* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    147    232     421
    1     0 S   NP   _N1_     1    29.18470    93.75156   -18.58283
    2     1 S   H    _HN1     2     1.02758    69.83512   -74.28733
    3     1 S   H    _H1_     3     1.03060   109.56758    28.52468
    4     1 S   H    _H2_     4     1.02826    39.53900   121.98342
    5     1 S   CT   _CA1     5     1.50173   136.45849  -175.66383
    6     5 S   HC   _HA1     6     1.09558   105.36298    24.25022
    7     5 S   CO3  _C1_     7     1.53854   112.14583   -96.15112
    8     7 S   O2Z  _O11     8     1.26365   115.07541   -46.75954
    9     7 S   O2Z  _O12     9     1.26246   114.87443   132.30577
   10     5 S   CT   _CB1    10     1.52955   107.23364   142.26240
   11    10 S   HC   HB11    11     1.09813   109.53351   -49.64205
   12    10 S   HC   HB12    12     1.09751   110.08899    66.81609
   13    10 S   CT   _CG1    13     1.53051   113.24293  -171.10704
   14    13 S   HC   HG11    14     1.09537   110.31612   -54.69525
   15    13 S   HC   HG12    15     1.09554   110.55778    64.76547
   16    13 S   C    _CD1    16     1.51794   110.80540  -175.33276
   17    16 S   O    _OE1    17     1.22831   122.70212   -26.41410
   18    16 S   N    _N2_    18     1.38558   112.33761   153.66153
   19    18 S   H    _HN2    19     1.01573   119.35986     3.88509
   20    18 S   CT1  _CA2    20     1.46260   122.89929  -172.23545
   21    20 S   HC   _HA2    21     1.09727   109.27406   -15.61572
   22    20 S   C    _C2_    22     1.53271   108.83604  -131.75806
   23    22 S   O    _O2_    23     1.23019   122.17067  -146.98036
   24    20 S   CT   _CB2    32     1.53729   111.26918   105.89485
   25    24 S   HC   HB21    33     1.09493   109.22140    60.49923
   26    24 S   HC   HB22    34     1.09514   110.31049   179.31643
   27    22 S   N    _N3_    24     1.38483   113.37179    40.45912
   28    27 S   H    _HN3    25     1.01537   118.89233    -0.63025
   29    24 S   S    _SG2    35     1.82886   111.57776   -60.30881
   30    27 S   CT   _CA3    26     1.45436   123.37763   175.06128
   31    30 S   HC   HA31    27     1.09530   109.14121    26.15679
   32    30 S   HC   HA32    28     1.09493   107.14814   143.14539
   33    29 S   CT   _C23    36     1.85037   100.83853   179.97202
   34    33 S   HC   _H3_    37     1.09704   106.41555    58.09926
   35    30 S   CO3  _C3_    29     1.52929   113.17787   -97.25107
   36    35 S   O2Z  _O31    30     1.26397   115.43592   -44.03960
   37    35 S   O2Z  _O32    31     1.26361   114.96448   136.90717
   38    33 S   CA   _C11    38     1.52231   110.72095   -60.56819
   39    33 S   CT   _C20    52     1.55010   109.07900   175.04330
   40    39 S   HC   _H40    53     1.09531   110.71561    63.28152
   41    38 S   CA   _C5_    39     1.41618   119.22497   116.85016
   42    41 S   HA   _H29    40     1.08795   120.08531    -0.05234
   43    39 S   CO4  _C16    54     1.51637   111.45788  -177.32687
   44    43 S   O    _O21    55     1.22183   125.65352   -74.84391
   45    41 S   CA   _C7_    41     1.39802   121.26652   180.00000
   46    45 S   HA   _H31    42     1.08406   120.86828   179.97202
   47    43 S   OS   _O26    56     1.36420   110.63651   105.07217
   48    45 S   CA   _C13    43     1.37766   117.73083    -0.06561
   49    47 S   CT   _C17    57     1.42557   109.75810    -2.44008
   50    49 S   HC   _H34    58     1.09566   108.06413   -98.07873
   51    49 S   HC   _H35    59     1.09405   109.53460   144.10135
   52    48 S   CA   _C15    44     1.37425   121.70068    -0.02798
   53    39 S   CT   _C21    60     1.53910   114.62353   -63.06189
   54    53 S   HC   _H41    61     1.09441   113.83965    25.68618
   55    38 S   CA   _C9_    45     1.40720   121.65276   -63.31755
   56    55 S   HA   _H33    46     1.08518   121.54978     0.19180
   57    52 S   OS   _O25    47     1.36092   112.35156   179.98022
   58    53 S   CT   _C22    62     1.54560   112.02177   149.10417
