* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    222     431
    1     0 S   NP   _N1_     1    29.21335    93.78708   -25.54849
    2     1 S   H    _HN1     2     1.02773   116.07391   -96.26751
    3     1 S   H    _H1_     3     1.02961    83.56017    11.03423
    4     1 S   H    _H2_     4     1.02835    23.49686  -170.81729
    5     1 S   CT   _CA1     5     1.50154   121.58734   120.98562
    6     5 S   HC   _HA1     6     1.09578   105.18643    82.50130
    7     5 S   CO3  _C1_     7     1.53769   112.37793   -37.59141
    8     7 S   O2Z  _O11     8     1.26361   114.98716   -42.80480
    9     7 S   O2Z  _O12     9     1.26239   114.92789   136.17059
   10     5 S   CT   _CB1    10     1.53077   107.38475  -159.65342
   11    10 S   HC   HB11    11     1.09827   109.22566   -50.76990
   12    10 S   HC   HB12    12     1.09819   110.45518    65.74474
   13    10 S   CT   _CG1    13     1.53021   112.73980  -171.88869
   14    13 S   HC   HG11    14     1.09594   110.45282   -65.65476
   15    13 S   HC   HG12    15     1.09655   109.96707    53.58238
   16    13 S   C    _CD1    16     1.51816   112.26404   173.82464
   17    16 S   O    _OE1    17     1.22781   123.26021    -0.77708
   18    16 S   N    _N2_    18     1.38617   111.75356   179.33795
   19    18 S   H    _HN2    19     1.01562   119.19517     4.02837
   20    18 S   CT1  _CA2    20     1.45594   122.64653   177.69488
   21    20 S   HC   _HA2    21     1.09446   108.81240    18.05498
   22    20 S   C    _C2_    22     1.52764   107.15342   -97.90870
   23    22 S   O    _O2_    23     1.22950   123.00709   -31.74247
   24    20 S   CT   _CB2    32     1.53159   112.53656   141.54545
   25    24 S   HC   HB21    33     1.09641   110.04108    59.48257
   26    24 S   HC   HB22    34     1.09583   110.60548   176.82578
   27    22 S   N    _N3_    24     1.38520   112.42412   150.58906
   28    27 S   H    _HN3    25     1.01671   120.39008    -0.75899
   29    24 S   S    _SG2    35     1.83174   114.55928   -60.85639
   30    27 S   CT   _CA3    26     1.45311   122.59994   179.76510
   31    30 S   HC   HA31    27     1.09551   107.65559   -61.80637
   32    30 S   HC   HA32    28     1.09568   107.79098    54.56916
   33    29 S   CT   _C19    36     1.83913    99.47594   -57.66248
   34    33 S   HC   _H3_    37     1.09461   105.24745   -46.77166
   35    33 S   HC   _H4_    38     1.09480   106.07891    68.06392
   36    30 S   CO3  _C3_    29     1.52906   114.20309   176.61135
   37    36 S   O2Z  _O31    30     1.26326   116.04198     5.74262
   38    36 S   O2Z  _O32    31     1.26428   114.41766  -174.36834
   39    33 S   CT   _C12    39     1.55996   118.48561  -168.48832
   40    39 S   OM   _O17    40     1.32437   108.71012   -60.28592
   41    39 S   CT   _C8_    41     1.56012   110.14720    57.02801
   42    41 S   HC   _H26    42     1.09862   109.07967    52.88838
   43    41 S   HC   _H27    43     1.09895   111.71978   -63.51211
   44    41 S   CT   _C7_    44     1.52948   114.15575   174.18500
   45    44 S   HC   _H24    45     1.09569   109.39501  -171.85006
   46    44 S   HC   _H25    46     1.09515   111.78778    69.28477
   47    44 S   CO4  _C4_    47     1.50764   110.91016   -51.72659
   48    47 S   O    _O18    48     1.23116   120.69502  -130.66932
   49    47 S   CT   _C9_    49     1.52949   116.40112    52.34495
   50    49 S   HC   _H28    50     1.09592   106.98945    67.14759
   51    39 S   CT   _C11    51     1.60163   109.77119   178.09012
   52    49 S   OS   _O21    76     1.42807   108.74956  -173.91517
   53    51 S   C3T  _C13    52     1.56725   113.75511    59.90895
   54    51 S   OH   _O20    74     1.44602   107.15513   -58.40382
   55    54 S   HO   _H46    75     0.96981   109.69497   -73.58253
   56    52 S   CT   _C17    77     1.42118   112.98776   -91.98297
   57    56 S   HC   _H39    78     1.09323   108.28309   177.11554
   58    56 S   HC   _H40    79     1.09387   111.04843    57.91385
   59    56 S   HC   _H41    80     1.09428   110.22740   -64.38020
   60    53 S   C3T  _C10    53     1.54552   124.05729   -94.15490
   61    60 S   HC   _H29    54     1.08495   116.18952   153.71284
   62    53 S   CT   _C16    70     1.51108   118.60777    66.60396
