* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    156    244     467
    1     0 S   NP   _N1_     1    28.06621    97.38682   -23.13627
    2     1 S   H    _HN1     2     1.02773   107.69492  -109.59417
    3     1 S   H    _H1_     3     1.02953    70.22145    -5.92506
    4     1 S   H    _H2_     4     1.02831    39.15055   153.55697
    5     1 S   CT   _CA1     5     1.50167   136.93799    93.10660
    6     5 S   HC   _HA1     6     1.09573   105.19007    95.27571
    7     5 S   CO3  _C1_     7     1.53783   112.20589   -24.88705
    8     7 S   O2Z  _O11     8     1.26379   114.98638   -45.79197
    9     7 S   O2Z  _O12     9     1.26217   114.93299   133.01351
   10     5 S   CT   _CB1    10     1.53068   107.37739  -146.84008
   11    10 S   HC   HB11    11     1.09834   109.35719   -49.70227
   12    10 S   HC   HB12    12     1.09813   110.44216    66.85146
   13    10 S   CT   _CG1    13     1.53037   112.69078  -170.69266
   14    13 S   HC   HG11    14     1.09589   110.58003   -64.80654
   15    13 S   HC   HG12    15     1.09656   109.87087    54.43011
   16    13 S   C    _CD1    16     1.51853   112.11005   174.83836
   17    16 S   O    _OE1    17     1.22790   123.23794     4.77967
   18    16 S   N    _N2_    18     1.38491   111.87710  -175.33175
   19    18 S   H    _HN2    19     1.01638   119.31104     1.80179
   20    18 S   CT1  _CA2    20     1.45740   122.74625   179.16913
   21    20 S   HC   _HA2    21     1.09786   108.56311    30.41915
   22    20 S   C    _C2_    22     1.53082   108.19900   -86.41413
   23    22 S   O    _O2_    23     1.22919   123.29348   -23.43391
   24    20 S   CT   _CB2    32     1.53294   111.95200   153.43408
   25    24 S   HC   HB21    33     1.09362   110.08149    51.53787
   26    24 S   HC   HB22    34     1.09247   109.26805   170.07328
   27    22 S   N    _N3_    24     1.38727   112.13983   159.21377
   28    27 S   H    _HN3    25     1.01620   119.66677    -4.46274
   29    24 S   S    _SG2    35     1.82628   110.47380   -71.34209
   30    27 S   CT   _CA3    26     1.45330   122.77015   177.64299
   31    30 S   HC   HA31    27     1.09566   108.59535   -42.50882
   32    30 S   HC   HA32    28     1.09551   107.60665    73.65316
   33    29 S   CT   _C9_    36     1.94167   103.23149   160.86420
   34    30 S   CO3  _C3_    29     1.52721   112.33307  -165.61131
   35    34 S   O2Z  _O31    30     1.26375   115.12837   -67.44912
   36    34 S   O2Z  _O32    31     1.26370   115.21679   111.81974
   37    33 S   CT   _C8_    37     1.57676   104.73252    57.36622
   38    37 S   HC   _H10    38     1.09497   109.32367   -43.30878
   39    37 S   HC   _H11    39     1.08578   107.94041  -149.84644
   40    33 S   CT   _C10    59     1.63391   110.58114   -58.76744
   41    40 S   OM   _O37    60     1.33108   109.27618   -39.59941
   42    40 S   HC   _H5_    61     1.10091   105.00078    87.72587
   43    33 S   CO   _C18    66     1.58946   106.44722  -179.91844
   44    43 S   HC   _H7_    67     1.09587   110.58361    91.87081
   45    37 S   CT   _C7_    40     1.55682   121.10832    82.96629
   46    45 S   HC   _H4_    41     1.09212   113.56231     5.87159
   47    43 S   OH   _O36    68     1.43473   111.28577   -25.02037
   48    47 S   HO   _H19    69     0.97128   106.74428   152.56422
   49    45 S   CT   _C6_    42     1.55856   111.52164   130.79191
   50    49 S   HC   _H3_    43     1.10181   107.57807    54.27974
   51    45 S   OS   _O38    73     1.45745   104.78595  -114.38793
   52    49 S   CM   _C5_    44     1.49918   120.41618   174.58199
   53    51 S   CO4  _C19    74     1.35801   118.78381   101.49541
   54    53 S   O    _O39    75     1.22216   126.07344     9.03883
   55    52 S   CO4  _C16    45     1.48713   107.08828   158.43390
   56    55 S   O    _O34    46     1.21726   127.20870   163.77638
   57    52 S   CM   _C4_    70     1.33508   132.43377   -18.71735