   59    58 S   HC   _H42    63     1.09816   109.83330   163.62466
   60    58 S   HC   _H43    64     1.09748   110.94612    47.21403
   61    57 S   CO   _C19    48     1.44193   100.96955     0.02798
   62    61 S   HC   _H38    49     1.09609   108.67461  -120.94429
   63    61 S   HC   _H39    50     1.09609   108.67848   120.89735
   64    58 S   CA   _C10    65     1.51317   112.44038   -76.60699
   65    48 S   OS   _O23    51     1.36066   125.91707   179.97202
   66    64 S   CA   _C4_    66     1.41303   120.55551   104.59531
   67    66 S   HA   _H28    67     1.08780   120.04910     0.67435
   68    66 S   CA   _C6_    68     1.39874   121.08482  -178.81700
   69    68 S   HA   _H30    69     1.08429   120.82566   179.45356
   70    68 S   CA   _C12    70     1.37827   117.75636    -0.34150
   71    70 S   CA   _C14    71     1.37460   121.64659     0.20367
   72    64 S   CA   _C8_    72     1.40442   119.98724   -74.50599
   73    72 S   HA   _H32    73     1.08508   121.19912    -0.77025
   74    71 S   OS   _O24    74     1.36068   112.38941   179.93744
   75    74 S   CO   _C18    75     1.44120   100.95672     0.25641
   76    75 S   HC   _H36    76     1.09591   108.68519  -121.47481
   77    75 S   HC   _H37    77     1.09608   108.70707   120.40081
   78    70 S   OS   _O22    78     1.36134   125.99858  -179.98022
  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   9   5   4   3
  17   7   2   1   1  13  15   7   8   4   8   3   7   3   6   8
   8   4   3   7   7   4   4   1   4   9   4   3   3   2   1   9
   1   8   4   7   3   8   7   4   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    39    40    43    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    55    56    39    40    43    44    47    49    53    54    58  
   38    41    55    39    40    43    53  
   36    37  
   37  
    0  
   41    42    45    46    48    52    55    56    57    39    40    43    53  
   40    43    44    47    49    50    51    53    54    58    59    60    64    41    55  
   43    44    47    49    53    54    58  
   42    45    46    48    52    55    56    65  
   45    46    48    55  
   44    47    49    50    51    53    54    58  
   47    49    53  
   46    48    52    55    57    61    65  
   48    52    65  
   49    50    51    53    54    58  
   52    55    56    57    61    62    63    65  
   50    51    53    54    58    59    60    64  
   51    53    54    58  
   53    54    58  
   55    56    57    61    62    63    65  
   54    58    59    60    64    66    72  
   58    59    60    64  
   56    57    61    65  
   57  
   61    62    63    65  
   59    60    64    66    67    68    71    72    73  
   60    64    66    72  
   64    66    72  
   62    63    65  
   63    65  
   65  
   66    67    68    69    70    71    72    73    74  
    0  
   67    68    69    70    71    72    73    78  
   68    69    70    72  
   69    70    71    72    74    75    78  
   70    71    78  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    78  
   74  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    55   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    52   469.000  1.400
   48    65   450.000  1.364
   52    55   469.000  1.400
   52    57   450.000  1.364
   55    56   367.000  1.080
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   320.000  1.380
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    53   268.000  1.529
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    66   469.000  1.400
   64    72   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    78   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   74    75   320.000  1.380
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.380
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    55    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    53    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    55    52    63.00000  120.00000
   38    55    56    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    52    63.00000  120.00000
