* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    222     424
    1     0 S   NP   _N1_     1    28.74268    95.01806   -24.16864
    2     1 S   H    _HN1     2     1.02784   107.84335   -86.30454
    3     1 S   H    _H1_     3     1.02950    79.11623    19.66219
    4     1 S   H    _H2_     4     1.02829    29.91963   178.66705
    5     1 S   CT   _CA1     5     1.50111   132.41571   127.42949
    6     5 S   HC   _HA1     6     1.09573   105.20432    83.80380
    7     5 S   CO3  _C1_     7     1.53794   112.45292   -36.44005
    8     7 S   O2Z  _O11     8     1.26372   115.00764   -42.67663
    9     7 S   O2Z  _O12     9     1.26241   114.94845   136.47351
   10     5 S   CT   _CB1    10     1.53082   107.42261  -158.21051
   11    10 S   HC   HB11    11     1.09831   109.38811   -49.77381
   12    10 S   HC   HB12    12     1.09813   110.43818    66.83802
   13    10 S   CT   _CG1    13     1.52983   112.59764  -170.76245
   14    13 S   HC   HG11    14     1.09586   110.60060   -65.11520
   15    13 S   HC   HG12    15     1.09669   109.81834    54.11314
   16    13 S   C    _CD1    16     1.51796   112.26968   174.56657
   17    16 S   O    _OE1    17     1.22726   123.30668     5.40461
   18    16 S   N    _N2_    18     1.38643   111.63094  -174.70665
   19    18 S   H    _HN2    19     1.01580   118.93642     1.82628
   20    18 S   CT1  _CA2    20     1.46213   123.41575   178.01141
   21    20 S   HC   _HA2    21     1.09739   109.41929     1.22269
   22    20 S   C    _C2_    22     1.53527   108.47756  -114.26721
   23    22 S   O    _O2_    23     1.23048   122.31791  -147.20770
   24    20 S   CT   _CB2    32     1.53507   111.51192   123.30323
   25    24 S   HC   HB21    33     1.09320   109.41443    56.82157
   26    24 S   HC   HB22    34     1.09410   109.52865   175.55812
   27    22 S   N    _N3_    24     1.38341   113.64922    40.19517
   28    27 S   H    _HN3    25     1.01593   119.57864    -3.33137
   29    24 S   S    _SG2    35     1.83039   110.94310   -65.11709
   30    27 S   CT   _CA3    26     1.45285   123.18148   177.12091
   31    30 S   HC   HA31    27     1.09550   107.50758   -64.54234
   32    30 S   HC   HA32    28     1.09557   107.98342    51.88872
   33    29 S   CT   _C9_    36     1.90112   103.15470   169.36189
   34    30 S   CO3  _C3_    29     1.52952   114.09751   173.88467
   35    34 S   O2Z  _O31    30     1.26373   116.07071    -0.79574
   36    34 S   O2Z  _O32    31     1.26429   114.41028   179.26725
   37    33 S   CT   _C8_    37     1.54302   109.80274    48.20959
   38    37 S   HC   _H10    38     1.09499   111.83019   -63.07218
   39    37 S   HC   _H11    39     1.09579   111.10426   178.30557
   40    33 S   CT   _C14    56     1.55331   103.97966   -70.51712
   41    40 S   HC   _H16    57     1.09611   110.67435    70.08637
   42    40 S   HC   _H17    58     1.09863   110.37551   -47.23170
   43    37 S   CO4  _C7_    40     1.51650   111.48461    58.94584
   44    43 S   O    _O33    41     1.23093   121.21177  -149.53028
   45    43 S   CT   _C6_    42     1.51345   117.48574    30.47001
   46    45 S   HC   _H8_    43     1.09687   107.41872   148.46849
   47    45 S   HC   _H9_    44     1.09305   109.96228   -94.88728
   48    45 S   CT   _C5_    45     1.53008   110.20459    29.02456
   49    48 S   HC   _H3_    46     1.10026   104.39882    60.65573
   50    33 S   CT   _C10    47     1.60348   111.55300   168.62149
   51    48 S   CT   _C4_    71     1.53349   109.86156   172.65215
   52    51 S   HC   _H5_    72     1.09439   111.82561    61.91820
   53    51 S   HC   _H6_    73     1.09596   110.38483   -57.34211
   54    51 S   HC   _H7_    74     1.09431   111.30943  -176.13497
   55    50 S   CT   _C11    48     1.57428   110.70228   158.13330
   56    55 S   HC   _H12    49     1.09764   108.83754  -173.72783
   57    55 S   HC   _H13    50     1.09923   109.58859    71.60605
   58    50 S   CT   _C18    67     1.55379   111.42846    39.75173
   59    58 S   HC   _H23    68     1.09467   112.00265   -74.07411
   60    58 S   HC   _H24    69     1.09591   111.70721   166.18960
   61    58 S   HC   _H25    70     1.09475   111.90062    46.99833
   62    55 S   CT   _C12    51     1.53460   115.21744   -49.63629
   63    62 S   HC   _H4_    52     1.09799   109.34332   -57.87976
   64    62 S   CT   _C13    53     1.53145   108.14606    58.51178
   65    64 S   HC   _H14    54     1.09735   109.96787   179.43283
   66    64 S   HC   _H15    55     1.09657   111.27611    61.26921
   67    62 S   CM   _C15    59     1.52764   110.77699  -174.79681