   58    57 S   HC   _H8_    71     1.08195   122.07029    -1.35451
   59    57 S   HC   _H9_    72     1.08577   121.39546   178.41366
   60    53 S   CM   _C20    76     1.49045   109.59531  -170.65832
   61    55 S   OS   _O33    47     1.36792   106.81386   -14.98585
   62    60 S   CM   _C21    77     1.34229   117.02762   175.81938
   63    62 S   HC   _H20    78     1.08599   120.88816   179.93147
   64    62 S   HC   _H21    79     1.08523   122.55990    -0.72981
   65    60 S   CT   _C22    80     1.49963   120.95561    -5.15438
   66    65 S   HC   _H22    81     1.09487   111.12021   -51.06206
   67    65 S   HC   _H23    82     1.09587   111.22192  -170.88335
   68    49 S   CT   _C15    48     1.53825   116.21386   -69.46770
   69    68 S   HC   _H6_    49     1.09638   111.28475   -54.54408
   70    65 S   OH   _O40    83     1.42068   109.59232    69.44203
   71    70 S   HO   _H24    84     0.97424   107.18124   158.05303
   72    68 S   CM   _C14    50     1.50209   112.74328    71.78494
   73    72 S   HC   _H16    51     1.08873   115.60777    62.97819
   74    72 S   CM   _C13    52     1.35098   123.83871  -103.05877
   75    74 S   CT   _C12    53     1.50385   120.13021   157.47721
   76    75 S   HC   _H14    54     1.09727   111.01782    -6.76573
   77    75 S   HC   _H15    55     1.09766   107.88260   109.23921
   78    74 S   CT   _C17    62     1.50040   123.00557   -13.94243
   79    78 S   HC   _H17    63     1.09395   114.27109  -170.67178
   80    78 S   HC   _H18    64     1.09697   108.49612   -54.16004
   81    75 S   CT   _C11    56     1.54045   114.92727  -130.02894
   82    81 S   HC   _H12    57     1.10376   104.57632  -176.01189
   83    81 S   HC   _H13    58     1.09921   108.96654   -65.61984
   84    78 S   OS   _O35    65     1.41345   109.90418    62.88296
  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
  20   2   1   1  18   7   6  14   6   5  10   4  14   6   3   1
  15   8   7   9   9   3   8   3   4   1   1   8   5   6   2   1
   4   3   2   6   3   1   1  10   3  10   9   5   4   4   2   1
   2   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    81    40    41    42    84    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    49    75    81    82    83    40    41    42    78    84    43    44    47    48    51  
   35    36  
   36  
    0  
   38    39    45    46    49    50    52    68    81    40    41    42    84    43    44    47    51    53  
   39    45    46    49    40    43    51  
   45    46    49    40    43    51  
   41    42    84    43    44    47    45    74    75    76    77    81    82    83  
   42    43    75    81    82    83  
   43    75    81    82    83  
   44    47    48    45    74    78    79    80    81    84  
   47    48    78    84  
   46    49    50    52    55    61    68    69    72    57    51    53    54    60  
   49    50    52    68    51    53  
   48    78    84  
   84  
   50    52    55    56    61    68    69    72    73    74    57    58    59    51    53  
   52    55    61    68    69    72    57    51  
   53    54    60    62    65    52    68  
   55    56    61    68    69    72    57    58    59  
   54    60    62    63    64    65    66    67    70  
   60    62    65  
   56    61    68    69    72    57    58    59  
   61    68    57  
   58    59    61    68  
   59  
    0  
   62    63    64    65    66    67    70    71  
   68    69    72    73    74  
   63    64    65    66    67    70  
   64    65  
   65  
   66    67    70    71  
   67    70    71  
   70    71  
   69    72    73    74    75    78  
   72    73    74  
   71  
    0  
   73    74    75    76    77    81    78    79    80    84  
   74    75    78  
   75    76    77    81    82    83    78    79    80    84  
   76    77    81    82    83    78    79    80    84  
   77    81    82    83    78  
   81    82    83    78  
   79    80    84    81  
