* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    231     446
    1     0 S   NP   _N1_     1    28.69473    94.35185   -22.25478
    2     1 S   H    _HN1     2     1.02834    27.89532   154.78896
    3     1 S   H    _H1_     3     1.02771    94.27399   -83.93825
    4     1 S   H    _H2_     4     1.02960    89.31461    24.43870
    5     1 S   CT   _CA1     5     1.50089   138.32591   145.07562
    6     5 S   HC   _HA1     6     1.09563   105.29717    63.98586
    7     5 S   CO3  _C1_     7     1.53844   112.46131   -56.42286
    8     7 S   O2Z  _O11     8     1.26365   114.87795   -41.14705
    9     7 S   O2Z  _O12     9     1.26236   114.94347   138.25337
   10     5 S   CT   _CB1    10     1.53100   107.47479  -177.83915
   11    10 S   HC   HB11    11     1.09813   109.60900   -49.48945
   12    10 S   HC   HB12    12     1.09829   110.31669    67.21803
   13    10 S   CT   _CG1    13     1.52922   112.46262  -170.53880
   14    13 S   HC   HG11    14     1.09526   110.23415   -60.82973
   15    13 S   HC   HG12    15     1.09637   110.08104    58.30224
   16    13 S   C    _CD1    16     1.51742   112.47021   179.01146
   17    16 S   O    _OE1    17     1.22700   123.33523    -3.36115
   18    16 S   N    _N2_    18     1.38546   111.45528   176.43547
   19    18 S   H    _HN2    19     1.01658   118.93568     1.53059
   20    18 S   CT1  _CA2    20     1.46099   123.66311  -176.51120
   21    20 S   HC   _HA2    21     1.09726   109.39745    -8.48332
   22    20 S   C    _C2_    22     1.53424   108.62789  -124.32756
   23    22 S   O    _O2_    23     1.23032   122.14784  -147.34811
   24    20 S   CT   _CB2    32     1.53585   111.14542   113.42383
   25    24 S   HC   HB21    33     1.09346   109.56470    56.86280
   26    24 S   HC   HB22    34     1.09489   109.94843   175.44104
   27    22 S   N    _N3_    24     1.38484   113.47455    40.17636
   28    27 S   H    _HN3    25     1.01520   118.87712    -1.13419
   29    24 S   S    _SG2    35     1.82982   111.41845   -65.37639
   30    27 S   CT   _CA3    26     1.45460   123.58787   175.15216
   31    30 S   HC   HA31    27     1.09515   109.38696    21.19832
   32    30 S   HC   HA32    28     1.09502   107.07672   138.20220
   33    29 S   CT   _C19    36     1.85879   102.30400   159.89927
   34    30 S   CO3  _C3_    29     1.52921   113.04257  -102.40153
   35    34 S   O2Z  _O31    30     1.26413   115.38647   -45.48222
   36    34 S   O2Z  _O32    31     1.26359   115.01627   135.46188
   37    33 S   CT   _C14    37     1.56984   106.70456   165.26994
   38    37 S   HC   _H34    38     1.10034   109.70348   -62.55642
   39    37 S   HC   _H35    39     1.09937   109.48661  -176.47530
   40    33 S   CT   _C18    58     1.58205   114.67810   -70.79027
   41    40 S   HC   _H39    59     1.09683   105.48510  -153.52302
   42    33 S   CT   _C22    80     1.55086   108.35521    52.89808
   43    42 S   HC   _H46    81     1.09437   113.12311   -65.66737
   44    42 S   HC   _H47    82     1.09697   110.38118   174.78748
   45    42 S   HC   _H48    83     1.09680   111.79088    55.75289
   46    37 S   CO4  _C7_    40     1.52570   119.33819    59.92572
   47    46 S   O    _O20    41     1.22708   121.77058  -107.62366
   48    40 S   OH   _O24    60     1.43269   110.53853    93.88604
   49    48 S   HO   _H49    61     0.97205   108.02085   166.71059
   50    46 S   CM   _C4_    42     1.48712   115.95975    74.09233
   51    50 S   HC   _H27    43     1.08686   114.68213    31.85205
   52    50 S   CM   _C5_    44     1.34587   123.70497  -132.96068
   53    52 S   CT   _C13    45     1.51147   117.97694   159.43909
   54    53 S   HC   _H32    46     1.09922   110.77268    25.11274
   55    53 S   HC   _H33    47     1.09757   108.80227   138.72022
   56    52 S   CT   _C20    76     1.50523   126.84248   -13.53559
   57    56 S   HC   _H40    77     1.09411   110.64280   110.90510
   58    56 S   HC   _H41    78     1.09055   113.82558   -10.18240
   59    56 S   HC   _H42    79     1.09535   109.80937  -129.72823
   60    53 S   CT   _C17    48     1.55636   114.40009   -97.77634
   61    60 S   HC   _H38    49     1.09767   110.89255   -60.42290
   62    60 S   CT   _C15    50     1.56290   113.95429    63.47846
