1.0
   54    59    66    69   0.00000  1.0 1.0
   54    59    70    71   0.00000  1.0 1.0
   54    59    70    72   0.00000  1.0 1.0
   54    59    70    73   0.00000  1.0 1.0
   55    54    59    57   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    59    70   0.15000  1.0 3.0
   56    54    59    57   0.15000  1.0 3.0
   56    54    59    66   0.15000  1.0 3.0
   56    54    59    70   0.15000  1.0 3.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   59    57    60    63   0.04050  1.0 1.0
   59    57    60    63   0.63700 -1.0 2.0
   59    57    60    63   0.17650  1.0 3.0
   57    52   -54    55   0.15000  1.0 3.0
   57    52   -54    56   0.15000  1.0 3.0
   57    52   -54    59   0.00000  1.0 1.0
   57    59    66    67   0.00000  1.0 1.0
   57    59    66    68   0.00000  1.0 1.0
   57    59    66    69   0.00000  1.0 1.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   57    59    70    73   0.00000  1.0 1.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    41   0.31550 -1.0 2.0
   57    60    63    41   0.11250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   60    63    41    33   0.56750  1.0 1.0
   60    63    41    33  -0.07550 -1.0 2.0
   60    63    41    33   0.20000  1.0 3.0
   60    63    41    42   0.62750  1.0 1.0
   60    63    41    42  -0.30950 -1.0 2.0
   60    63    41    42   0.27300  1.0 3.0
   60    63    41    46   0.56750  1.0 1.0
   60    63    41    46  -0.07550 -1.0 2.0
   60    63    41    46   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    41   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    41   0.15000  1.0 3.0
   63    41    46    47   0.15000  1.0 3.0
   63    41    46    48   0.15000  1.0 3.0
   63    41    46    49   0.15000  1.0 3.0
   64    63    41    33   0.15000  1.0 3.0
   64    63    41    42   0.23400  1.0 3.0
   64    63    41    46   0.15000  1.0 3.0
   65    63    41    33   0.15000  1.0 3.0
   65    63    41    42   0.23400  1.0 3.0
   65    63    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   66    59   -57    52  -0.70950  1.0 1.0
   66    59   -57    52   0.38400 -1.0 2.0
   66    59    57    58   0.15000  1.0 3.0
   66    59    57    60   0.56750  1.0 1.0
   66    59    57    60  -0.07550 -1.0 2.0
   66    59    57    60   0.20000  1.0 3.0
   66    59    70    71   0.15000  1.0 3.0
   66    59    70    72   0.15000  1.0 3.0
   66    59    70    73   0.15000  1.0 3.0
   70    59   -57    52  -0.70950  1.0 1.0
   70    59   -57    52   0.38400 -1.0 2.0
   70    59    57    58   0.15000  1.0 3.0
   70    59    57    60   0.56750  1.0 1.0
   70    59    57    60  -0.07550 -1.0 2.0
   70    59    57    60   0.20000  1.0 3.0
   70    59    66    67   0.15000  1.0 3.0
   70    59    66    68   0.15000  1.0 3.0
   70    59    66    69   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    52    50    51  10.50000 -1.0 2.0
END
