* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    157    249     466
    1     0 S   NP   _N1_     1    30.64575    93.23945   -15.18135
    2     1 S   H    _HN1     2     1.02831    61.52819   -59.02462
    3     1 S   H    _H1_     3     1.02873   138.72519    26.16241
    4     1 S   H    _H2_     4     1.02945    50.13645    95.00084
    5     1 S   CT   _CA1     5     1.50341   109.26243  -164.13904
    6     5 S   HC   _HA1     6     1.09682   104.74068     8.63072
    7     5 S   CO3  _C1_     7     1.53945   111.05364  -108.08238
    8     7 S   O2Z  _O11     8     1.26158   116.69709  -104.20121
    9     7 S   O2Z  _O12     9     1.26424   114.36726    74.65466
   10     5 S   CT   _CB1    10     1.53050   107.19527   124.68570
   11    10 S   HC   HB11    11     1.09859   109.62928   -46.54420
   12    10 S   HC   HB12    12     1.09789   110.53563    69.78465
   13    10 S   CT   _CG1    13     1.53127   112.39632  -167.21582
   14    13 S   HC   HG11    14     1.09493   111.51460   -64.66412
   15    13 S   HC   HG12    15     1.09606   110.73758    54.61755
   16    13 S   C    _CD1    16     1.51351   109.68552   173.75540
   17    16 S   O    _OE1    17     1.22853   121.64187   -93.40923
   18    16 S   N    _N2_    18     1.38287   112.98001    84.03927
   19    18 S   H    _HN2    19     1.01498   119.26567     8.74516
   20    18 S   CT1  _CA2    20     1.45855   122.67966  -175.28636
   21    20 S   HC   _HA2    21     1.09727   108.58587    23.14366
   22    20 S   C    _C2_    22     1.52800   107.31857   -94.29057
   23    22 S   O    _O2_    23     1.22965   122.81984   -26.90029
   24    20 S   CT   _CB2    32     1.53399   112.57775   145.46456
   25    24 S   HC   HB21    33     1.09373   110.48528    68.68239
   26    24 S   HC   HB22    34     1.09574   109.98473  -174.32902
   27    22 S   N    _N3_    24     1.38582   112.43233   156.16453
   28    27 S   H    _HN3    25     1.01492   119.76892     0.58751
   29    24 S   S    _SG2    35     1.82927   111.33963   -55.19009
   30    27 S   CT   _CA3    26     1.45435   122.70781   174.96767
   31    30 S   HC   HA31    27     1.09545   108.83780    32.60031
   32    30 S   HC   HA32    28     1.09475   107.21552   149.73439
   33    29 S   CT   _C10    36     1.85051   100.78156   134.75323
   34    33 S   HC   _H3_    37     1.09731   106.37304    49.97478
   35    30 S   CO3  _C3_    29     1.53072   113.62086   -90.29925
   36    35 S   O2Z  _O31    30     1.26374   115.83498   -30.65461
   37    35 S   O2Z  _O32    31     1.26411   114.67136   150.16086
   38    33 S   CA   _C7_    38     1.52278   108.39703   166.45106
   39    33 S   CT   _C11    49     1.54367   111.20353   -68.00411
   40    39 S   HC   _H10    50     1.09424   109.48012    53.79958
   41    39 S   HC   _H11    51     1.09598   111.04362   -65.31043
   42    38 S   CA   _C6_    39     1.40473   119.46439  -104.71360
   43    42 S   HA   _H7_    40     1.08752   120.37755    -0.52339
   44    39 S   C    _C12    52     1.53144   113.52365   172.05525
   45    44 S   O    _O33    53     1.23412   120.61958    -2.58747
   46    42 S   CA   _C5_    41     1.39621   120.79993   179.73830
   47    46 S   HA   _H6_    42     1.08625   119.91898   179.73980
   48    44 S   N    _N4_    54     1.40779   116.85602   177.75301
   49    46 S   CA   _C4_    43     1.39253   120.08160    -0.26834
   50    49 S   HA   _H5_    44     1.08607   120.05479  -179.98022
   51    48 S   CM   _C17    55     1.38957   124.50477     8.58666
   52    51 S   HC   _H18    56     1.08101   116.47673     0.60813
   53    49 S   CA   _C9_    45     1.39270   119.87560    -0.15451
   54    53 S   HA   _H9_    46     1.08628   119.93622  -179.67076
   55    51 S   CM   _C16    57     1.34696   124.03862   179.74977
   56    38 S   CA   _C8_    47     1.40470   122.15038    74.32306
   57    56 S   HA   _H8_    48     1.08664   120.77407    -0.21122
   58    55 S   CT   _C15    58     1.51132   120.96566     3.62936
   59    58 S   HC   _H16    59     1.09625   110.35270   138.02971
   60    58 S   HC   _H17    60     1.09685   108.70755  -104.56739
   61    55 S   CT   _C18    67     1.51902   123.90463  -176.19059
   62    61 S   HC   _H4_    68     1.09849   108.05081   152.13373
   63    58 S   CT   _C14    61     1.52406   112.00429    17.11757
   64    63 S   HC   _H14    62     1.09788   109.29224    75.48686
   65    63 S   HC   _H15    63     1.09548   110.15972  -167.10883
   66    61 S   CT   _C19    69     1.53946   115.81536    31.14792
   67    66 S   HC   _H19    70     1.09674   109.89629    58.07065
   68    66 S   HC   _H20    71     1.09641   111.11082   -60.08529
   69    48 S   CT   _C13    64     1.47013   117.54487  -177.52132
   70    69 S   HC   _H12    65     1.09577   109.90286    28.36997
   71    69 S   HC   _H13    66     1.09726   107.20691   -87.80062
   72    66 S   CT   _C20    72     1.52871   111.51187   179.26538