   45    48    65    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    55    63.00000  120.00000
   48    52    57    70.00000  120.00000
   48    65    61   100.00000  112.36700
   52    55    56    35.00000  120.00000
   52    57    61   100.00000  112.36700
   55    38    41    63.00000  120.00000
   57    52    55    70.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    65    92.60000  111.55000
   63    61    62    33.00000  109.50000
   65    48    52    70.00000  120.00000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    81.00000  111.40000
   39    53    49    58.35000  112.70000
   39    53    54    37.50000  110.70000
   39    53    58    58.35000  112.70000
   43    39    40    35.00000  109.50000
   43    47    49    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    53    50.00000  109.50000
   49    53    54    37.50000  110.70000
   49    53    58    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    39    40    37.50000  110.70000
   53    39    43    63.00000  111.10000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    64    70.00000  112.17500
   58    53    54    37.50000  110.70000
   58    64    66    70.00000  120.00000
   58    64    72    70.00000  120.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   64    72    71    63.00000  120.00000
   64    72    73    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    78    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    78    75   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    74    75   100.00000  112.36700
   72    64    66    63.00000  120.00000
   74    71    72    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    92.60000  111.55000
   77    75    76    33.00000  109.50000
   78    70    71    70.00000  120.00000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    55  -0.16000  1.0 1.0
   29    33    38    55  -0.03200 -1.0 2.0
   29    33    38    55   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    53   0.44750  1.0 1.0
   29    33    39    53  -0.17800 -1.0 2.0
   29    33    39    53   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    38    55    56   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.36750  1.0 3.0
   33    39    53    49   0.56750  1.0 1.0
   33    39    53    49  -0.07550 -1.0 2.0
   33    39    53    49   0.20000  1.0 3.0
   33    39    53    54   0.15000  1.0 3.0
   33    39    53    58   0.56750  1.0 1.0
   33    39    53    58  -0.07550 -1.0 2.0
   33    39    53    58   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    53   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    53  -0.03700  1.0 1.0
   38    33    39    53   0.37200 -1.0 2.0
   38    33    39    53  -0.47300  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    55    52   3.62500 -1.0 2.0
   41    38    55    56   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   41    45    48    65   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    55   3.62500 -1.0 2.0
   45    48    52    57   3.62500 -1.0 2.0
   45    48    65    61   1.63200 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   46    45    48    65   3.62500 -1.0 2.0
   48    52   -55    38   3.62500 -1.0 2.0
   48    52    55    56   3.62500 -1.0 2.0
   48    52   -57    61   1.63200 -1.0 2.0
   52    48   -65    61   1.63200 -1.0 2.0
   52    57    61    62   0.08050  1.0 3.0
   52    57    61    63   0.08050  1.0 3.0
   52    57   -61    65  -0.25600  1.0 1.0
   52    57   -61    65  -0.40050 -1.0 2.0
   52    57   -61    65   0.34700  1.0 3.0
   55    38    41    42   3.62500 -1.0 2.0
   55    38   -41    45   3.62500 -1.0 2.0
   55    52    57    61   1.63200 -1.0 2.0
   57    52    55    38   3.62500 -1.0 2.0
   57    52    55    56   3.62500 -1.0 2.0
   57    61   -65    48  -0.25600  1.0 1.0
   57    61   -65    48  -0.40050 -1.0 2.0
   57    61   -65    48   0.34700  1.0 3.0
   62    61    65    48   0.08050  1.0 3.0
   63    61    65    48   0.08050  1.0 3.0
