* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     414
    1     0 S   NP   _N1_     1    29.87927    92.36946   -25.36757
    2     1 S   H    _HN1     2     1.02791   107.66805  -115.40026
    3     1 S   H    _H1_     3     1.02953    99.54385    -2.55183
    4     1 S   H    _H2_     4     1.02831     8.36849   151.96470
    5     1 S   CT   _CA1     5     1.50114   117.66528   116.69350
    6     5 S   HC   _HA1     6     1.09563   105.27297    64.47227
    7     5 S   CO3  _C1_     7     1.53805   112.36865   -55.94473
    8     7 S   O2Z  _O11     8     1.26378   115.01344   -44.11264
    9     7 S   O2Z  _O12     9     1.26229   114.94167   135.08849
   10     5 S   CT   _CB1    10     1.53024   107.39983  -177.44610
   11    10 S   HC   HB11    11     1.09836   109.54491   -49.14312
   12    10 S   HC   HB12    12     1.09757   110.31789    67.39353
   13    10 S   CT   _CG1    13     1.53014   112.74105  -170.14589
   14    13 S   HC   HG11    14     1.09572   110.70697   -61.96897
   15    13 S   HC   HG12    15     1.09641   109.89030    57.44013
   16    13 S   C    _CD1    16     1.51714   111.91437   178.06043
   17    16 S   O    _OE1    17     1.22776   123.14471     6.04993
   18    16 S   N    _N2_    18     1.38719   111.93628  -174.45907
   19    18 S   H    _HN2    19     1.01580   119.11887     3.34703
   20    18 S   CT1  _CA2    20     1.46086   123.10186   179.98022
   21    20 S   HC   _HA2    21     1.09628   109.10036     7.28551
   22    20 S   C    _C2_    22     1.53621   109.63939  -107.98602
   23    22 S   O    _O2_    23     1.23100   121.98373  -151.88553
   24    20 S   CT   _CB2    32     1.53495   112.05881   129.13146
   25    24 S   HC   HB21    33     1.09660   109.61777    68.72006
   26    24 S   HC   HB22    34     1.09592   110.38130  -174.36619
   27    22 S   N    _N3_    24     1.38229   114.04576    35.56326
   28    27 S   H    _HN3    25     1.01551   119.67182    -3.45717
   29    24 S   S    _SG2    35     1.82979   115.76922   -51.36905
   30    27 S   CT   _CA3    26     1.45295   123.22069   177.04580
   31    30 S   HC   HA31    27     1.09549   107.53693   -64.00408
   32    30 S   HC   HA32    28     1.09556   107.96305    52.44158
   33    29 S   CT   _C18    36     1.82465   100.33842   -56.77030
   34    33 S   HC   _H3_    37     1.09515   108.85612   -54.25897
   35    33 S   HC   _H4_    38     1.09140   107.80732    63.29899
   36    30 S   CO3  _C3_    29     1.52963   114.06101   174.42441
   37    36 S   O2Z  _O31    30     1.26378   116.05801    -0.36957
   38    36 S   O2Z  _O32    31     1.26423   114.41936   179.68596
   39    33 S   CT   _C12    39     1.52939   110.53430  -176.71413
   40    39 S   HC   _H27    40     1.09765   112.52540   -33.20132
   41    39 S   CO4  _C7_    41     1.51082   112.70212    89.15459
   42    41 S   O    _O17    42     1.22092   126.28978   -41.61592
   43    41 S   OS   _O18    43     1.36758   109.68996   139.49345
   44    43 S   CT   _C15    44     1.43780   109.79945     3.08147
   45    44 S   HC   _H30    45     1.09653   106.85628    93.80370
   46    44 S   CT   _C10    46     1.52495   108.47275  -147.10262
   47    46 S   HC   _H24    47     1.09888   109.08452    57.51351
   48    46 S   HC   _H25    48     1.09867   108.41869   -55.53142
   49    39 S   CT   _C13    67     1.53276   111.93933  -157.48695
   50    49 S   HC   _H28    68     1.09942   108.62106   -37.36988
   51    46 S   CT   _C14    49     1.53925   116.20767  -178.69854
   52    51 S   HC   _H29    50     1.09976   105.30288  -178.80286
   53    51 S   CT   _C11    51     1.54966   112.54772   -62.84094
   54    53 S   HC   _H26    52     1.09819   108.54524   -44.56483
   55    51 S   CT   _C17    69     1.53484   111.23905    66.46790
   56    55 S   HC   _H34    70     1.09391   112.41699   -65.50614
   57    55 S   HC   _H35    71     1.09441   111.26260   173.48711
   58    55 S   HC   _H36    72     1.09556   110.37581    54.57350
   59    53 S   CM   _C5_    53     1.51245   115.51558    78.54421
   60    59 S   CM   _C4_    54     1.34235   114.39049   118.34303
   61    59 S   CT   _C8_    64     1.50171   122.55603   -62.24030
   62    61 S   HC   _H20    65     1.09826   108.39884   119.26551
