* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    216     419
    1     0 S   NP   _N1_     1    28.74559    95.44786   -21.45170
    2     1 S   H    _HN1     2     1.02829    36.23922   152.72934
    3     1 S   H    _H1_     3     1.02782    92.53004   -89.88599
    4     1 S   H    _H2_     4     1.02951    81.75447    18.32496
    5     1 S   CT   _CA1     5     1.50144   145.73015   132.65643
    6     5 S   HC   _HA1     6     1.09573   105.17187    71.78032
    7     5 S   CO3  _C1_     7     1.53833   112.35708   -48.36212
    8     7 S   O2Z  _O11     8     1.26378   114.95156   -42.75216
    9     7 S   O2Z  _O12     9     1.26232   114.96376   136.11453
   10     5 S   CT   _CB1    10     1.53077   107.37875  -170.28331
   11    10 S   HC   HB11    11     1.09825   109.41857   -49.23615
   12    10 S   HC   HB12    12     1.09808   110.45907    67.41133
   13    10 S   CT   _CG1    13     1.52928   112.52727  -170.19496
   14    13 S   HC   HG11    14     1.09456   110.48855   -64.12826
   15    13 S   HC   HG12    15     1.09669   109.86625    54.93682
   16    13 S   C    _CD1    16     1.51793   112.39451   175.25059
   17    16 S   O    _OE1    17     1.22721   123.33397     0.89109
   18    16 S   N    _N2_    18     1.38599   111.57731  -178.58792
   19    18 S   H    _HN2    19     1.01622   118.87829     0.24866
   20    18 S   CT1  _CA2    20     1.46282   123.57873   177.12193
   21    20 S   HC   _HA2    21     1.09732   109.48227     0.51396
   22    20 S   C    _C2_    22     1.53501   108.54308  -114.98702
   23    22 S   O    _O2_    23     1.23056   122.30466  -148.23015
   24    20 S   CT   _CB2    32     1.53323   111.10720   122.76891
   25    24 S   HC   HB21    33     1.09178   109.03713    55.39299
   26    24 S   HC   HB22    34     1.09506   110.71871   173.42454
   27    22 S   N    _N3_    24     1.38344   113.65841    39.34372
   28    27 S   H    _HN3    25     1.01598   119.54127    -3.65431
   29    24 S   S    _SG2    35     1.82899   110.76619   -68.06265
   30    27 S   CT   _CA3    26     1.45281   123.18883   177.01699
   31    30 S   HC   HA31    27     1.09550   107.54747   -63.55428
   32    30 S   HC   HA32    28     1.09557   107.93267    52.86494
   33    29 S   CT   _C16    36     1.91440   103.01973   142.17886
   34    30 S   CO3  _C3_    29     1.52950   114.10699   174.84201
   35    34 S   O2Z  _O31    30     1.26371   116.07363    -0.31341
   36    34 S   O2Z  _O32    31     1.26432   114.41119   179.72660
   37    33 S   CM   _C11    37     1.55063   104.57864   176.25493
   38    37 S   CMA  _C12    38     1.37137   120.38698    87.93773
   39    38 S   OM   _O36    39     1.26399   130.38584  -177.76095
   40    37 S   CT   _C10    54     1.58195   117.43345   -89.16268
   41    38 S   CM   _C13    40     1.48579   119.16957     1.30266
   42    40 S   CT   _C9_    55     1.55627   114.49168   -26.71956
   43    42 S   HC   _H11    56     1.09873   110.84541   -84.24594
   44    42 S   HC   _H12    57     1.09932   109.86784   160.77197
   45    40 S   CM   _C20    71     1.53989   111.84918  -142.72502
   46    45 S   HC   _H22    72     1.09067   115.19830    54.25700
   47    40 S   CT   _C19    76     1.55013   108.18436    93.51243
   48    47 S   HC   _H19    77     1.09675   111.69212   178.32439
   49    47 S   HC   _H20    78     1.09607   111.87367    57.84424
   50    47 S   HC   _H21    79     1.09322   112.16472   -63.01911
   51    41 S   CM   _C14    41     1.34232   123.46432    17.86429
   52    41 S   OS   _O35    49     1.39907   117.57091  -168.08427
   53    42 S   CT   _C8_    58     1.51817   114.76021    38.47078