   63    62 S   HC   _H36    71     1.09186   112.76855    37.64091
   64    62 S   HC   _H37    72     1.09413   110.52273   -84.72203
   65    62 S   HC   _H38    73     1.09682   111.11403   157.12303
   66    53 S   O3T  _O19    55     1.44149   113.77131  -159.46809
   67    60 S   CT   _C18    56     1.49951   127.54670    -2.31427
   68    67 S   HC   _H42    57     1.09466   110.89596   -63.29975
   69    67 S   HC   _H43    58     1.09250   109.49376    52.73302
   70    67 S   CM   _C5_    59     1.50633   114.16991   171.28443
   71    70 S   HC   _H23    60     1.08970   114.07278   -78.34952
   72    70 S   CM   _C6_    61     1.34614   127.69390   103.87277
   73    72 S   CT   _C14    62     1.50515   120.44667   177.11317
   74    73 S   HC   _H30    63     1.09488   110.29990   119.27301
   75    73 S   HC   _H31    64     1.09501   110.18582  -120.88271
   76    73 S   HC   _H32    65     1.09521   112.40043    -0.90935
   77    72 S   CT   _C15    66     1.50219   124.93808    -3.09003
   78    77 S   HC   _H33    67     1.09476   110.12159   112.99068
   79    77 S   HC   _H34    68     1.09543   110.05988  -127.66949
   80    77 S   HC   _H35    69     1.09253   113.39781    -8.19740
  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
  12   5   4   2   1   1  18   8  11   6   5   8   4   3   8   4
  13   5  13   6  13   4   1   3   2   1   1  12   6   5   3   2
   1   4   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    49    51    53    54  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    51    53    60    66    62    54    55    52  
   41    42    43    44    49    51    53    54  
   42    43    44    45    46    47    48    49    51    53    54  
   43    44    45    46    47    51  
   44    45    46    47    51  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    53    54    52    56  
   49    50    51    52  
   50    51    53    60    66    62    54    55    52    56    57    58    59  
   51    53    54    52    56  
   53    60    61    66    67    62    63    64    65    54    55    52    56  
   56    57    58    59    53    54  
   60    61    66    67    68    69    70    62    63    64    65    54    55  
   55    60    62    66  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    66    67    68    69    70    71    72    62    63    64    65  
   66    67    68    69    70    62  
   63    64    65    66    67  
   64    65    66  
   65    66  
   66  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   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    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   570.000  1.307
   39    41   268.000  1.529
   39    51   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   317.000  1.522
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   320.000  1.410
   51    53   275.000  1.510
   51    54   320.000  1.410
   53    60   260.000  1.509
   53    66   335.000  1.432
   53    62   275.000  1.510
   60    61   340.000  1.088
   60    66   335.000  1.432
   60    67   275.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   553.000  0.945
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    51    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    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    51    49    58.35000  112.70000
   39    51    53    70.00000  112.37300
   39    51    54    50.00000  109.50000
   41    39    40    50.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    63.00000  111.10000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    47    48    80.00000  120.40000
   44    47    49    70.00000  116.00000
   46    44    45    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    63.00000  111.10000
   47    49    52    90.00000  108.74100
   49    47    48    80.00000  120.40000
   49    51    53    70.00000  112.37300
   49    51    54    50.00000  109.50000
   49    52    56    60.00000  109.50000
   51    39    40    50.00000  109.50000
   51    39    41    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    60    60.00000  120.94000
   51    53    66    80.00000  116.47100
   51    53    62    58.35000  112.70000
   51    54    55    55.00000  108.50000
   53    60    61    37.50000  117.20000
   53    60    66    15.00000   60.43100