   63    61 S   HC   _H21    66     1.09735   107.97706  -125.67251
   64    60 S   CO4  _C6_    55     1.47168   106.26983     1.37059
   65    64 S   O    _O16    56     1.22218   123.67655  -178.54545
   66    60 S   CT   _C16    60     1.48185   131.41320  -179.00988
   67    66 S   HC   _H31    61     1.09461   110.40989   121.97880
   68    66 S   HC   _H32    62     1.09371   112.06732     2.05119
   69    66 S   HC   _H33    63     1.09457   110.43933  -118.21279
   70    53 S   CT   _C9_    57     1.53819   111.84858  -162.73020
   71    70 S   HC   _H22    58     1.09495   110.92136   123.66805
   72    70 S   HC   _H23    59     1.09311   113.64936    -0.38512
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   8   4  14   8  16   8   5   2   1   1  13  12   5   1   1   8
   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    61    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    59    61    62    63    49    50  
   41    42    43    44    61    49    50  
   42    43    44    45    46    61    49    50  
   43    44    49  
   44    45    46    47    48    51    61    49    50  
   45    46    47    48    51    52    53    59    61    62    63    49    50    55  
   46    47    48    51    61    49    50  
   47    48    51    52    53    54    59    70    61    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    51    53    59    60    61    62    63  
   59    61    62    63  
   52    53    54    59    60    64    70    71    72    61    55    56    57    58  
   53    54    59    70    55    56    57    58  
   54    59    60    64    65    70    71    72    66    61    62    63    55    56    57    58  
   59    60    64    70    71    72    61    55  
   56    57    58    59    70  
   57    58  
   58  
    0  
   60    64    65    70    71    72    66    67    68    69    61    62    63  
   64    65    70    71    72    66    67    68    69    61    62    63  
   62    63    64    66    70  
   63  
    0  
   65    70    71    72    66    67    68    69  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   317.000  1.510
   53    70   268.000  1.529
   59    60   549.000  1.340
   59    61   317.000  1.510
   60    64   320.000  1.462
   60    66   317.000  1.510
   64    65   570.000  1.229
   64    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    49   268.000  1.529
   49    50   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    61    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    61    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.02700
   51    53    70    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    70.00000  124.00000
   53    59    61    65.00000  117.92700
   53    70    64    63.00000  111.10000
   53    70    71    37.50000  110.70000
   53    70    72    37.50000  110.70000
   59    53    54    35.00000  109.50000
   59    60    64    65.00000  118.96000
   59    60    66    70.00000  124.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    49    70.00000  112.02700
   60    64    65    80.00000  123.72100
   60    64    70    65.00000  118.62400
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    35.00000  109.50000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   70    53    54    37.50000  110.70000
   70    53    59    70.00000  112.02700
   70    64    65    80.00000  120.40000
   72    70    71    33.00000  107.80000
   66    60    64    65.00000  116.34900
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   61    59    60    70.00000  124.00000
   61    49    50    37.50000  110.70000
   63    61    62    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    61    62    37.50000  110.70000
   49    61    63    37.50000  110.70000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    61   0.56750  1.0 1.0
   33    39    49    61  -0.07550 -1.0 2.0
   33    39    49    61   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    61   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    61  -0.95700  1.0 1.0
   41    39    49    61  -0.18200 -1.0 2.0
   41    39    49    61   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    61   0.62750  1.0 1.0
   43    44    49    61  -0.30950 -1.0 2.0