   73    72 S   HC   _H21    73     1.09687   109.52228   -65.90741
   74    72 S   HC   _H22    74     1.09581   109.70110   176.92782
   75    72 S   CT   _C21    75     1.52582   111.23687    55.35691
   76    75 S   HC   _H23    76     1.09679   109.26460    67.37434
   77    75 S   HC   _H24    77     1.09566   109.67333  -175.88191
   78    75 S   CT   _C22    78     1.51989   111.66373   -54.17089
   79    78 S   HC   _H25    79     1.09381   111.54268   172.35743
   80    78 S   HC   _H26    80     1.09490   112.03042   -64.89365
   81    61 S   NP   _N5_    81     1.50579   111.22183   -92.31462
   82    81 S   H    _H27    82     1.03421   108.79472    63.44282
   83    81 S   H    _H28    83     1.02845   109.62281   -51.12532
  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
  14   7   2   1   1  13   9   4   3   8   4   9   3   6   3  11
   5   3  13   4   3   2  17   1   1  12   6   5  15   8   5   4
   3  12   6   5   2   1   1   9   5   4   8   5   4   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    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    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    56    57    39    40    41    44    45    48  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    53    54    56    57    39    40    41    44  
   40    41    44    45    48    51    69    42    56  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    53    56    57  
   46    47    49    56  
   45    48    51    52    55    63    69    70    71  
   48    51    69  
   47    49    50    53    54    56  
   49    50    53  
   51    52    55    58    63    64    65    69    70    71    61  
   50    53    54    56    57  
   53    54    56  
   52    55    58    59    60    63    69    70    71    61    62    66    81  
   55    58    69    61  
   54    56    57  
   56    57  
   58    59    60    63    64    65    69    61    62    66    67    68    72    78    81    82    83  
   57  
    0  
   59    60    63    64    65    69    70    71    61    62    66    81  
   60    63    64    65    69    61  
   63    64    65    69    61  
   62    66    67    68    72    73    74    75    78    79    80    81    82    83    63  
   66    67    68    72    78    81    82    83  
   64    65    69    70    71  
   65    69    70    71  
   69    70    71  
   67    68    72    73    74    75    76    77    78    81    82    83  
   68    72    73    74    75    81  
   72    73    74    75    81  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.188200   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   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   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
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    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    51   400.000  1.384
   48    69   337.000  1.449
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    58   317.000  1.510
   55    61   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    81   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   367.000  1.471
   81    82   434.000  1.010
   81    83   434.000  1.010
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    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    56    53    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   56    38    42    63.00000  120.00000
   56    53    54    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    70.00000  120.89900
   44    48    69    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    45.00000  111.09300
   48    51    55    75.00000  120.83300
   48    69    63    70.00000  110.72300
   48    69    70    35.00000  109.50000
   48    69    71    35.00000  109.50000
   51    55    58    70.00000  124.00000
   51    55    61    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.02700
   55    61    62    35.00000  109.50000
   55    61    66    70.00000  112.02700
   55    61    81    75.00000  110.06800
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    48    51    70.00000  119.94800
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   71    69    70    33.00000  107.80000
   61    55    58    65.00000  117.92700
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   61    81    78    75.00000  113.01200
   61    81    82    35.00000  109.50000
   61    81    83    35.00000  109.50000
   66    61    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    61    62    35.00000  109.50000
   81    61    66    80.00000  111.20000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    56    53   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    56    53   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    53    54   3.62500 -1.0 2.0
   46    49    53    56   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53   -56    38   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   54    53    56    38   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    44    48    51   0.67100  1.0 1.0
