* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    220     418
    1     0 S   NP   _N1_     1    29.08433    95.70488   -19.49922
    2     1 S   H    _HN1     2     1.02786    74.33817   -76.33553
    3     1 S   H    _H1_     3     1.02954    89.95077    32.67028
    4     1 S   H    _H2_     4     1.02841    45.31846   147.21688
    5     1 S   CT   _CA1     5     1.50080   153.86444   175.20458
    6     5 S   HC   _HA1     6     1.09589   105.25140    38.49891
    7     5 S   CO3  _C1_     7     1.53796   112.18305   -81.56551
    8     7 S   O2Z  _O11     8     1.26335   115.10555   -51.95545
    9     7 S   O2Z  _O12     9     1.26233   114.85443   127.18932
   10     5 S   CT   _CB1    10     1.53096   107.40486   156.10421
   11    10 S   HC   HB11    11     1.09818   109.30725   -52.87009
   12    10 S   HC   HB12    12     1.09818   110.49868    63.67025
   13    10 S   CT   _CG1    13     1.52951   112.53712  -174.05110
   14    13 S   HC   HG11    14     1.09518   110.19800   -62.50162
   15    13 S   HC   HG12    15     1.09638   110.15775    56.66960
   16    13 S   C    _CD1    16     1.51746   112.34972   177.03258
   17    16 S   O    _OE1    17     1.22732   123.25163    -8.53672
   18    16 S   N    _N2_    18     1.38629   111.63316   171.99837
   19    18 S   H    _HN2    19     1.01607   119.02689     1.10995
   20    18 S   CT1  _CA2    20     1.46211   123.36811  -179.94405
   21    20 S   HC   _HA2    21     1.09735   109.33730    -9.78502
   22    20 S   C    _C2_    22     1.53421   108.55778  -125.36971
   23    22 S   O    _O2_    23     1.23037   122.33591  -149.40412
   24    20 S   CT   _CB2    32     1.53511   111.44069   112.25486
   25    24 S   HC   HB21    33     1.09345   109.26083    56.42738
   26    24 S   HC   HB22    34     1.09467   110.00055   174.98558
   27    22 S   N    _N3_    24     1.38351   113.53602    38.15596
   28    27 S   H    _HN3    25     1.01643   119.48107    -3.74763
   29    24 S   S    _SG2    35     1.83122   111.15020   -65.36746
   30    27 S   CT   _CA3    26     1.45290   123.12179   176.97638
   31    30 S   HC   HA31    27     1.09553   107.52352   -63.56955
   32    30 S   HC   HA32    28     1.09558   107.94351    52.83061
   33    29 S   CT   _C17    36     1.84927   101.75922   171.71051
   34    30 S   CO3  _C3_    29     1.52933   114.14552   174.77880
   35    34 S   O2Z  _O31    30     1.26367   116.05611    -1.90814
   36    34 S   O2Z  _O32    31     1.26436   114.41821   178.15157
   37    33 S   CT   _C16    37     1.56838   112.08655   -69.46502
   38    37 S   HC   _H35    38     1.09660   107.43575    53.01099
   39    33 S   CT   _C18    76     1.54112   105.88439   166.59576
   40    39 S   HC   _H36    77     1.09780   111.34448   -64.01882
   41    39 S   HC   _H37    78     1.09581   111.50736   177.53534
   42    39 S   HC   _H38    79     1.09519   112.61900    56.71540
   43    37 S   CT   _C15    39     1.57505   113.43176   170.31657
   44    43 S   HC   _H34    40     1.09928   108.11342    75.68891
   45    37 S   CO4  _C13    66     1.52396   112.79138   -64.26501
   46    45 S   O    _O21    67     1.22369   124.61276   -71.14199
   47    43 S   CA   _C8_    41     1.53176   110.92612  -166.37051
   48    43 S   CM   _C10    56     1.49722   110.20680   -39.46755
   49    45 S   OS   _O24    68     1.36460   109.61349   110.01777
   50    47 S   CA   _C6_    42     1.40788   117.82214  -109.15168
   51    50 S   HA   _H30    43     1.08791   120.42535    -0.67144
   52    48 S   CM   _C11    57     1.33034   123.61651    13.46693
   53    49 S   CT   _C20    69     1.43557   116.27146   177.86962
   54    53 S   HC   _H42    70     1.09558   110.81288   -40.01742
   55    53 S   HC   _H43    71     1.09472   108.61050    80.40876
   56    50 S   CA   _C4_    44     1.39314   121.04288   179.04182
   57    56 S   HA   _H28    45     1.08610   120.04489  -179.93147
   58    52 S   CT   _C14    58     1.47078   111.74073  -178.89252
   59    58 S   HC   _H32    59     1.09377   112.53753   116.49028
   60    58 S   HC   _H33    60     1.09377   112.60164  -118.34324
   61    33 S   NE   _N19    64     1.46457   109.31042    51.36688
   62    61 S   H    _H45    65     1.01452   118.65374    37.46903
   63    53 S   CT   _C19    72     1.51568   108.01755  -159.97934
   64    63 S   HC   _H39    73     1.09449   110.81673   -57.64135
   65    63 S   HC   _H40    74     1.09517   110.47065    60.47931
   66    63 S   HC   _H41    75     1.09336   110.90124  -178.82597
   67    56 S   CA   _C5_    46     1.38947   119.82719    -0.13706
   68    67 S   HA   _H29    47     1.08647   119.94280  -179.73681