   43    44    49    61   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    61   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    61   0.56750  1.0 1.0
   46    44    49    61  -0.07550 -1.0 2.0
   46    44    49    61   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.34400  1.0 1.0
   46    51    53    59   0.09450 -1.0 2.0
   46    51    53    59   0.11100  1.0 3.0
   46    51    53    70   0.56750  1.0 1.0
   46    51    53    70  -0.07550 -1.0 2.0
   46    51    53    70   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.09850  1.0 1.0
   51    53    59    60   0.15250 -1.0 2.0
   51    53    59    60  -0.50650  1.0 3.0
   51    53    59    61   0.46850  1.0 1.0
   51    53    59    61   0.08550 -1.0 2.0
   51    53    59    61   0.09800  1.0 3.0
   51    53    70    64  -0.95700  1.0 1.0
   51    53    70    64  -0.18200 -1.0 2.0
   51    53    70    64   0.29450  1.0 3.0
   51    53    70    71   0.15000  1.0 3.0
   51    53    70    72   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    70   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59   -60    64   7.00000 -1.0 2.0
   53    59    60    66   7.00000 -1.0 2.0
   53    59    61    62   0.34800  1.0 3.0
   53    59    61    63   0.34800  1.0 3.0
   53    59    61    49   0.46850  1.0 1.0
   53    59    61    49   0.08550 -1.0 2.0
   53    59    61    49   0.09800  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.34800  1.0 3.0
   54    53    70    64  -0.11250  1.0 3.0
   54    53    70    71   0.15000  1.0 3.0
   54    53    70    72   0.15000  1.0 3.0
   59    53   -70    64  -0.98800  1.0 1.0
   59    53   -70    64   0.48800 -1.0 2.0
   59    53   -70    64   0.76800  1.0 3.0
   59    53    70    71   0.15000  1.0 3.0
   59    53    70    72   0.15000  1.0 3.0
   59    60    64    65   1.00000 -1.0 2.0
   59    60   -64    70  -0.33500  1.0 1.0
   59    60   -64    70   1.06600 -1.0 2.0
   59    60   -64    70  -0.14000  1.0 3.0
   59    60    66    67   0.00000  1.0 1.0
   59    60    66    68   0.00000  1.0 1.0
   59    60    66    69   0.00000  1.0 1.0
   59    61    49    39   0.34400  1.0 1.0
   59    61    49    39   0.09450 -1.0 2.0
   59    61    49    39   0.11100  1.0 3.0
   59    61    49    44   0.34400  1.0 1.0
   59    61    49    44   0.09450 -1.0 2.0
   59    61    49    44   0.11100  1.0 3.0
   59    61    49    50   0.15000  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    49   0.09850  1.0 1.0
   60    59    61    49   0.15250 -1.0 2.0
   60    59    61    49  -0.50650  1.0 3.0
   60    64   -70    53   0.65300  1.0 1.0
   60    64   -70    53  -0.03850 -1.0 2.0
   60    64   -70    53   0.33900  1.0 3.0
   60    64    70    71   0.00000  1.0 1.0
   60    64    70    72   0.00000  1.0 1.0
   64    60    66    67   0.15000  1.0 3.0
   64    60    66    68   0.15000  1.0 3.0
   64    60    66    69   0.15000  1.0 3.0
   65    64    70    53   0.30150 -1.0 2.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    72   0.00000  1.0 1.0
   70    53   -59    60   0.09850  1.0 1.0
   70    53   -59    60   0.15250 -1.0 2.0
   70    53   -59    60  -0.50650  1.0 3.0
   70    53    59    61   0.46850  1.0 1.0
   70    53    59    61   0.08550 -1.0 2.0
   70    53    59    61   0.09800  1.0 3.0
   66    60    64    65  -0.64400  1.0 1.0
   66    60    64    65   0.26850 -1.0 2.0
   66    60    64    70   0.25700  1.0 1.0
   66    60    64    70   0.66200 -1.0 2.0
   66    60    64    70   0.04450  1.0 3.0
   61    59    60    64   7.00000 -1.0 2.0
   61    59    60    66   7.00000 -1.0 2.0
   62    61    49    39   0.15000  1.0 3.0
   62    61    49    44   0.15000  1.0 3.0
   62    61    49    50   0.15000  1.0 3.0
   63    61    49    39   0.15000  1.0 3.0
   63    61    49    44   0.15000  1.0 3.0
   63    61    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.34400  1.0 1.0
   55    51    53    59   0.09450 -1.0 2.0
   55    51    53    59   0.11100  1.0 3.0
   55    51    53    70   0.56750  1.0 1.0
   55    51    53    70  -0.07550 -1.0 2.0
   55    51    53    70   0.20000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    61    59    60   1.10000 -1.0 2.0
   64    66    60    59   1.10000 -1.0 2.0
   60    70    64    65  10.50000 -1.0 2.0
END
