* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    142    204     411
    1     0 S   NP   _N1_     1    30.26692    97.08318   -27.50975
    2     1 S   H    _HN1     2     1.03114    27.00978  -171.68577
    3     1 S   H    _H1_     3     1.02749   129.95814  -132.49902
    4     1 S   H    _H2_     4     1.03150    83.28378   -24.42751
    5     1 S   CT   _CA1     5     1.50129   107.18467    85.99584
    6     5 S   HC   _HA1     6     1.09670   104.73817    89.98275
    7     5 S   CO3  _C1_     7     1.54286   111.30128   -27.23674
    8     7 S   O2Z  _O11     8     1.26171   116.40425   -97.26462
    9     7 S   O2Z  _O12     9     1.26463   114.16560    80.89946
   10     5 S   CT   _CB1    10     1.53070   107.14522  -153.89568
   11    10 S   HC   HB11    11     1.09844   109.86023   -46.04333
   12    10 S   HC   HB12    12     1.09727   110.52863    70.59412
   13    10 S   CT   _CG1    13     1.53048   112.05288  -166.44436
   14    13 S   HC   HG11    14     1.09558   110.97925   -60.91912
   15    13 S   HC   HG12    15     1.09649   109.55900    58.11390
   16    13 S   C    _CD1    16     1.51735   111.80269   179.14935
   17    16 S   O    _OE1    17     1.22802   122.87343    19.73644
   18    16 S   N    _N2_    18     1.38561   112.14032  -161.74534
   19    18 S   H    _HN2    19     1.01513   119.48683     5.00578
   20    18 S   CT1  _CA2    20     1.45806   122.53203  -179.91377
   21    20 S   HC   _HA2    21     1.09622   108.56664    26.88839
   22    20 S   C    _C2_    22     1.52980   107.09050   -89.63484
   23    22 S   O    _O2_    23     1.23013   122.99116   -25.81797
   24    20 S   CT   _CB2    32     1.53429   112.83192   150.32580
   25    24 S   HC   HB21    33     1.09672   109.73630    66.67380
   26    24 S   HC   HB22    34     1.09597   110.48408  -176.54946
   27    22 S   N    _N3_    24     1.38511   112.71055   156.78473
   28    27 S   H    _HN3    25     1.01697   120.32714    -1.94783
   29    24 S   S    _SG2    35     1.82838   114.83311   -52.94264
   30    27 S   CT   _CA3    26     1.45357   122.27455   178.80106
   31    30 S   HC   HA31    27     1.09575   107.73558   -56.68029
   32    30 S   HC   HA32    28     1.09572   107.61139    59.55187
   33    29 S   CMA  _C21    36     1.80549   100.58370   -57.06456
   34    33 S   OM   _O39    37     1.26487   120.60951   -65.29679
   35    30 S   CO3  _C3_    29     1.52843   114.58628  -178.60689
   36    35 S   O2Z  _O31    30     1.26293   116.16088    -0.09891
   37    35 S   O2Z  _O32    31     1.26472   114.36132   179.87180
   38    33 S   CM   _C20    38     1.35611   110.27793   115.61618
   39    38 S   HC   _H22    39     1.08783   121.53223     1.79515
   40    38 S   CO4  _C19    40     1.49632   124.63389  -178.87970
   41    40 S   O    _O40    41     1.22825   122.57671    28.85423
   42    40 S   CT   _C18    42     1.51106   115.98008  -151.36979
   43    42 S   HC   _H20    43     1.09568   107.89560    99.53095
   44    42 S   HC   _H21    44     1.09490   111.37358   -17.93155
   45    42 S   CO4  _C17    45     1.51096   113.36314  -139.69772
   46    45 S   O    _O38    46     1.23100   120.94189  -110.95027
   47    45 S   CT   _C16    47     1.51467   116.83516    67.22785
   48    47 S   HC   _H18    48     1.09482   107.33574   -94.49496
   49    47 S   HC   _H19    49     1.09510   109.16214    23.24047
   50    47 S   CO4  _C15    50     1.51415   115.21990   143.66446
   51    50 S   O    _O37    51     1.23011   122.34158   -15.09168
   52    50 S   CT   _C14    52     1.51243   115.87317   166.25279
   53    52 S   HC   _H16    53     1.09337   109.34238    52.06055
   54    52 S   HC   _H17    54     1.09553   108.06724   -65.15683
   55    52 S   CO4  _C13    55     1.51199   114.54897   174.14251
   56    55 S   O    _O36    56     1.23183   121.12264   108.96908
   57    55 S   CT   _C12    57     1.51229   117.79270   -72.20449
   58    57 S   HC   _H14    58     1.09396   109.04093    43.45710
   59    57 S   HC   _H15    59     1.09555   108.05442   160.37506