   68    67 S   CM   _C16    60     1.34365   124.73870  -102.76623
   69    68 S   HC   _H18    61     1.08570   121.17528  -179.29362
   70    68 S   HC   _H19    62     1.08345   122.55523     1.18085
   71    67 S   CT   _C17    63     1.50791   115.51126    78.60446
   72    71 S   HC   _H20    64     1.09398   110.81948   -63.12427
   73    71 S   HC   _H21    65     1.09495   110.26563    57.10404
   74    71 S   HC   _H22    66     1.09540   112.20605   176.78783
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   8   4  11   5   4  14
   7  15   5   2   1   1  14   6   5   4   2   1   1  12   6   5
   2   1   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    48    50    55    64    40    41    42    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    55    56    57    62    64    65    66    40    41    42    58    59    60    61    51  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    50    55    64    40    41    42    58  
   39    43    44    45    50    40  
   43    44    45    50    40  
   41    42    67    58    43    48    50    55    62    63    64    65    66  
   42    50    62    64    65    66  
   50    62    64    65    66  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    55    58    51    52    53    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    55    56    57    62    58    59    60    61    51    52    53    54  
   50    55    58    51    52    53    54  
   55    56    57    62    63    64    67    58    59    60    61    51    52    53    54  
   52    53    54    55    58  
   53    54  
   54  
    0  
   56    57    62    63    64    65    66    67    68    71    58    59    60    61  
   57    62    63    64    67    58  
   62    63    64    67    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72    73    74  
   64    65    66    67    68    71  
   65    66    67    68    71  
   66    67  
   67  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    50   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   268.000  1.529
   50    55   268.000  1.529
   50    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    50    48    58.35000  112.70000
   33    50    55    58.35000  112.70000
   33    50    58    58.35000  112.70000
   33    40    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    50    58    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    67    70.00000  112.02700
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    40    58.35000  112.70000
   62    67    68    70.00000  124.00000
   62    67    71    65.00000  117.92700
   64    62    63    37.50000  110.70000
   64    40    41    37.50000  110.70000
   64    40    42    37.50000  110.70000
   66    64    65    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    50    58.35000  112.70000
   40    64    65    37.50000  110.70000
   40    64    66    37.50000  110.70000
   42    40    41    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    70.00000  112.02700
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    50    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    55   0.44750  1.0 1.0
   29    33    50    55  -0.17800 -1.0 2.0
   29    33    50    55   0.20200  1.0 3.0
   29    33    50    58   0.44750  1.0 1.0
   29    33    50    58  -0.17800 -1.0 2.0
   29    33    50    58   0.20200  1.0 3.0
   29    33    40    64   0.44750  1.0 1.0
   29    33    40    64  -0.17800 -1.0 2.0
   29    33    40    64   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    50    55    56   0.15000  1.0 3.0
   33    50    55    57   0.15000  1.0 3.0
   33    50    55    62   0.56750  1.0 1.0
   33    50    55    62  -0.07550 -1.0 2.0
   33    50    55    62   0.20000  1.0 3.0
   33    50    58    59   0.15000  1.0 3.0
   33    50    58    60   0.15000  1.0 3.0
   33    50    58    61   0.15000  1.0 3.0
   37    33    50    48   0.56750  1.0 1.0
   37    33    50    48  -0.07550 -1.0 2.0
   37    33    50    48   0.20000  1.0 3.0
   37    33    50    55   0.56750  1.0 1.0
   37    33    50    55  -0.07550 -1.0 2.0
   37    33    50    55   0.20000  1.0 3.0
   37    33    50    58   0.56750  1.0 1.0
   37    33    50    58  -0.07550 -1.0 2.0
   37    33    50    58   0.20000  1.0 3.0
   37    33    40    64   0.56750  1.0 1.0
   37    33    40    64  -0.07550 -1.0 2.0
   37    33    40    64   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.60050  1.0 1.0
   37    43   -45    48   0.05600 -1.0 2.0
   37    43   -45    48   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    48    49  -0.11250  1.0 3.0
   43    45    48    50  -0.95700  1.0 1.0
   43    45    48    50  -0.18200 -1.0 2.0