   80    84  
   84  
   82    83  
   83  
    0  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    43   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    68   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    78   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   320.000  1.410
   84    43   320.000  1.380
   43    44   340.000  1.090
   43    47   380.000  1.407
   47    48   553.000  0.945
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   320.000  1.462
   60    62   549.000  1.340
   60    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
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    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    84    90.00000  108.56700
   33    43    44    45.00000  112.01100
   33    43    47    90.00000  110.19100
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    70.00000  112.02700
   45    49    68    58.35000  112.70000
   45    51    53    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    68    61    50.00000  109.50000
   49    68    69    37.50000  110.70000
   49    68    72    70.00000  112.02700
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    61    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    61    68    83.00000  116.90000
   61    55    56    83.00000  123.40000
   61    68    69    35.00000  109.50000
   61    68    72    85.00000  110.90400
   68    49    50    37.50000  110.70000
   68    49    52    70.00000  112.02700
   68    72    73    35.00000  117.00000
   68    72    74    70.00000  124.00000
   72    68    69    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    78    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    81    70.00000  112.02700
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    84    85.00000  110.90400
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    40    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    40    41    50.00000  109.50000
   81    40    42    37.50000  110.70000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   42    40    41    45.00000  125.66300
   78    74    75    65.00000  117.92700
   78    84    43    60.00000  109.50000
   80    78    79    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    80    35.00000  109.50000
   84    43    44    35.00000  109.50000
   84    43    47   110.00000  112.08000
   43    33    37    75.00000  109.43000
   43    33    40    75.00000  109.43000
   43    47    48    70.00000  107.92000
   47    43    44    60.00000  108.02500
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    45    46    35.00000  109.50000
   51    45    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    90.00000  111.29400
   53    60    62    65.00000  118.96000
   53    60    65    65.00000  116.34900
   60    53    54    80.00000  123.72100
   60    62    63    35.00000  120.00000
   60    62    64    35.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    70    90.00000  110.39200
   64    62    63    35.00000  117.00000
   65    60    62    70.00000  124.00000
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    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    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    84   0.56750  1.0 1.0
   29    33    43    84  -0.07550 -1.0 2.0
   29    33    43    84   0.20000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    51   0.62750  1.0 1.0
   33    37    45    51  -0.30950 -1.0 2.0
   33    37    45    51   0.27300  1.0 3.0
   33    43    47    48  -0.11600  1.0 1.0
   33    43    47    48  -0.09450 -1.0 2.0
   33    43    47    48   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    84   0.62750  1.0 1.0
   37    33    43    84  -0.30950 -1.0 2.0
   37    33    43    84   0.27300  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    47   0.86500  1.0 1.0
   37    33    43    47  -0.17500 -1.0 2.0