   63    62 S   HC   _H36    51     1.09706   108.05346    50.88195
   64    60 S   OS   _O25    65     1.45584   105.87669  -178.78083
   65    62 S   CM   _C6_    52     1.49539   112.92137   172.51379
   66    64 S   CO4  _C12    66     1.36044   117.66071    82.91751
   67    66 S   O    _O22    67     1.22197   126.02637    -0.23573
   68    65 S   CO4  _C8_    53     1.47094   110.02815   102.47258
   69    68 S   O    _O21    54     1.21707   127.38877  -169.25754
   70    65 S   CM   _C9_    62     1.33597   128.53306   -82.74412
   71    70 S   HC   _H28    63     1.08442   120.78697     2.32515
   72    70 S   HC   _H29    64     1.08516   121.82645  -177.36745
   73    66 S   CM   _C11    68     1.48905   109.68112  -179.49332
   74    68 S   OS   _O23    55     1.35741   106.88530    11.22797
   75    73 S   CM   _C10    69     1.34152   117.29239  -171.63177
   76    75 S   HC   _H30    70     1.08547   120.98154  -179.48414
   77    75 S   HC   _H31    71     1.08549   122.43756     0.76617
   78    73 S   CT   _C21    72     1.49691   120.26865     9.47710
   79    78 S   HC   _H43    73     1.09395   110.58829   -66.54275
   80    78 S   HC   _H44    74     1.09499   110.66762    54.10426
   81    78 S   HC   _H45    75     1.09544   111.85318   173.71163
   82    62 S   CT   _C16    56     1.54419   114.24817   -74.06655
   83    82 S   HC   _H37    57     1.08393   110.98765    12.33205
  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  13   5   4   3
  18   2   1   1  15   6   5  16   7   6   2   1   1   6   3   5
   1  10   3  11  14   6   5   4   2   1   1  13   6  12   7   7
   8   9   3   7   3   4   1   1   7   2   6   2   1   3   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    82    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    62    74    82    83    40    41    48    49    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    52    82    40    41    48    42    43    44    45  
   39    46    47    50    40    42  
   46    47    50    40    42  
   41    48    49    42    43    44    45    46    60    62    63    65    68    74    82    83  
   48    49    42    62    74    82    83  
   43    44    45    46    48    82  
   44    45  
   45  
    0  
   47    50    51    52    53    56  
   50    51    52  
   49    62    74    82    83  
   82  
   51    52    53    54    55    60    56    57    58    59  
   52    53    56  
   53    54    55    60    61    62    64    56    57    58    59  
   54    55    60    61    62    63    65    82    64    66    56    57    58    59  
   55    60    61    62    64    56  
   60    61    62    64    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    68    74    82    83    70    64    66    67    73  
   62    63    65    82    64    66  
   63    65    68    69    74    82    83    70    71    72    64    66  
   65    68    74    82    83    70    64  
   66    67    73    75    78    65    82  
   68    69    74    82    83    70    71    72  
   67    73    75    76    77    78    79    80    81  
   73    75    78  
   69    74    82    83    70    71    72  
   74    82    70  
   71    72    74    82  
   72  
    0  
   75    76    77    78    79    80    81  
   82    83  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   317.000  1.522
   46    47   570.000  1.229
   46    50   320.000  1.462
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   317.000  1.510
   62    82   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    82   320.000  1.410
   82    83   340.000  1.090
   82    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    73   320.000  1.462
   73    75   549.000  1.340
   73    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    40    82    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    80.00000  120.40000
   37    46    50    65.00000  118.62400
   39    37    38    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    39    35.00000  109.50000
   46    50    51    40.00000  117.72500
   46    50    52    65.00000  118.96000
   50    46    47    80.00000  123.72100
   50    52    53    70.00000  124.00000
   50    52    56    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.02700