   60    57 S   CO4  _C11    60     1.51335   114.43669   -78.83421
   61    60 S   O    _O35    61     1.22967   121.44443    -1.96404
   62    60 S   CT   _C10    62     1.51677   115.34082   178.11083
   63    62 S   HC   _H12    63     1.09559   106.96340   -56.14452
   64    62 S   HC   _H13    64     1.09456   107.70325    61.13965
   65    62 S   CO4  _C9_    65     1.51645   117.39173  -176.92527
   66    65 S   O    _O34    66     1.23075   123.29059   -12.52903
   67    65 S   CT   _C8_    67     1.51335   116.41151   169.24615
   68    67 S   HC   _H10    68     1.09556   108.11909  -160.67689
   69    67 S   HC   _H11    69     1.09471   108.63042   -43.94501
   70    67 S   CO4  _C7_    70     1.51233   114.43326    78.40544
   71    70 S   O    _O33    71     1.22996   121.92206     1.93128
   72    70 S   CT   _C6_    72     1.52005   115.68018  -178.33200
   73    72 S   HC   _H8_    73     1.09570   107.87348    58.42567
   74    72 S   HC   _H9_    74     1.09569   107.87784   -58.69923
   75    72 S   CT   _C5_    75     1.52586   112.59158   179.83929
   76    75 S   HC   _H6_    76     1.09657   109.94982   -58.58766
   77    75 S   HC   _H7_    77     1.09657   109.95246    58.71382
   78    75 S   CT   _C4_    78     1.51992   111.51273  -179.93744
   79    78 S   HC   _H3_    79     1.09469   110.99909   -60.25695
   80    78 S   HC   _H4_    80     1.09468   110.99962    60.26582
   81    78 S   HC   _H5_    81     1.09449   110.26606  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   5   5   4   3
   6   3   2   1   1   7   3   7   4   8   4   3   7   4   8   4
   3   7   4   8   4   3   7   4   8   4   3   7   4   8   4   3
   7   4   8   4   3   8   4   9   5   4   6   5   4   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47  
   46    47    48    49    50    51    52  
   47    48    49    50  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57  
   52    53    54    55  
   53    54    55    56    57    58    59    60  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62  
   57    58    59    60  
   58    59    60    61    62    63    64    65  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    66    67  
   62    63    64    65  
   63    64    65    66    67    68    69    70  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.575000   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   3.5500   0.0760   0.382600   2.0020   1.7750   0.023028004  -0.852763146
   34   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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   240.000  1.763
   33    34   745.000  1.250
   33    38   465.000  1.376
   38    39   340.000  1.080
   38    40   320.000  1.462
   40    41   570.000  1.229
   40    42   317.000  1.522
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   317.000  1.522
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.522
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.522
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    95.00000  113.88000
   29    33    38    65.00000  122.11800
   33    38    39    40.00000  120.50800
   33    38    40    60.00000  125.92000
   38    33    34    65.00000  137.10300
   38    40    41    80.00000  123.72100
   38    40    42    65.00000  118.62400
   40    38    39    40.00000  117.72500
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    75.00000  107.99600
   42    40    41    80.00000  120.40000
   42    45    46    80.00000  120.40000
   42    45    47    70.00000  116.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    75.00000  107.99600
   47    45    46    80.00000  120.40000
   47    50    51    80.00000  120.40000
   47    50    52    70.00000  116.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    75.00000  107.99600
   52    50    51    80.00000  120.40000
   52    55    56    80.00000  120.40000
   52    55    57    70.00000  116.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  107.99600
   57    55    56    80.00000  120.40000
   57    60    61    80.00000  120.40000
   57    60    62    70.00000  116.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    75.00000  107.99600