   39    44    48    51   1.42150 -1.0 2.0
   39    44    48    51   0.18700  1.0 3.0
   39    44    48    69   1.49850  1.0 1.0
   39    44    48    69   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   1.44600  1.0 1.0
   44    48    51    55  -0.18900  1.0 1.0
   44    48    51    55   1.70900 -1.0 2.0
   44    48    69    63  -0.43950  1.0 1.0
   44    48    69    63  -0.08100 -1.0 2.0
   44    48    69    63   0.03350  1.0 3.0
   44    48    69    70   0.00000  1.0 1.0
   44    48    69    71   0.00000  1.0 1.0
   45    44    48    51   2.67200 -1.0 2.0
   45    44    48    69   3.04450 -1.0 2.0
   48    51    55    58   7.00000 -1.0 2.0
   48    51    55    61   7.00000 -1.0 2.0
   51    48    69    63  -0.05900 -1.0 2.0
   51    48    69    70   0.00000  1.0 1.0
   51    48    69    71   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55   -58    63   0.09850  1.0 1.0
   51    55   -58    63   0.15250 -1.0 2.0
   51    55   -58    63  -0.50650  1.0 3.0
   51    55    61    62   0.00000  1.0 1.0
   51    55    61    66   0.09850  1.0 1.0
   51    55    61    66   0.15250 -1.0 2.0
   51    55    61    66  -0.50650  1.0 3.0
   51    55    61    81   0.80850  1.0 1.0
   51    55    61    81  -0.47300 -1.0 2.0
   51    55    61    81  -0.52300  1.0 3.0
   52    51    55    58   7.00000 -1.0 2.0
   52    51    55    61   7.00000 -1.0 2.0
   55    58    63    64   0.15000  1.0 3.0
   55    58    63    65   0.15000  1.0 3.0
   55    58    63    69   0.34400  1.0 1.0
   55    58    63    69   0.09450 -1.0 2.0
   55    58    63    69   0.11100  1.0 3.0
   55    61    66    67   0.15000  1.0 3.0
   55    61    66    68   0.15000  1.0 3.0
   55    61    66    72   0.34400  1.0 1.0
   55    61    66    72   0.09450 -1.0 2.0
   55    61    66    72   0.11100  1.0 3.0
   55    61    81    78   0.08000 -1.0 2.0
   55    61    81    82   0.17350  1.0 3.0
   55    61    81    83   0.17350  1.0 3.0
   58    55    61    62   0.34800  1.0 3.0
   58    55    61    66   0.46850  1.0 1.0
   58    55    61    66   0.08550 -1.0 2.0
   58    55    61    66   0.09800  1.0 3.0
   58    55    61    81   0.52100  1.0 1.0
   58    55    61    81  -0.20350 -1.0 2.0
   58    55    61    81   0.29750  1.0 3.0
   58    63   -69    48   0.43900  1.0 1.0
   58    63   -69    48   0.49100 -1.0 2.0
   58    63   -69    48   0.28400  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    71   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    69   0.15000  1.0 3.0
   64    63    69    48   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   65    63    69    48   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   69    48    51    52   1.88100 -1.0 2.0
   69    48   -51    55  -0.88150  1.0 1.0
   69    48   -51    55   2.95600 -1.0 2.0
   61    55    58    59   0.34800  1.0 3.0
   61    55    58    60   0.34800  1.0 3.0
   61    55    58    63   0.46850  1.0 1.0
   61    55    58    63   0.08550 -1.0 2.0
   61    55    58    63   0.09800  1.0 3.0
   61    66    72    73   0.15000  1.0 3.0
   61    66    72    74   0.15000  1.0 3.0
   61    66    72    75   0.56750  1.0 1.0
   61    66    72    75  -0.07550 -1.0 2.0
   61    66    72    75   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    72   0.15000  1.0 3.0
   62    61    81    78   0.15000  1.0 3.0
   62    61    81    82   0.13050  1.0 3.0
   62    61    81    83   0.13050  1.0 3.0
   66    61    81    78   0.47100  1.0 1.0
   66    61    81    82   0.17350  1.0 3.0
   66    61    81    83   0.17350  1.0 3.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77   0.15000  1.0 3.0
   66    72   -75    78   0.56750  1.0 1.0
   66    72   -75    78  -0.07550 -1.0 2.0
   66    72   -75    78   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   1.36600  1.0 1.0
   72    75    78    81  -0.11450 -1.0 2.0
   72    75    78    81   0.24250  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78   -81    61   0.47100  1.0 1.0
   75    78    81    82   0.17350  1.0 3.0
   75    78    81    83   0.17350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.19200  1.0 3.0
   79    78    81    61   0.15000  1.0 3.0
   79    78    81    82   0.13050  1.0 3.0
   79    78    81    83   0.13050  1.0 3.0
   80    78    81    61   0.15000  1.0 3.0
   80    78    81    82   0.13050  1.0 3.0
   80    78    81    83   0.13050  1.0 3.0
   81    61    66    67   0.19200  1.0 3.0
   81    61    66    68   0.19200  1.0 3.0
   81    61   -66    72   1.36600  1.0 1.0
   81    61   -66    72  -0.11450 -1.0 2.0
   81    61   -66    72   0.24250  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    56    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   53    57    56    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   69    44    48    51   1.00000 -1.0 2.0
   48    52    51    55   1.10000 -1.0 2.0
   58    61    55    51   1.10000 -1.0 2.0
END