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    58.35000  112.70000
   53    60    64    50.00000  109.50000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    62    82    58.35000  112.70000
   60    64    66    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    68    65.00000  116.34900
   62    65    70    70.00000  124.00000
   62    82    74    50.00000  109.50000
   62    82    83    37.50000  110.70000
   62    82    40    58.35000  112.70000
   65    62    63    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    74    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   68    74    82    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    82    83    35.00000  109.50000
   74    82    40    50.00000  109.50000
   82    62    63    37.50000  110.70000
   82    62    65    70.00000  112.02700
   82    40    41    37.50000  110.70000
   82    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    73    90.00000  111.29400
   66    73    75    65.00000  118.96000
   66    73    78    65.00000  116.34900
   73    66    67    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    35.00000  120.00000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    73    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    50   0.65300  1.0 1.0
   33    37    46    50  -0.03850 -1.0 2.0
   33    37    46    50   0.33900  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    82   0.56750  1.0 1.0
   37    33    40    82  -0.07550 -1.0 2.0
   37    33    40    82   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.04550  1.0 1.0
   37    46    50    51   0.83000 -1.0 2.0
   37    46    50    51  -0.04000  1.0 3.0
   37    46    50    52  -0.33500  1.0 1.0
   37    46    50    52   1.06600 -1.0 2.0
   37    46    50    52  -0.14000  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    50   0.00000  1.0 1.0
   39    37    46    47   0.00000  1.0 1.0
   39    37    46    50   0.00000  1.0 1.0
   46    50    52    53   7.00000 -1.0 2.0
   46    50    52    56   7.00000 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   1.00000 -1.0 2.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    60   0.09850  1.0 1.0
   50    52    53    60   0.15250 -1.0 2.0
   50    52    53    60  -0.50650  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    58   0.00000  1.0 1.0
   50    52    56    59   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.34400  1.0 1.0
   52    53    60    62   0.09450 -1.0 2.0
   52    53    60    62   0.11100  1.0 3.0
   52    53    60    64   0.61850  1.0 1.0
   52    53    60    64  -0.22750 -1.0 2.0
   52    53    60    64   0.15300  1.0 3.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    62    63   0.15000  1.0 3.0
   53    60    62    65   0.34400  1.0 1.0
   53    60    62    65   0.09450 -1.0 2.0
   53    60    62    65   0.11100  1.0 3.0
   53    60    62    82   0.56750  1.0 1.0
   53    60    62    82  -0.07550 -1.0 2.0
   53    60    62    82   0.20000  1.0 3.0
   53    60    64    66  -0.25900  1.0 1.0
   53    60    64    66  -0.47000 -1.0 2.0
   53    60    64    66   0.11750  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    64   0.23400  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    64   0.23400  1.0 3.0
   60    62    65    68   0.09700  1.0 1.0
   60    62    65    68   0.15600 -1.0 2.0
   60    62    65    68  -0.50800  1.0 3.0
   60    62    65    70   0.09850  1.0 1.0
   60    62    65    70   0.15250 -1.0 2.0
   60    62    65    70  -0.50650  1.0 3.0
   60    62    82    74   0.62750  1.0 1.0
   60    62    82    74  -0.30950 -1.0 2.0
   60    62    82    74   0.27300  1.0 3.0
   60    62    82    83   0.15000  1.0 3.0
   60    62    82    40   0.56750  1.0 1.0
   60    62    82    40  -0.07550 -1.0 2.0
   60    62    82    40   0.20000  1.0 3.0
   60    64    66    67   3.00000 -1.0 2.0
   60    64    66    73   2.00000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    82   0.15000  1.0 3.0
   61    60    64    66   0.08050  1.0 3.0
   62    60    64    66  -0.25900  1.0 1.0
   62    60    64    66  -0.47000 -1.0 2.0
   62    60    64    66   0.11750  1.0 3.0
   62    65    68    69  -0.64400  1.0 1.0
   62    65    68    69   0.26850 -1.0 2.0
   62    65   -68    74  -0.15000  1.0 1.0