   37    33    43    47   0.20800  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    52   0.34400  1.0 1.0
   37    45    49    52   0.09450 -1.0 2.0
   37    45    49    52   0.11100  1.0 3.0
   37    45    49    68   0.56750  1.0 1.0
   37    45    49    68  -0.07550 -1.0 2.0
   37    45    49    68   0.20000  1.0 3.0
   37    45    51    53  -0.25900  1.0 1.0
   37    45    51    53  -0.47000 -1.0 2.0
   37    45    51    53   0.11750  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    51   0.23400  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    49   0.15000  1.0 3.0
   39    37    45    51   0.23400  1.0 3.0
   45    49    52    55   0.09700  1.0 1.0
   45    49    52    55   0.15600 -1.0 2.0
   45    49    52    55  -0.50800  1.0 3.0
   45    49    52    57   0.09850  1.0 1.0
   45    49    52    57   0.15250 -1.0 2.0
   45    49    52    57  -0.50650  1.0 3.0
   45    49    68    61   0.62750  1.0 1.0
   45    49    68    61  -0.30950 -1.0 2.0
   45    49    68    61   0.27300  1.0 3.0
   45    49    68    69   0.15000  1.0 3.0
   45    49    68    72   0.34400  1.0 1.0
   45    49    68    72   0.09450 -1.0 2.0
   45    49    68    72   0.11100  1.0 3.0
   45    51    53    54   3.00000 -1.0 2.0
   45    51    53    60   2.00000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    68   0.15000  1.0 3.0
   46    45    51    53   0.08050  1.0 3.0
   49    45    51    53  -0.25900  1.0 1.0
   49    45    51    53  -0.47000 -1.0 2.0
   49    45    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    61  -0.15000  1.0 1.0
   49    52   -55    61   0.89550 -1.0 2.0
   49    52   -55    61  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    68    72    73   0.00000  1.0 1.0
   49    68    72    74   0.09850  1.0 1.0
   49    68    72    74   0.15250 -1.0 2.0
   49    68    72    74  -0.50650  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    68    61   0.23400  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   50    49    68    72   0.15000  1.0 3.0
   52    49   -68    61   0.61850  1.0 1.0
   52    49   -68    61  -0.22750 -1.0 2.0
   52    49   -68    61   0.15300  1.0 3.0
   52    49    68    69   0.15000  1.0 3.0
   52    49    68    72   0.31000  1.0 1.0
   52    49    68    72   0.14700 -1.0 2.0
   52    49    68    72   0.07550  1.0 3.0
   52    55   -61    68   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    61   -68    49  -0.25900  1.0 1.0
   55    61   -68    49  -0.47000 -1.0 2.0
   55    61   -68    49   0.11750  1.0 3.0
   55    61    68    69   0.08050  1.0 3.0
   55    61    68    72  -0.82050  1.0 1.0
   55    61    68    72   0.00600 -1.0 2.0
   55    61    68    72   0.04400  1.0 3.0
   56    55    61    68   3.00000 -1.0 2.0
   61    68    72    73   0.00000  1.0 1.0
   61    68    72    74   0.39000  1.0 1.0
   61    68    72    74  -0.05800 -1.0 2.0
   61    68    72    74  -0.55150  1.0 3.0
   68    49   -52    55   0.09700  1.0 1.0
   68    49   -52    55   0.15600 -1.0 2.0
   68    49   -52    55  -0.50800  1.0 3.0
   68    49    52    57   0.09850  1.0 1.0
   68    49    52    57   0.15250 -1.0 2.0
   68    49    52    57  -0.50650  1.0 3.0
   68    72    74    75   7.00000 -1.0 2.0
   68    72    74    78   7.00000 -1.0 2.0
   69    68    72    73   0.33100  1.0 3.0
   69    68    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    81   0.09850  1.0 1.0
   72    74    75    81   0.15250 -1.0 2.0
   72    74    75    81  -0.50650  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    84   0.39000  1.0 1.0
   72    74    78    84  -0.05800 -1.0 2.0
   72    74    78    84  -0.55150  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    78   7.00000 -1.0 2.0
   74    75    81    82   0.15000  1.0 3.0
   74    75    81    83   0.15000  1.0 3.0
   74    75    81    40   0.34400  1.0 1.0
   74    75    81    40   0.09450 -1.0 2.0
   74    75    81    40   0.11100  1.0 3.0
   74    78    84    43  -0.77900  1.0 1.0