   62    60    61    80.00000  120.40000
   62    65    66    80.00000  120.40000
   62    65    67    70.00000  116.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    75.00000  107.99600
   67    65    66    80.00000  120.40000
   67    70    71    80.00000  120.40000
   67    70    72    70.00000  116.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    63.00000  111.10000
   72    70    71    80.00000  120.40000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   1.00000 -1.0 2.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40    42    45   0.65300  1.0 1.0
   38    40    42    45  -0.03850 -1.0 2.0
   38    40    42    45   0.33900  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.04550  1.0 1.0
   39    38    40    42   0.83000 -1.0 2.0
   39    38    40    42  -0.04000  1.0 3.0
   40    42    45    46   0.30150 -1.0 2.0
   40    42    45    47   0.65300  1.0 1.0
   40    42    45    47  -0.03850 -1.0 2.0
   40    42    45    47   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.30150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    49   0.00000  1.0 1.0
   42    45    47    50   0.65300  1.0 1.0
   42    45    47    50  -0.03850 -1.0 2.0
   42    45    47    50   0.33900  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   44    42    45    46   0.00000  1.0 1.0
   44    42    45    47   0.00000  1.0 1.0
   45    47    50    51   0.30150 -1.0 2.0
   45    47    50    52   0.65300  1.0 1.0
   45    47    50    52  -0.03850 -1.0 2.0
   45    47    50    52   0.33900  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    52    55   0.65300  1.0 1.0
   47    50    52    55  -0.03850 -1.0 2.0
   47    50    52    55   0.33900  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    55    56   0.30150 -1.0 2.0
   50    52    55    57   0.65300  1.0 1.0
   50    52    55    57  -0.03850 -1.0 2.0
   50    52    55    57   0.33900  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    57    60   0.65300  1.0 1.0
   52    55    57    60  -0.03850 -1.0 2.0
   52    55    57    60   0.33900  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    60    61   0.30150 -1.0 2.0
   55    57    60    62   0.65300  1.0 1.0
   55    57    60    62  -0.03850 -1.0 2.0
   55    57    60    62   0.33900  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    62    63   0.00000  1.0 1.0
   57    60    62    64   0.00000  1.0 1.0
   57    60    62    65   0.65300  1.0 1.0
   57    60    62    65  -0.03850 -1.0 2.0
   57    60    62    65   0.33900  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    65    66   0.30150 -1.0 2.0
   60    62    65    67   0.65300  1.0 1.0
   60    62    65    67  -0.03850 -1.0 2.0
   60    62    65    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.30150 -1.0 2.0
   62    65    67    68   0.00000  1.0 1.0
   62    65    67    69   0.00000  1.0 1.0
   62    65    67    70   0.65300  1.0 1.0
   62    65    67    70  -0.03850 -1.0 2.0
   62    65    67    70   0.33900  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    70    71   0.30150 -1.0 2.0
   65    67    70    72   0.65300  1.0 1.0
   65    67    70    72  -0.03850 -1.0 2.0
   65    67    70    72   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    72    73   0.00000  1.0 1.0
   67    70    72    74   0.00000  1.0 1.0
   67    70    72    75   0.60050  1.0 1.0
   67    70    72    75   0.05600 -1.0 2.0
   67    70    72    75   0.26150  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    75    76  -0.11250  1.0 3.0
   70    72    75    77  -0.11250  1.0 3.0
   70    72    75    78  -0.95700  1.0 1.0
   70    72    75    78  -0.18200 -1.0 2.0
   70    72    75    78   0.29450  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.30150 -1.0 2.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   38    42    40    41  10.50000 -1.0 2.0
   42    47    45    46  10.50000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   52    57    55    56  10.50000 -1.0 2.0
   57    62    60    61  10.50000 -1.0 2.0
   62    67    65    66  10.50000 -1.0 2.0
   67    72    70    71  10.50000 -1.0 2.0
END