   54    53 S   HC   _H9_    59     1.09528   110.13993    65.83669
   55    53 S   HC   _H10    60     1.09660   108.98456  -179.19012
   56    45 S   CM   _C21    73     1.34028   128.42148  -126.04767
   57    56 S   HC   _H23    74     1.08507   119.95675   179.89532
   58    56 S   HC   _H24    75     1.08267   122.79622     0.69633
   59    33 S   CO4  _C15    42     1.54564   103.32887   -66.28279
   60    59 S   O    _O33    43     1.23249   122.79432    93.05288
   61    51 S   OS   _O34    44     1.38109   122.97006   176.02847
   62    52 S   CT   _C18    50     1.42839   110.48497    96.93256
   63    62 S   HC   _H16    51     1.09382   107.87635  -178.31926
   64    62 S   HC   _H17    52     1.09440   111.13865    63.31104
   65    62 S   HC   _H18    53     1.09529   111.32362   -59.78014
   66    33 S   CT   _C7_    61     1.56436   111.88334    52.03285
   67    66 S   HC   _H3_    62     1.09710   107.45441   -47.88182
   68    61 S   CT   _C17    45     1.42530   110.47294   -92.69890
   69    68 S   HC   _H13    46     1.09394   107.91515  -178.93541
   70    68 S   HC   _H14    47     1.09535   111.07176    62.73039
   71    68 S   HC   _H15    48     1.09526   111.24907   -60.43865
   72    66 S   CM   _C5_    63     1.54362   117.62398  -164.57885
   73    72 S   CM   _C6_    64     1.34405   125.69634   -24.16019
   74    73 S   HC   _H7_    65     1.08571   121.12605   179.14248
   75    73 S   HC   _H8_    66     1.08220   122.96436    -1.46260
   76    72 S   CT   _C4_    67     1.50967   115.16544   154.25626
   77    76 S   HC   _H4_    68     1.09497   110.26498   -57.49144
   78    76 S   HC   _H5_    69     1.09387   110.81662    62.80401
   79    76 S   HC   _H6_    70     1.09542   112.26796  -177.14028
  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  11   5   4   3
  20   2   1   1  22  12   4  18  10  15   7   6   9   4   5   2
   1   1  10   6   8   4   3   2   1   1   6   2   4   3   2   1
   1   9   3   3   2   1   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    59    66    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    51    59    60    40    53    66    67    72  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    51    59    60    61    40    42    53    54    55    66    67    72    73    76    45    47  
   35    36  
   36  
    0  
   38    39    41    51    59    60    52    40    42    43    44    53    66    67    72    45    46    56    47    48    49    50  
   39    41    51    59    61    52    62    40    42    66    45    47  
   41    51    52    40  
   42    43    44    53    54    55    66    45    46    56    57    58    47    48    49    50    41    59  
   51    59    60    61    68    52    62    63    64    65  
   43    44    53    54    55    66    67    72    45    46    56    47    48    49    50  
   44    53    54    55    66    45    47  
   53    54    55    66    45    47  
   46    56    57    58    47    48    49    50    53  
   56    57    58    47  
   48    49    50    53    56  
   49    50  
   50  
    0  
   59    60    61    68    69    70    71    52    62    66  
   62    63    64    65    59    61  
   54    55    66    67    72    73    76    59  
   55    66    67    72  
   66    67    72  
   57    58  
   58  
    0  
   60    61    68    66    67    72  
   61    66  
   68    69    70    71  
   63    64    65  
   64    65  
   65  
    0  
   67    72    73    74    75    76    77    78    79  
   72    73    76  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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   317.000  1.510
   33    59   317.000  1.522