   69    58 S   OS   _O22    61     1.43530   103.28288    -0.95716
   70    67 S   CA   _C7_    48     1.39562   120.16079     0.11869
   71    70 S   HA   _H31    49     1.08571   117.39981  -179.43490
   72    48 S   CO4  _C12    62     1.46198   129.76267  -166.93767
   73    72 S   O    _O20    63     1.21819   126.00979    -1.36229
   74    47 S   CA   _C9_    50     1.41391   123.40884    69.91860
   75    74 S   OS   _O23    51     1.37099   116.36517     0.80064
   76    75 S   CTHO _C21    52     1.41709   117.99369   173.37623
   77    76 S   F    _F25    53     1.35542   109.17020    72.38050
   78    76 S   F    _F26    54     1.35787   107.17389  -172.60649
   79    76 S   HC   _H44    55     1.09527   113.67994   -52.54316
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  13  11
   7   8   4   8   6   5   4   6   3   7   4   3   3   1   3   2
   1   1   5   3   2   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    58    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    74    48    52    72    61    62    45    46    49    53    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    56    70    74    75    48    52    58    69    72    73    61    45    46    49  
   47    50    74    48    52    72    45  
   46    49    53    54    55    63    47    48    61  
   49    53  
   50    51    56    57    67    70    71    74    75    76    48    52    72  
   52    58    59    60    69    72    73    61    62    50    74  
   53    54    55    63    64    65    66  
   51    56    57    67    68    70    74    75  
   56    57    67    74  
   58    59    60    69    72    73    61    62  
   54    55    63    64    65    66  
   55    63    64    65    66  
   63    64    65    66  
   57    67    68    70    71    74  
   67    68    70  
   59    60    69    72    73    61    62  
   60    69    72    61  
   69    72    61  
   62    69    72  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    70    71    74    75  
   70    71    74  
   72    73  
   71    74    75    76  
   74    75  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   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   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    61   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    74   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   450.000  1.364
   75    76   470.000  1.351
   76    77   455.000  1.355
   76    78   455.000  1.355
   76    79   375.000  1.089
   48    52   549.000  1.340
   48    72   320.000  1.462
   52    58   317.000  1.510
   52    61   425.000  1.378
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   320.000  1.410
   69    72   214.000  1.327
   72    73   570.000  1.229
   61    62   434.000  1.010
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    61    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    61    52    50.00000  121.00000
   33    61    62    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    74    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    72    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    56    63.00000  120.00000
   47    74    70    63.00000  120.00000
   47    74    75    70.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    67    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    67    68    35.00000  120.00000
   56    67    70    63.00000  120.00000
   67    56    57    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    74    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    74    75    70.00000  120.00000
   74    47    50    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    75    76    90.00000  114.16000
   75    76    77   110.00000  110.36100
   75    76    78   110.00000  110.36100
   75    76    79    60.00000  110.43500
   78    76    77   110.00000  107.78700
   79    76    77    55.00000  109.56900
   79    76    78    55.00000  109.56900
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    58    70.00000  124.00000
   48    52    61    70.00000  124.03900
   48    72    69    90.00000  111.29400
   48    72    73    80.00000  123.72100
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    69    85.00000  110.90400
   52    61    62    35.00000  114.50000
   58    69    72    83.00000  116.90000
   60    58    59    33.00000  107.80000
   69    58    59    35.00000  109.50000
   69    58    60    35.00000  109.50000
   69    72    73    83.00000  123.40000
   72    48    52    65.00000  118.96000
   61    33    37    80.00000  111.61500
   61    52    58    75.00000  116.24600
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    53    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    63    50.00000  109.50000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    66    37.50000  110.70000
