* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    140    223     411
    1     0 S   NP   _N1_     1    31.70972   100.97474   -22.13154
    2     1 S   H    _HN1     2     1.03315    88.13709   -64.06671
    3     1 S   H    _H1_     3     1.02803    23.70200   144.85768
    4     1 S   H    _H2_     4     1.02806   126.60829  -173.83601
    5     1 S   CT   _CA1     5     1.49965   110.40456    47.53756
    6     5 S   HC   _HA1     6     1.09327   104.63940  -150.98042
    7     5 S   CO3  _C1_     7     1.53725   112.48920    89.84996
    8     7 S   O2Z  _O11     8     1.26326   115.33515   -53.38132
    9     7 S   O2Z  _O12     9     1.26282   114.70803   125.49979
   10     5 S   CT   _CB1    10     1.53347   107.44987   -32.65084
   11    10 S   HC   HB11    11     1.09791   109.80686   -45.04082
   12    10 S   HC   HB12    12     1.09763   109.65650    71.57370
   13    10 S   CT   _CG1    13     1.53046   113.51098  -167.35177
   14    13 S   HC   HG11    14     1.09666   109.52585  -164.58681
   15    13 S   HC   HG12    15     1.09269   111.52374   -46.71652
   16    13 S   C    _CD1    16     1.51451   111.13065    77.51977
   17    16 S   O    _OE1    17     1.22903   121.50717    79.04803
   18    16 S   N    _N2_    18     1.38232   113.40058   -98.79967
   19    18 S   H    _HN2    19     1.01682   119.13531     0.60587
   20    18 S   CT1  _CA2    20     1.46337   123.27871   176.80751
   21    20 S   HC   _HA2    21     1.09760   109.57177    10.68500
   22    20 S   C    _C2_    22     1.53423   107.66024  -104.75593
   23    22 S   O    _O2_    23     1.23006   122.61040  -131.89681
   24    20 S   CT   _CB2    32     1.53243   111.31778   132.83278
   25    24 S   HC   HB21    33     1.09450   109.75743    53.87110
   26    24 S   HC   HB22    34     1.09480   110.35701   172.66762
   27    22 S   N    _N3_    24     1.38574   113.36605    53.91816
   28    27 S   H    _HN3    25     1.01593   119.54478     0.32203
   29    24 S   S    _SG2    35     1.82897   110.74434   -68.42942
   30    27 S   CT   _CA3    26     1.45372   123.05665   178.05328
   31    30 S   HC   HA31    27     1.09530   107.16552   -77.52105
   32    30 S   HC   HA32    28     1.09566   108.44067    38.98356
   33    29 S   CT   _C14    36     1.86233   100.93849   153.73307
   34    33 S   OM   _O34    37     1.32228   109.36368   179.72446
   35    30 S   CO3  _C3_    29     1.52918   114.34940   161.56537
   36    35 S   O2Z  _O31    30     1.26413   116.29758     8.54194
   37    35 S   O2Z  _O32    31     1.26397   114.52272  -170.87299
   38    33 S   CT   _C6_    38     1.58683   109.98293    61.34093
   39    38 S   HC   _H3_    39     1.09795   107.37257   -64.45510
   40    33 S   OS   _O35    62     1.45494   112.80959   -54.50909
   41    38 S   CT   _C7_    40     1.55325   115.90951    56.90845
   42    41 S   HC   _H8_    41     1.09786   110.26473    67.78233
   43    41 S   HC   _H9_    42     1.09540   111.43049   -49.45245
   44    38 S   N    _N4_    54     1.47984   110.10929  -178.64969
   45    44 S   H    _H7_    55     1.01522   116.13418   -52.40492
   46    40 S   CA   _C15    63     1.36703   124.42513   -52.80149
   47    41 S   CA   _C8_    43     1.51338   113.13589  -169.93213
   48    44 S   C    _C5_    56     1.38170   124.21515   126.86529
   49    48 S   O    _O33    57     1.22767   125.87322     0.33862
   50    46 S   CA   _C16    64     1.39691   114.20730   162.04400
   51    50 S   HA   _H15    65     1.08759   120.04415     0.00000
   52    46 S   CA   _C24    78     1.39554   126.75707   -18.52629
   53    52 S   HA   _H21    79     1.08571   120.83604    -0.98893
   54    47 S   CA   _C9_    44     1.40149   120.59639  -103.01817
   55    54 S   HA   _H10    45     1.08707   120.36981    -0.38001
   56    48 S   CT   _C4_    58     1.50439   112.20551   179.50386
   57    56 S   HC   _H4_    59     1.09378   110.22438    50.64471