   53    60    67    60.00000  120.94000
   53    66    60    15.00000   59.14900
   53    62    63    45.00000  109.38400
   53    62    64    45.00000  109.38400
   53    62    65    45.00000  109.38400
   60    67    68    45.00000  109.38400
   60    67    69    45.00000  109.38400
   60    67    70    70.00000  112.02700
   66    53    60    15.00000   60.43100
   66    60    61    50.00000  114.27700
   67    60    61    40.00000  115.04500
   67    60    66    80.00000  116.47100
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   62    53    60    60.00000  120.94000
   62    53    66    80.00000  116.47100
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    51    53    50.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    50.00000  109.50000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    51    49   0.56750  1.0 1.0
   33    39    51    49  -0.07550 -1.0 2.0
   33    39    51    49   0.20000  1.0 3.0
   33    39    51    53   0.47050  1.0 1.0
   33    39    51    53   0.03900 -1.0 2.0
   33    39    51    53   0.20100  1.0 3.0
   33    39    51    54   0.86500  1.0 1.0
   33    39    51    54  -0.17500 -1.0 2.0
   33    39    51    54   0.20800  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.15000  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    46   0.15000  1.0 3.0
   39    41    44    47  -0.95700  1.0 1.0
   39    41    44    47  -0.18200 -1.0 2.0
   39    41    44    47   0.29450  1.0 3.0
   39    51    53    60   0.07850  1.0 1.0
   39    51    53    60  -0.03950 -1.0 2.0
   39    51    53    60   0.67350  1.0 3.0
   39    51    53    66   0.02550  1.0 1.0
   39    51    53    66  -0.02600 -1.0 2.0
   39    51    53    66   1.20400  1.0 3.0
   39    51    53    62   0.56750  1.0 1.0
   39    51    53    62  -0.07550 -1.0 2.0
   39    51    53    62   0.20000  1.0 3.0
   39    51    54    55  -0.11600  1.0 1.0
   39    51    54    55  -0.09450 -1.0 2.0
   39    51    54    55   0.21250  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.23400  1.0 3.0
   40    39    41    44   0.62750  1.0 1.0
   40    39    41    44  -0.30950 -1.0 2.0
   40    39    41    44   0.27300  1.0 3.0
   40    39    51    49   0.62750  1.0 1.0
   40    39    51    49  -0.30950 -1.0 2.0
   40    39    51    49   0.27300  1.0 3.0
   40    39    51    53  -0.26800  1.0 1.0
   40    39    51    53   0.69150 -1.0 2.0
   40    39    51    53  -0.48750  1.0 3.0
   40    39    51    54   3.69350  1.0 1.0
   40    39    51    54  -1.82950 -1.0 2.0
   41    39    51    49   0.56750  1.0 1.0
   41    39    51    49  -0.07550 -1.0 2.0
   41    39    51    49   0.20000  1.0 3.0
   41    39    51    53   0.47050  1.0 1.0
   41    39    51    53   0.03900 -1.0 2.0
   41    39    51    53   0.20100  1.0 3.0
   41    39    51    54   0.86500  1.0 1.0
   41    39    51    54  -0.17500 -1.0 2.0
   41    39    51    54   0.20800  1.0 3.0
   41    44    47    48   0.30150 -1.0 2.0
   41    44   -47    49   0.60050  1.0 1.0
   41    44   -47    49   0.05600 -1.0 2.0
   41    44   -47    49   0.26150  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47  -0.11250  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47  -0.11250  1.0 3.0
   44    47    49    50   0.00000  1.0 1.0
   44    47    49    51   0.60050  1.0 1.0
   44    47    49    51   0.05600 -1.0 2.0
   44    47    49    51   0.26150  1.0 3.0
   44    47    49    52   0.55300  1.0 1.0
   44    47    49    52   1.25850 -1.0 2.0
   44    47    49    52  -0.23600  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   46    44    47    48   0.00000  1.0 1.0
   46    44    47    49   0.00000  1.0 1.0
   47    49   -51    39  -0.95700  1.0 1.0
   47    49   -51    39  -0.18200 -1.0 2.0
   47    49   -51    39   0.29450  1.0 3.0
   47    49    51    53  -0.95700  1.0 1.0
   47    49    51    53  -0.18200 -1.0 2.0
   47    49    51    53   0.29450  1.0 3.0
   47    49    51    54  -0.09450  1.0 1.0
   47    49    51    54  -1.12950 -1.0 2.0
   47    49    51    54   0.54000  1.0 3.0
   47    49    52    56  -1.11000  1.0 1.0
   47    49    52    56   0.50250 -1.0 2.0
   47    49    52    56   0.47450  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    52   0.30150 -1.0 2.0
   49    51    53    60   0.07850  1.0 1.0
   49    51    53    60  -0.03950 -1.0 2.0