   65    48    52    55   3.62500 -1.0 2.0
   65    48   -52    57   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    55   0.04150 -1.0 2.0
   39    43   -47    49   1.63150  1.0 1.0
   39    43   -47    49   2.92000 -1.0 2.0
   39    53    58    59   0.15000  1.0 3.0
   39    53    58    60   0.15000  1.0 3.0
   39    53    58    64  -0.03700  1.0 1.0
   39    53    58    64   0.37200 -1.0 2.0
   39    53    58    64  -0.47300  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    53    49   0.15000  1.0 3.0
   40    39    53    54   0.15000  1.0 3.0
   40    39    53    58   0.15000  1.0 3.0
   43    39   -53    49  -0.95700  1.0 1.0
   43    39   -53    49  -0.18200 -1.0 2.0
   43    39   -53    49   0.29450  1.0 3.0
   43    39    53    54  -0.11250  1.0 3.0
   43    39    53    58  -0.95700  1.0 1.0
   43    39    53    58  -0.18200 -1.0 2.0
   43    39    53    58   0.29450  1.0 3.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    51   0.08050  1.0 3.0
   43    47   -49    53  -0.25900  1.0 1.0
   43    47   -49    53  -0.47000 -1.0 2.0
   43    47   -49    53   0.11750  1.0 3.0
   44    43    47    49   3.00000 -1.0 2.0
   47    49   -53    39   0.62750  1.0 1.0
   47    49   -53    39  -0.30950 -1.0 2.0
   47    49   -53    39   0.27300  1.0 3.0
   47    49    53    54   0.23400  1.0 3.0
   47    49    53    58   0.62750  1.0 1.0
   47    49    53    58  -0.30950 -1.0 2.0
   47    49    53    58   0.27300  1.0 3.0
   49    53    58    59   0.15000  1.0 3.0
   49    53    58    60   0.15000  1.0 3.0
   49    53    58    64  -0.03700  1.0 1.0
   49    53    58    64   0.37200 -1.0 2.0
   49    53    58    64  -0.47300  1.0 3.0
   50    49    53    39   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    39   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    39    43    44   0.30150 -1.0 2.0
   53    39   -43    47   0.36750  1.0 3.0
   53    58    64    66   0.04150 -1.0 2.0
   53    58    64    72   0.04150 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    64   0.43200  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   58    64    72    71   3.62500 -1.0 2.0
   58    64    72    73   3.62500 -1.0 2.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    64    72   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    72   0.00000  1.0 1.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   66    64    72    71   3.62500 -1.0 2.0
   66    64    72    73   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    78   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    78    75   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    78   3.62500 -1.0 2.0
   70    71   -72    64   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71   -74    75   1.63200 -1.0 2.0
   71    70   -78    75   1.63200 -1.0 2.0
   71    74    75    76   0.08050  1.0 3.0
   71    74    75    77   0.08050  1.0 3.0
   71    74   -75    78  -0.25600  1.0 1.0
   71    74   -75    78  -0.40050 -1.0 2.0
   71    74   -75    78   0.34700  1.0 3.0
   72    64    66    67   3.62500 -1.0 2.0
   72    64   -66    68   3.62500 -1.0 2.0
   72    71    74    75   1.63200 -1.0 2.0
   74    71    72    64   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    75   -78    70  -0.25600  1.0 1.0
   74    75   -78    70  -0.40050 -1.0 2.0
   74    75   -78    70   0.34700  1.0 3.0
   76    75    78    70   0.08050  1.0 3.0
   77    75    78    70   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    74   3.62500 -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
   37    30    35    36  10.50000 -1.0 2.0
   41    55    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    65    48    45   4.00000 -1.0 2.0
   55    57    52    48   4.00000 -1.0 2.0
   52    56    55    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   66    72    64    58   4.00000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    78    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   71    73    72    64   1.10000 -1.0 2.0
END