   58    56 S   HC   _H5_    60     1.09346   109.70733   170.30947
   59    56 S   HC   _H6_    61     1.09350   109.49600   -69.87988
   60    50 S   CA   _C17    66     1.39515   120.78724  -179.00201
   61    60 S   HA   _H16    67     1.08790   118.83510   178.85585
   62    54 S   CA   _C10    46     1.39566   120.42158   179.24334
   63    62 S   HA   _H11    47     1.08616   119.92960  -179.86012
   64    60 S   CA   _C18    68     1.40068   120.55384    -0.24389
   65    62 S   CA   _C11    48     1.39371   120.07879     0.00000
   66    65 S   HA   _H12    49     1.08607   120.02482  -179.90513
   67    64 S   CA   _C19    69     1.40431   121.41681   178.79066
   68    67 S   HA   _H17    70     1.08806   120.48222    -0.23070
   69    65 S   CA   _C12    50     1.39364   119.96079    -0.02798
   70    69 S   HA   _H13    51     1.08616   120.01764  -179.83929
   71    67 S   CA   _C20    71     1.39476   120.64355  -179.74207
   72    71 S   HA   _H18    72     1.08615   119.93517   179.75772
   73    47 S   CA   _C13    52     1.40184   120.36205    76.19466
   74    73 S   HA   _H14    53     1.08708   120.30303     0.49968
   75    71 S   CA   _C21    73     1.39150   119.99270    -0.16432
   76    75 S   HA   _H19    74     1.08617   120.02838  -179.98022
   77    75 S   CA   _C22    75     1.39542   120.02795     0.19281
   78    77 S   HA   _H20    76     1.08809   118.78707   179.67195
   79    64 S   CA   _C23    77     1.41330   119.11700    -0.80746
  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   8   5   4   3
  14   6   2   1   1  14   8   9  12   5   4   8   3   9   9   5
   4   8   4   8   3   8   4   3   2   1   1   7   3   6   3   8
   5   3   7   4   3   2   6   3   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    44    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    44    45    48    40    46    50    52  
   38    39    41    44    40    46  
   36    37  
   37  
    0  
   39    41    42    43    47    54    73    44    45    48    49    56    40    46  
   41    42    43    47    44    45    48    40  
   46    50    51    60    79    52    53    41    44  
   42    43    47    54    55    62    69    73    74    44    45    48  
   43    47    54    73    44  
   47    54    73    44  
   45    48    49    56    57    58    59    47  
   48    49    56  
   50    51    60    61    64    77    79    52    53  
   54    55    62    63    65    69    70    73    74  
   49    56    57    58    59  
   56    57    58    59  
   51    60    61    64    67    79    52    53  
   60    61    64    52  
   53    60    64    67    75    77    78    79  
   64    77    79  
   55    62    63    65    66    69    73    74  
   62    63    65    73  
   57    58    59  
   58    59  
   59  
    0  
   61    64    67    68    71    77    79  
   64    67    79  
   63    65    66    69    70    73  
   65    66    69  
   67    68    71    72    75    77    78    79  
   66    69    70    73    74  
   69    70    73  
   68    71    72    75    76    77    79  
   71    72    75    79  
   70    73    74  
   73    74  
   72    75    76    77    78    79  
   75    76    77  
   74  
    0  
   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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.005000   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    44   337.000  1.449
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    54   469.000  1.400
   47    73   469.000  1.400
   54    55   367.000  1.080
   54    62   469.000  1.400
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   44    45   434.000  1.010
   44    48   490.000  1.335
   48    49   570.000  1.229
   48    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    46   450.000  1.364
   46    50   469.000  1.400
   46    52   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    67   469.000  1.400
   64    79   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    52   469.000  1.400