   49    51    53    60   0.67350  1.0 3.0
   49    51    53    66   0.02550  1.0 1.0
   49    51    53    66  -0.02600 -1.0 2.0
   49    51    53    66   1.20400  1.0 3.0
   49    51    53    62   0.56750  1.0 1.0
   49    51    53    62  -0.07550 -1.0 2.0
   49    51    53    62   0.20000  1.0 3.0
   49    51    54    55  -0.11600  1.0 1.0
   49    51    54    55  -0.09450 -1.0 2.0
   49    51    54    55   0.21250  1.0 3.0
   49    52    56    57   0.37050  1.0 3.0
   49    52    56    58   0.37050  1.0 3.0
   49    52    56    59   0.37050  1.0 3.0
   50    49    51    39   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.23400  1.0 3.0
   50    49    52    56   0.37050  1.0 3.0
   51    39    41    42   0.15000  1.0 3.0
   51    39    41    43   0.15000  1.0 3.0
   51    39   -41    44   0.56750  1.0 1.0
   51    39   -41    44  -0.07550 -1.0 2.0
   51    39   -41    44   0.20000  1.0 3.0
   51    49    52    56   0.06250  1.0 1.0
   51    49    52    56  -0.01100 -1.0 2.0
   51    49    52    56   0.28050  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53   -60    66   0.02550  1.0 1.0
   51    53   -60    66  -0.02600 -1.0 2.0
   51    53   -60    66   1.20400  1.0 3.0
   51    53    60    67   0.56750  1.0 1.0
   51    53    60    67  -0.07550 -1.0 2.0
   51    53    60    67   0.20000  1.0 3.0
   51    53   -66    60   0.06250  1.0 1.0
   51    53   -66    60  -0.01100 -1.0 2.0
   51    53   -66    60   0.28050  1.0 3.0
   51    53    62    63   0.15000  1.0 3.0
   51    53    62    64   0.15000  1.0 3.0
   51    53    62    65   0.15000  1.0 3.0
   53    51    54    55  -0.11600  1.0 1.0
   53    51    54    55  -0.09450 -1.0 2.0
   53    51    54    55   0.21250  1.0 3.0
   53    60    67    68   0.15000  1.0 3.0
   53    60    67    69   0.15000  1.0 3.0
   53    60    67    70   0.34400  1.0 1.0
   53    60    67    70   0.09450 -1.0 2.0
   53    60    67    70   0.11100  1.0 3.0
   60    53    62    63   0.15000  1.0 3.0
   60    53    62    64   0.15000  1.0 3.0
   60    53    62    65   0.15000  1.0 3.0
   60    67    70    71   0.00000  1.0 1.0
   60    67    70    72   0.09850  1.0 1.0
   60    67    70    72   0.15250 -1.0 2.0
   60    67    70    72  -0.50650  1.0 3.0
   61    60   -66    53   0.36800  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   66    53   -60    61   0.23400  1.0 3.0
   66    53   -60    67   0.02550  1.0 1.0
   66    53   -60    67  -0.02600 -1.0 2.0
   66    53   -60    67   1.20400  1.0 3.0
   66    53    62    63   0.23400  1.0 3.0
   66    53    62    64   0.23400  1.0 3.0
   66    53    62    65   0.23400  1.0 3.0
   66    60    67    68   0.23400  1.0 3.0
   66    60    67    69   0.23400  1.0 3.0
   66    60    67    70   0.61850  1.0 1.0
   66    60    67    70  -0.22750 -1.0 2.0
   66    60    67    70   0.15300  1.0 3.0
   67    60   -66    53   0.06250  1.0 1.0
   67    60   -66    53  -0.01100 -1.0 2.0
   67    60   -66    53   0.28050  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   62    53    60    61   0.15000  1.0 3.0
   62    53   -60    66   0.02550  1.0 1.0
   62    53   -60    66  -0.02600 -1.0 2.0
   62    53   -60    66   1.20400  1.0 3.0
   62    53    60    67   0.56750  1.0 1.0
   62    53    60    67  -0.07550 -1.0 2.0
   62    53    60    67   0.20000  1.0 3.0
   62    53   -66    60   0.06250  1.0 1.0
   62    53   -66    60  -0.01100 -1.0 2.0
   62    53   -66    60   0.28050  1.0 3.0
   54    51    53    60   0.86500  1.0 1.0
   54    51    53    60  -0.17500 -1.0 2.0
   54    51    53    60   0.20800  1.0 3.0
   54    51    53    66   3.69350  1.0 1.0
   54    51    53    66  -1.82950 -1.0 2.0
   54    51    53    62   0.86500  1.0 1.0
   54    51    53    62  -0.17500 -1.0 2.0
   54    51    53    62   0.20800  1.0 3.0
   52    49    51    39   0.62750  1.0 1.0
   52    49    51    39  -0.30950 -1.0 2.0
   52    49    51    39   0.27300  1.0 3.0
   52    49    51    53  -0.26800  1.0 1.0
   52    49    51    53   0.69150 -1.0 2.0
   52    49    51    53  -0.48750  1.0 3.0
   52    49    51    54   3.69350  1.0 1.0
   52    49    51    54  -1.82950 -1.0 2.0
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
   44    49    47    48  10.50000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