   33    66   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    41   465.000  1.376
   41    51   549.000  1.340
   41    52   440.000  1.360
   51    59   320.000  1.462
   51    61   440.000  1.360
   59    60   570.000  1.229
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   40    42   268.000  1.529
   40    45   317.000  1.510
   40    47   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    66   268.000  1.529
   66    67   340.000  1.090
   66    72   317.000  1.510
   72    73   549.000  1.340
   72    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   45    46   340.000  1.080
   45    56   549.000  1.340
   56    57   340.000  1.080
   56    58   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    59    75.00000  110.18000
   29    33    66    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    59    51    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    66    53    58.35000  112.70000
   33    66    67    37.50000  110.70000
   33    66    72    70.00000  112.02700
   37    38    39    65.00000  137.10300
   37    38    41    70.00000  123.01800
   37    40    42    70.00000  112.02700
   37    40    45    70.00000  110.12100
   37    40    47    70.00000  112.02700
   38    41    51    70.00000  117.34000
   38    41    52    80.00000  120.01400
   41    38    39    65.00000  137.10300
   41    51    59    65.00000  118.96000
   41    51    61    80.00000  120.01400
   41    52    62    90.00000  111.18400
   51    59    60    80.00000  123.72100
   51    61    68    90.00000  111.18400
   59    33    37    70.00000  109.06800
   61    51    59    85.00000  116.28000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    41    51    80.00000  120.01400
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    53    58.35000  112.70000
   40    45    46    35.00000  117.00000
   40    45    56    70.00000  124.00000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   42    53    54    37.50000  110.70000
   42    53    55    37.50000  110.70000
   42    53    66    58.35000  112.70000
   44    42    43    33.00000  107.80000
   53    42    43    37.50000  110.70000
   53    42    44    37.50000  110.70000
   53    66    67    37.50000  110.70000
   53    66    72    70.00000  112.02700
   55    53    54    33.00000  107.80000
   66    33    37    70.00000  112.02700
   66    33    59    63.00000  111.10000
   66    53    54    37.50000  110.70000
   66    53    55    37.50000  110.70000
   66    72    73    70.00000  124.00000
   66    72    76    65.00000  117.92700
   72    66    67    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    35.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    73    74    35.00000  117.00000
   76    72    73    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   45    40    42    70.00000  112.02700
   45    56    57    35.00000  120.00000
   45    56    58    35.00000  120.00000
   56    45    46    35.00000  120.00000
   58    56    57    35.00000  117.00000
   47    40    42    58.35000  112.70000
   47    40    45    70.00000  112.02700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    59    51   0.65300  1.0 1.0
   29    33    59    51  -0.03850 -1.0 2.0
   29    33    59    51   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    66    53   0.44750  1.0 1.0
   29    33    66    53  -0.17800 -1.0 2.0
   29    33    66    53   0.20200  1.0 3.0
   29    33    66    67   0.15000  1.0 3.0
   29    33    66    72   0.56750  1.0 1.0
   29    33    66    72  -0.07550 -1.0 2.0
   29    33    66    72   0.20000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    40    42   0.46850  1.0 1.0
   33    37    40    42   0.08550 -1.0 2.0