   43    45    48    50   0.29450  1.0 3.0
   43    45    48    51  -0.95700  1.0 1.0
   43    45    48    51  -0.18200 -1.0 2.0
   43    45    48    51   0.29450  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    55   0.56750  1.0 1.0
   45    48    50    55  -0.07550 -1.0 2.0
   45    48    50    55   0.20000  1.0 3.0
   45    48    50    58   0.56750  1.0 1.0
   45    48    50    58  -0.07550 -1.0 2.0
   45    48    50    58   0.20000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48    51    54   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50    55    62   0.56750  1.0 1.0
   48    50    55    62  -0.07550 -1.0 2.0
   48    50    55    62   0.20000  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    50    58    61   0.15000  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    50    58   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    43  -0.95700  1.0 1.0
   50    33   -37    43  -0.18200 -1.0 2.0
   50    33   -37    43   0.29450  1.0 3.0
   50    33    40    64   0.56750  1.0 1.0
   50    33    40    64  -0.07550 -1.0 2.0
   50    33    40    64   0.20000  1.0 3.0
   50    33    40    41   0.15000  1.0 3.0
   50    33    40    42   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   50    55    62    63   0.15000  1.0 3.0
   50    55   -62    64   0.56750  1.0 1.0
   50    55   -62    64  -0.07550 -1.0 2.0
   50    55   -62    64   0.20000  1.0 3.0
   50    55    62    67   0.34400  1.0 1.0
   50    55    62    67   0.09450 -1.0 2.0
   50    55    62    67   0.11100  1.0 3.0
   55    50    58    59   0.15000  1.0 3.0
   55    50    58    60   0.15000  1.0 3.0
   55    50    58    61   0.15000  1.0 3.0
   55    62    64    65   0.15000  1.0 3.0
   55    62    64    66   0.15000  1.0 3.0
   55    62    64    40   0.56750  1.0 1.0
   55    62    64    40  -0.07550 -1.0 2.0
   55    62    64    40   0.20000  1.0 3.0
   55    62    67    68   0.09850  1.0 1.0
   55    62    67    68   0.15250 -1.0 2.0
   55    62    67    68  -0.50650  1.0 3.0
   55    62    67    71   0.46850  1.0 1.0
   55    62    67    71   0.08550 -1.0 2.0
   55    62    67    71   0.09800  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    67   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    67   0.15000  1.0 3.0
   62    64   -40    33   0.56750  1.0 1.0
   62    64   -40    33  -0.07550 -1.0 2.0
   62    64   -40    33   0.20000  1.0 3.0
   62    64    40    41   0.15000  1.0 3.0
   62    64    40    42   0.15000  1.0 3.0
   62    67    68    69   7.00000 -1.0 2.0
   62    67    68    70   7.00000 -1.0 2.0
   62    67    71    72   0.34800  1.0 3.0
   62    67    71    73   0.34800  1.0 3.0
   62    67    71    74   0.34800  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    40   0.15000  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    71   0.34800  1.0 3.0
   64    62    67    68   0.09850  1.0 1.0
   64    62    67    68   0.15250 -1.0 2.0
   64    62    67    68  -0.50650  1.0 3.0
   64    62    67    71   0.46850  1.0 1.0
   64    62    67    71   0.08550 -1.0 2.0
   64    62    67    71   0.09800  1.0 3.0
   65    64    40    33   0.15000  1.0 3.0
   65    64    40    41   0.15000  1.0 3.0
   65    64    40    42   0.15000  1.0 3.0
   66    64    40    33   0.15000  1.0 3.0
   66    64    40    41   0.15000  1.0 3.0
   66    64    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    50    48   0.56750  1.0 1.0
   40    33    50    48  -0.07550 -1.0 2.0
   40    33    50    48   0.20000  1.0 3.0
   40    33   -50    55   0.56750  1.0 1.0
   40    33   -50    55  -0.07550 -1.0 2.0
   40    33   -50    55   0.20000  1.0 3.0
   40    33    50    58   0.56750  1.0 1.0
   40    33    50    58  -0.07550 -1.0 2.0
   40    33    50    58   0.20000  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    40   0.34400  1.0 1.0
   67    62    64    40   0.09450 -1.0 2.0
   67    62    64    40   0.11100  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   58    50    55    56   0.15000  1.0 3.0
   58    50    55    57   0.15000  1.0 3.0
   58    50    55    62   0.56750  1.0 1.0
   58    50    55    62  -0.07550 -1.0 2.0
   58    50    55    62   0.20000  1.0 3.0
   51    48    50    33   0.56750  1.0 1.0
   51    48    50    33  -0.07550 -1.0 2.0
   51    48    50    33   0.20000  1.0 3.0
   51    48    50    55   0.56750  1.0 1.0
   51    48    50    55  -0.07550 -1.0 2.0
   51    48    50    55   0.20000  1.0 3.0
   51    48    50    58   0.56750  1.0 1.0
   51    48    50    58  -0.07550 -1.0 2.0
   51    48    50    58   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   62    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