   52    53   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    44    70.00000  110.72300
   33    40    46    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    47    70.00000  112.17500
   38    44    45    38.00000  118.40000
   38    44    48    50.00000  121.90000
   41    38    39    37.50000  110.70000
   41    47    54    70.00000  120.00000
   41    47    73    70.00000  120.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    54    55    35.00000  120.00000
   47    54    62    63.00000  120.00000
   47    73    69    63.00000  120.00000
   47    73    74    35.00000  120.00000
   54    62    63    35.00000  120.00000
   54    62    65    63.00000  120.00000
   62    54    55    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    69    63.00000  120.00000
   65    62    63    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    73    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    73    74    35.00000  120.00000
   73    47    54    63.00000  120.00000
   73    69    70    35.00000  120.00000
   44    38    39    35.00000  109.50000
   44    38    41    70.00000  110.72300
   44    48    49    80.00000  122.90000
   44    48    56    70.00000  116.60000
   48    44    45    35.00000  119.80000
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    59    35.00000  109.50000
   56    48    49    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    46    50    70.00000  120.00000
   40    46    52    70.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    60    63.00000  120.00000
   46    52    79    63.00000  120.00000
   46    52    53    35.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    64    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    64    67    63.00000  120.00000
   60    64    79    63.00000  120.00000
   64    60    61    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    71    63.00000  120.00000
   64    79    77    63.00000  120.00000
   64    79    52    63.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    75    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    52    63.00000  120.00000
   79    64    67    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    52    53    35.00000  120.00000
   52    46    50    63.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    46   0.14700  1.0 1.0
   29    33    40    46  -1.16150 -1.0 2.0
   29    33    40    46   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    47  -0.03700  1.0 1.0
   33    38    41    47   0.37200 -1.0 2.0
   33    38    41    47  -0.47300  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    48  -0.43950  1.0 1.0
   33    38    44    48  -0.08100 -1.0 2.0
   33    38    44    48   0.03350  1.0 3.0
   33    40    46    50   1.63200 -1.0 2.0
   33    40    46    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    44   1.12100  1.0 1.0
   34    33    38    44  -0.16500 -1.0 2.0
   34    33    40    46  -0.25600  1.0 1.0
   34    33    40    46  -0.40050 -1.0 2.0
   34    33    40    46   0.34700  1.0 3.0
   38    33    40    46  -0.32850  1.0 1.0
   38    33    40    46  -0.35800 -1.0 2.0
   38    33    40    46   0.33950  1.0 3.0
   38    41    47    54   0.04150 -1.0 2.0
   38    41    47    73   0.04150 -1.0 2.0
   38    44    48    49   3.04450 -1.0 2.0
   38    44    48    56   1.49850  1.0 1.0
   38    44    48    56   1.53950 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    47   0.43200  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   41    38    44    45   0.00000  1.0 1.0
   41    38    44    48  -0.43950  1.0 1.0
   41    38    44    48  -0.08100 -1.0 2.0
   41    38    44    48   0.03350  1.0 3.0
   41    47    54    55   3.62500 -1.0 2.0
   41    47    54    62   3.62500 -1.0 2.0
   41    47    73    69   3.62500 -1.0 2.0
   41    47    73    74   3.62500 -1.0 2.0
   42    41    47    54   0.00000  1.0 1.0
   42    41    47    73   0.00000  1.0 1.0