   33    37    40    42   0.09800  1.0 3.0
   33    37    40    45   0.09700  1.0 1.0
   33    37    40    45   0.15600 -1.0 2.0
   33    37    40    45  -0.50800  1.0 3.0
   33    37    40    47   0.46850  1.0 1.0
   33    37    40    47   0.08550 -1.0 2.0
   33    37    40    47   0.09800  1.0 3.0
   33    66    72    73   0.09850  1.0 1.0
   33    66    72    73   0.15250 -1.0 2.0
   33    66    72    73  -0.50650  1.0 3.0
   33    66    72    76   0.46850  1.0 1.0
   33    66    72    76   0.08550 -1.0 2.0
   33    66    72    76   0.09800  1.0 3.0
   37    33    59    51   0.65300  1.0 1.0
   37    33    59    51  -0.03850 -1.0 2.0
   37    33    59    51   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    66    53   0.34400  1.0 1.0
   37    33    66    53   0.09450 -1.0 2.0
   37    33    66    53   0.11100  1.0 3.0
   37    33    66    67   0.15000  1.0 3.0
   37    33    66    72   0.31000  1.0 1.0
   37    33    66    72   0.14700 -1.0 2.0
   37    33    66    72   0.07550  1.0 3.0
   37    38   -41    51   7.00000 -1.0 2.0
   37    38    41    52   7.00000 -1.0 2.0
   37    40    42    43   0.15000  1.0 3.0
   37    40    42    44   0.15000  1.0 3.0
   37    40   -42    53   0.34400  1.0 1.0
   37    40   -42    53   0.09450 -1.0 2.0
   37    40   -42    53   0.11100  1.0 3.0
   37    40    45    46   0.00000  1.0 1.0
   37    40    45    56  -0.28300  1.0 1.0
   37    40    45    56   0.26700 -1.0 2.0
   37    40    45    56  -0.63300  1.0 3.0
   37    40    47    48   0.15000  1.0 3.0
   37    40    47    49   0.15000  1.0 3.0
   37    40    47    50   0.15000  1.0 3.0
   38    37    40    42   0.09850  1.0 1.0
   38    37    40    42   0.15250 -1.0 2.0
   38    37    40    42  -0.50650  1.0 3.0
   38    37    40    45  -0.28300  1.0 1.0
   38    37    40    45   0.26700 -1.0 2.0
   38    37    40    45  -0.63300  1.0 3.0
   38    37    40    47   0.09850  1.0 1.0
   38    37    40    47   0.15250 -1.0 2.0
   38    37    40    47  -0.50650  1.0 3.0
   38    41    51    59   7.00000 -1.0 2.0
   38    41    51    61   7.00000 -1.0 2.0
   38    41    52    62  -2.26850  1.0 1.0
   38    41    52    62   3.39050 -1.0 2.0
   39    38    41    51   7.00000 -1.0 2.0
   39    38    41    52   7.00000 -1.0 2.0
   41    51   -59    33  -0.33500  1.0 1.0
   41    51   -59    33   1.06600 -1.0 2.0
   41    51   -59    33  -0.14000  1.0 3.0
   41    51    59    60   1.00000 -1.0 2.0
   41    51    61    68  -2.26850  1.0 1.0
   41    51    61    68   3.39050 -1.0 2.0
   41    52    62    63   0.08050  1.0 3.0
   41    52    62    64   0.08050  1.0 3.0
   41    52    62    65   0.08050  1.0 3.0
   51    41    52    62  -2.26850  1.0 1.0
   51    41    52    62   3.39050 -1.0 2.0
   51    61    68    69   0.08050  1.0 3.0
   51    61    68    70   0.08050  1.0 3.0
   51    61    68    71   0.08050  1.0 3.0
   59    33   -37    38  -0.51250  1.0 1.0
   59    33   -37    38  -0.88800 -1.0 2.0
   59    33   -37    38   0.08850  1.0 3.0
   59    33    37    40   0.17250  1.0 1.0
   59    33    37    40  -0.04100 -1.0 2.0
   59    33    37    40  -0.33850  1.0 3.0
   59    33    66    53  -0.95700  1.0 1.0
   59    33    66    53  -0.18200 -1.0 2.0
   59    33    66    53   0.29450  1.0 3.0
   59    33    66    67  -0.11250  1.0 3.0
   59    33    66    72  -0.98800  1.0 1.0
   59    33    66    72   0.48800 -1.0 2.0
   59    33    66    72   0.76800  1.0 3.0
   59    51    61    68   0.15100 -1.0 2.0
   61    51    59    33   0.32450 -1.0 2.0
   61    51    59    33   0.17400  1.0 3.0
   61    51    59    60  -0.11900  1.0 1.0
   61    51    59    60   0.76850 -1.0 2.0
   61    51    59    60   0.14100  1.0 3.0
   52    41    51    59   7.00000 -1.0 2.0