   74    78    84    43  -0.36900 -1.0 2.0
   74    78    84    43   0.40400  1.0 3.0
   75    74    78    79   0.34800  1.0 3.0
   75    74    78    80   0.34800  1.0 3.0
   75    74    78    84   0.09700  1.0 1.0
   75    74    78    84   0.15600 -1.0 2.0
   75    74    78    84  -0.50800  1.0 3.0
   75    81    40    33   0.56750  1.0 1.0
   75    81    40    33  -0.07550 -1.0 2.0
   75    81    40    33   0.20000  1.0 3.0
   75    81    40    41   0.62750  1.0 1.0
   75    81    40    41  -0.30950 -1.0 2.0
   75    81    40    41   0.27300  1.0 3.0
   75    81    40    42   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    40   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    40   0.15000  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.23400  1.0 3.0
   82    81    40    42   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.23400  1.0 3.0
   83    81    40    42   0.15000  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    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    43    84   0.62750  1.0 1.0
   40    33    43    84  -0.30950 -1.0 2.0
   40    33    43    84   0.27300  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    47   0.86500  1.0 1.0
   40    33    43    47  -0.17500 -1.0 2.0
   40    33    43    47   0.20800  1.0 3.0
   78    74    75    76   0.34800  1.0 3.0
   78    74    75    77   0.34800  1.0 3.0
   78    74    75    81   0.46850  1.0 1.0
   78    74    75    81   0.08550 -1.0 2.0
   78    74    75    81   0.09800  1.0 3.0
   78    84    43    33   0.06250  1.0 1.0
   78    84    43    33  -0.01100 -1.0 2.0
   78    84    43    33   0.28050  1.0 3.0
   78    84    43    44   0.37050  1.0 3.0
   78    84    43    47  -0.70900  1.0 1.0
   78    84    43    47  -1.18000 -1.0 2.0
   78    84    43    47   0.91650  1.0 3.0
   79    78    84    43   0.37050  1.0 3.0
   80    78    84    43   0.37050  1.0 3.0
   84    43    47    48  -0.50000  1.0 1.0
   84    43    47    48  -0.73950 -1.0 2.0
   84    43    47    48   0.17150  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    45   3.97050  1.0 1.0
   43    33    40    81   3.97050  1.0 1.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    61  -0.56150  1.0 1.0
   57    52    55    61   2.19150 -1.0 2.0
   51    45    49    50   0.23400  1.0 3.0
   51    45    49    52   0.61850  1.0 1.0
   51    45    49    52  -0.22750 -1.0 2.0
   51    45    49    52   0.15300  1.0 3.0
   51    45    49    68   0.62750  1.0 1.0
   51    45    49    68  -0.30950 -1.0 2.0
   51    45    49    68   0.27300  1.0 3.0
   51    53    60    62  -0.56150  1.0 1.0
   51    53    60    62   2.19150 -1.0 2.0
   51    53    60    65  -0.15000  1.0 1.0
   51    53    60    65   0.89550 -1.0 2.0
   51    53    60    65  -0.06900  1.0 3.0
   53    60    62    63   7.00000 -1.0 2.0
   53    60    62    64   7.00000 -1.0 2.0
   53    60    65    66   0.15000  1.0 3.0
   53    60    65    67   0.15000  1.0 3.0
   53    60    65    70   0.09700  1.0 1.0
   53    60    65    70   0.15600 -1.0 2.0
   53    60    65    70  -0.50800  1.0 3.0
   54    53    60    62   1.00000 -1.0 2.0
   54    53    60    65  -0.64400  1.0 1.0
   54    53    60    65   0.26850 -1.0 2.0
   60    65    70    71  -0.07800  1.0 1.0
   60    65    70    71  -0.21500 -1.0 2.0
   60    65    70    71  -0.03150  1.0 3.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   62    60    65    70   0.67800  1.0 1.0
   62    60    65    70   0.47050 -1.0 2.0
   62    60    65    70  -0.62500  1.0 3.0
   65    60    62    63   7.00000 -1.0 2.0
   65    60    62    64   7.00000 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   49    55    52    57   1.10000 -1.0 2.0
   52    61    55    56  10.50000 -1.0 2.0
   68    73    72    74   1.10000 -1.0 2.0
   75    78    74    72   1.10000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
   53    65    60    62  15.00000 -1.0 2.0
   63    64    62    60  15.00000 -1.0 2.0
END