   43    41    47    54   0.00000  1.0 1.0
   43    41    47    73   0.00000  1.0 1.0
   47    54    62    63   3.62500 -1.0 2.0
   47    54    62    65   3.62500 -1.0 2.0
   54    47    73    69   3.62500 -1.0 2.0
   54    47    73    74   3.62500 -1.0 2.0
   54    62    65    66   3.62500 -1.0 2.0
   54    62   -65    69   3.62500 -1.0 2.0
   55    54    62    63   3.62500 -1.0 2.0
   55    54    62    65   3.62500 -1.0 2.0
   62    65    69    70   3.62500 -1.0 2.0
   62    65    69    73   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    69   -73    47   3.62500 -1.0 2.0
   65    69    73    74   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    73   3.62500 -1.0 2.0
   70    69    73    47   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    47    54    55   3.62500 -1.0 2.0
   73    47   -54    62   3.62500 -1.0 2.0
   44    38    41    42   0.15000  1.0 3.0
   44    38    41    43   0.15000  1.0 3.0
   44    38    41    47   0.08550  1.0 1.0
   44    38    41    47   1.07500 -1.0 2.0
   44    38    41    47  -0.10950  1.0 3.0
   44    48    56    57   0.00000  1.0 1.0
   44    48    56    58   0.00000  1.0 1.0
   44    48    56    59   0.00000  1.0 1.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    56   2.45000 -1.0 2.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    58   0.00000  1.0 1.0
   49    48    56    59   0.00000  1.0 1.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    44   1.12100  1.0 1.0
   40    33    38    44  -0.16500 -1.0 2.0
   40    46    50    51   3.62500 -1.0 2.0
   40    46    50    60   3.62500 -1.0 2.0
   40    46    52    79   3.62500 -1.0 2.0
   40    46    52    53   3.62500 -1.0 2.0
   46    50    60    61   3.62500 -1.0 2.0
   46    50    60    64   3.62500 -1.0 2.0
   50    46    52    79   3.62500 -1.0 2.0
   50    46    52    53   3.62500 -1.0 2.0
   50    60    64    67   3.62500 -1.0 2.0
   50    60   -64    79   3.62500 -1.0 2.0
   51    50    60    61   3.62500 -1.0 2.0
   51    50    60    64   3.62500 -1.0 2.0
   60    64    67    68   3.62500 -1.0 2.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64    79    77   3.62500 -1.0 2.0
   60    64    79    52   3.62500 -1.0 2.0
   61    60    64    67   3.62500 -1.0 2.0
   61    60    64    79   3.62500 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    75   3.62500 -1.0 2.0
   64    79   -52    46   3.62500 -1.0 2.0
   64    79    52    53   3.62500 -1.0 2.0
   67    64    79    77   3.62500 -1.0 2.0
   67    64    79    52   3.62500 -1.0 2.0
   67    71    75    76   3.62500 -1.0 2.0
   67    71   -75    77   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    75   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75    77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77   -79    64   3.62500 -1.0 2.0
   75    77    79    52   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79    52    46   3.62500 -1.0 2.0
   77    79    52    53   3.62500 -1.0 2.0
   78    77    79    64   3.62500 -1.0 2.0
   78    77    79    52   3.62500 -1.0 2.0
   79    64    67    68   3.62500 -1.0 2.0
   79    64   -67    71   3.62500 -1.0 2.0
   52    46    50    51   3.62500 -1.0 2.0
   52    46   -50    60   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   54    73    47    41   4.00000 -1.0 2.0
   62    55    54    47   1.10000 -1.0 2.0
   65    63    62    54   1.10000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   73    70    69    65   1.10000 -1.0 2.0
   69    74    73    47   1.10000 -1.0 2.0
   45    48    44    38   1.00000 -1.0 2.0
   44    56    48    49  10.50000 -1.0 2.0
   50    52    46    40   4.00000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   64    61    60    50   1.10000 -1.0 2.0
   67    79    64    60   4.00000 -1.0 2.0
   71    68    67    64   1.10000 -1.0 2.0
   75    72    71    67   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    52    79    64   4.00000 -1.0 2.0
   79    53    52    46   1.10000 -1.0 2.0
END