   52    41    51    61   7.00000 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    42    53    54   0.15000  1.0 3.0
   40    42    53    55   0.15000  1.0 3.0
   40    42    53    66   0.56750  1.0 1.0
   40    42    53    66  -0.07550 -1.0 2.0
   40    42    53    66   0.20000  1.0 3.0
   40    45    56    57   7.00000 -1.0 2.0
   40    45    56    58   7.00000 -1.0 2.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    56   0.09850  1.0 1.0
   42    40    45    56   0.15250 -1.0 2.0
   42    40    45    56  -0.50650  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    50   0.15000  1.0 3.0
   42    53   -66    33   0.56750  1.0 1.0
   42    53   -66    33  -0.07550 -1.0 2.0
   42    53   -66    33   0.20000  1.0 3.0
   42    53    66    67   0.15000  1.0 3.0
   42    53    66    72   0.34400  1.0 1.0
   42    53    66    72   0.09450 -1.0 2.0
   42    53    66    72   0.11100  1.0 3.0
   43    42    53    54   0.15000  1.0 3.0
   43    42    53    55   0.15000  1.0 3.0
   43    42    53    66   0.15000  1.0 3.0
   44    42    53    54   0.15000  1.0 3.0
   44    42    53    55   0.15000  1.0 3.0
   44    42    53    66   0.15000  1.0 3.0
   53    66    72    73   0.09850  1.0 1.0
   53    66    72    73   0.15250 -1.0 2.0
   53    66    72    73  -0.50650  1.0 3.0
   53    66    72    76   0.46850  1.0 1.0
   53    66    72    76   0.08550 -1.0 2.0
   53    66    72    76   0.09800  1.0 3.0
   54    53    66    33   0.15000  1.0 3.0
   54    53    66    67   0.15000  1.0 3.0
   54    53    66    72   0.15000  1.0 3.0
   55    53    66    33   0.15000  1.0 3.0
   55    53    66    67   0.15000  1.0 3.0
   55    53    66    72   0.15000  1.0 3.0
   66    33    37    38   0.09850  1.0 1.0
   66    33    37    38   0.15250 -1.0 2.0
   66    33    37    38  -0.50650  1.0 3.0
   66    33   -37    40   0.46850  1.0 1.0
   66    33   -37    40   0.08550 -1.0 2.0
   66    33   -37    40   0.09800  1.0 3.0
   66    33    59    51   0.65300  1.0 1.0
   66    33    59    51  -0.03850 -1.0 2.0
   66    33    59    51   0.33900  1.0 3.0
   66    33    59    60   0.30150 -1.0 2.0
   66    72    73    74   7.00000 -1.0 2.0
   66    72    73    75   7.00000 -1.0 2.0
   66    72    76    77   0.34800  1.0 3.0
   66    72    76    78   0.34800  1.0 3.0
   66    72    76    79   0.34800  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    76   0.34800  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    79   0.00000  1.0 1.0
   76    72    73    74   7.00000 -1.0 2.0
   76    72    73    75   7.00000 -1.0 2.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    53   0.34400  1.0 1.0
   45    40    42    53   0.09450 -1.0 2.0
   45    40    42    53   0.11100  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    50   0.15000  1.0 3.0
   46    45    56    57   7.00000 -1.0 2.0
   46    45    56    58   7.00000 -1.0 2.0
   47    40    42    43   0.15000  1.0 3.0
   47    40    42    44   0.15000  1.0 3.0
   47    40    42    53   0.56750  1.0 1.0
   47    40    42    53  -0.07550 -1.0 2.0
   47    40    42    53   0.20000  1.0 3.0
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    56   0.09850  1.0 1.0
   47    40    45    56   0.15250 -1.0 2.0
   47    40    45    56  -0.50650  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
   33    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    52    41    51   1.10000 -1.0 2.0
   59    61    51    41   1.10000 -1.0 2.0
   33    51    59    60  10.50000 -1.0 2.0
   66    76    72    73  15.00000 -1.0 2.0
   74    75    73    72  15.00000 -1.0 2.0
   40    46    45    56  15.00000 -1.0 2.0
   57    58    56    45  15.00000 -1.0 2.0
END