   62    65   -68    74   0.89550 -1.0 2.0
   62    65   -68    74  -0.06900  1.0 3.0
   62    65    70    71   7.00000 -1.0 2.0
   62    65    70    72   7.00000 -1.0 2.0
   62    82    40    33   0.56750  1.0 1.0
   62    82    40    33  -0.07550 -1.0 2.0
   62    82    40    33   0.20000  1.0 3.0
   62    82    40    41   0.15000  1.0 3.0
   62    82    40    48   0.86500  1.0 1.0
   62    82    40    48  -0.17500 -1.0 2.0
   62    82    40    48   0.20800  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.00000  1.0 1.0
   63    62    82    74   0.23400  1.0 3.0
   63    62    82    83   0.15000  1.0 3.0
   63    62    82    40   0.15000  1.0 3.0
   65    62   -82    74   0.61850  1.0 1.0
   65    62   -82    74  -0.22750 -1.0 2.0
   65    62   -82    74   0.15300  1.0 3.0
   65    62    82    83   0.15000  1.0 3.0
   65    62    82    40   0.34400  1.0 1.0
   65    62    82    40   0.09450 -1.0 2.0
   65    62    82    40   0.11100  1.0 3.0
   65    68   -74    82   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   68    74   -82    62  -0.25900  1.0 1.0
   68    74   -82    62  -0.47000 -1.0 2.0
   68    74   -82    62   0.11750  1.0 3.0
   68    74    82    83   0.08050  1.0 3.0
   68    74    82    40  -0.25900  1.0 1.0
   68    74    82    40  -0.47000 -1.0 2.0
   68    74    82    40   0.11750  1.0 3.0
   69    68    74    82   3.00000 -1.0 2.0
   74    82    40    33   0.62750  1.0 1.0
   74    82    40    33  -0.30950 -1.0 2.0
   74    82    40    33   0.27300  1.0 3.0
   74    82    40    41   0.23400  1.0 3.0
   74    82    40    48   3.69350  1.0 1.0
   74    82    40    48  -1.82950 -1.0 2.0
   82    62   -65    68   0.09700  1.0 1.0
   82    62   -65    68   0.15600 -1.0 2.0
   82    62   -65    68  -0.50800  1.0 3.0
   82    62    65    70   0.09850  1.0 1.0
   82    62    65    70   0.15250 -1.0 2.0
   82    62    65    70  -0.50650  1.0 3.0
   82    40    48    49  -0.11600  1.0 1.0
   82    40    48    49  -0.09450 -1.0 2.0
   82    40    48    49   0.21250  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.15000  1.0 3.0
   83    82    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46  -0.95700  1.0 1.0
   40    33    37    46  -0.18200 -1.0 2.0
   40    33    37    46   0.29450  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    74  -0.56150  1.0 1.0
   70    65    68    74   2.19150 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.61850  1.0 1.0
   64    60    62    65  -0.22750 -1.0 2.0
   64    60    62    65   0.15300  1.0 3.0
   64    60    62    82   0.62750  1.0 1.0
   64    60    62    82  -0.30950 -1.0 2.0
   64    60    62    82   0.27300  1.0 3.0
   64    66    73    75  -0.56150  1.0 1.0
   64    66    73    75   2.19150 -1.0 2.0
   64    66    73    78  -0.15000  1.0 1.0
   64    66    73    78   0.89550 -1.0 2.0
   64    66    73    78  -0.06900  1.0 3.0
   66    73    75    76   7.00000 -1.0 2.0
   66    73    75    77   7.00000 -1.0 2.0
   66    73    78    79   0.15000  1.0 3.0
   66    73    78    80   0.15000  1.0 3.0
   66    73    78    81   0.15000  1.0 3.0
   67    66    73    75   1.00000 -1.0 2.0
   67    66    73    78  -0.64400  1.0 1.0
   67    66    73    78   0.26850 -1.0 2.0
   75    73    78    79   0.00000  1.0 1.0
   75    73    78    80   0.00000  1.0 1.0
   75    73    78    81   0.00000  1.0 1.0
   78    73    75    76   7.00000 -1.0 2.0
   78    73    75    77   7.00000 -1.0 2.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.46850  1.0 1.0
   56    52    53    60   0.08550 -1.0 2.0
   56    52    53    60   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46  -0.95700  1.0 1.0
   42    33    37    46  -0.18200 -1.0 2.0
   42    33    37    46   0.29450  1.0 3.0
   42    33    40    82   0.56750  1.0 1.0
   42    33    40    82  -0.07550 -1.0 2.0
   42    33    40    82   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    50    46    47  10.50000 -1.0 2.0
   46    51    50    52   1.10000 -1.0 2.0
   53    56    52    50   1.10000 -1.0 2.0
   62    68    65    70   1.10000 -1.0 2.0
   65    74    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   64    73    66    67  10.50000 -1.0 2.0
   66    78    73    75  15.00000 -1.0 2.0
   76    77    75    73  15.00000 -1.0 2.0
END