   55    53    54    33.00000  107.80000
   63    53    54    37.50000  110.70000
   63    53    55    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    74   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    72   0.09700  1.0 1.0
   37    43    48    72   0.15600 -1.0 2.0
   37    43    48    72  -0.50800  1.0 3.0
   37    45    49    53   1.63150  1.0 1.0
   37    45    49    53   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    56   3.62500 -1.0 2.0
   43    47    74    70   3.62500 -1.0 2.0
   43    47    74    75   3.62500 -1.0 2.0
   43    48    52    58   7.00000 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    72    69  -0.15000  1.0 1.0
   43    48    72    69   0.89550 -1.0 2.0
   43    48    72    69  -0.06900  1.0 3.0
   43    48    72    73  -0.64400  1.0 1.0
   43    48    72    73   0.26850 -1.0 2.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    74   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    72   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    72   0.09700  1.0 1.0
   47    43    48    72   0.15600 -1.0 2.0
   47    43    48    72  -0.50800  1.0 3.0
   47    50    56    57   3.62500 -1.0 2.0
   47    50    56    67   3.62500 -1.0 2.0
   47    74    75    76   1.11600 -1.0 2.0
   50    47    74    70   3.62500 -1.0 2.0
   50    47    74    75   3.62500 -1.0 2.0
   50    56    67    68   3.62500 -1.0 2.0
   50    56   -67    70   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    67   3.62500 -1.0 2.0
   56    67    70    71   3.62500 -1.0 2.0
   56    67    70    74   3.62500 -1.0 2.0
   57    56    67    68   3.62500 -1.0 2.0
   57    56    67    70   3.62500 -1.0 2.0
   67    70   -74    47   3.62500 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   68    67    70    74   3.62500 -1.0 2.0
   70    74    75    76   1.11600 -1.0 2.0
   71    70    74    47   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    47    50    51   3.62500 -1.0 2.0
   74    47   -50    56   3.62500 -1.0 2.0
   74    75    76    77   0.73750  1.0 1.0
   74    75    76    77  -2.02850 -1.0 2.0
   74    75    76    77   0.37850  1.0 3.0
   74    75    76    78   0.73750  1.0 1.0
   74    75    76    78  -2.02850 -1.0 2.0
   74    75    76    78   0.37850  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    74   0.18050 -1.0 2.0
   48    52    58    59   0.00000  1.0 1.0
   48    52    58    60   0.00000  1.0 1.0
   48    52   -58    69   0.39000  1.0 1.0
   48    52   -58    69  -0.05800 -1.0 2.0
   48    52   -58    69  -0.55150  1.0 3.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   52    48   -72    69  -0.56150  1.0 1.0
   52    48   -72    69   2.19150 -1.0 2.0
   52    48    72    73   1.00000 -1.0 2.0
   52    58   -69    72  -0.82050  1.0 1.0
   52    58   -69    72   0.00600 -1.0 2.0
   52    58   -69    72   0.04400  1.0 3.0
   58    52    61    33   1.00000 -1.0 2.0
   58    52    61    62   2.40850 -1.0 2.0
   58    69   -72    48   2.00000 -1.0 2.0
   58    69    72    73   3.00000 -1.0 2.0
   59    58    69    72   0.08050  1.0 3.0
   60    58    69    72   0.08050  1.0 3.0
   72    48   -52    58   7.00000 -1.0 2.0
   72    48    52    61   7.00000 -1.0 2.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    58    59  -0.18050  1.0 3.0
   61    52    58    60  -0.18050  1.0 3.0
   61    52    58    69   0.09700  1.0 1.0
   61    52    58    69   0.15600 -1.0 2.0
   61    52    58    69  -0.50800  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    53    54   0.08050  1.0 3.0
   45    49    53    55   0.08050  1.0 3.0
   45    49    53    63  -0.25900  1.0 1.0
   45    49    53    63  -0.47000 -1.0 2.0
   45    49    53    63   0.11750  1.0 3.0
   46    45    49    53   3.00000 -1.0 2.0
   49    53    63    64   0.23400  1.0 3.0
   49    53    63    65   0.23400  1.0 3.0
   49    53    63    66   0.23400  1.0 3.0
   54    53    63    64   0.15000  1.0 3.0
   54    53    63    65   0.15000  1.0 3.0
   54    53    63    66   0.15000  1.0 3.0
   55    53    63    64   0.15000  1.0 3.0
   55    53    63    65   0.15000  1.0 3.0
   55    53    63    66   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   50    74    47    43   4.00000 -1.0 2.0
   56    51    50    47   1.10000 -1.0 2.0
   67    57    56    50   1.10000 -1.0 2.0
   70    68    67    56   1.10000 -1.0 2.0
   74    71    70    67   1.10000 -1.0 2.0
   70    75    74    47   4.00000 -1.0 2.0
   43    72    48    52   1.10000 -1.0 2.0
   58    61    52    48   1.10000 -1.0 2.0
   48    69    72    73  10.50000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
