* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    247     470
    1     0 S   NP   _N1_     1    28.96826    92.11266   -21.35635
    2     1 S   H    _HN1     2     1.02956   102.50001    17.90608
    3     1 S   H    _H1_     3     1.02839    22.65626   122.35444
    4     1 S   H    _H2_     4     1.02780    88.99808   -90.64693
    5     1 S   CT   _CA1     5     1.50124   131.37362   150.10151
    6     5 S   HC   _HA1     6     1.09567   105.27896    48.22471
    7     5 S   CO3  _C1_     7     1.53826   112.23410   -72.12472
    8     7 S   O2Z  _O11     8     1.26371   115.00989   -45.89981
    9     7 S   O2Z  _O12     9     1.26225   114.90425   133.19363
   10     5 S   CT   _CB1    10     1.53064   107.42471   166.22626
   11    10 S   HC   HB11    11     1.09825   109.51381   -49.55466
   12    10 S   HC   HB12    12     1.09838   110.30696    66.99435
   13    10 S   CT   _CG1    13     1.53073   112.70182  -170.62145
   14    13 S   HC   HG11    14     1.09592   110.39874   -59.82827
   15    13 S   HC   HG12    15     1.09620   110.15462    59.48919
   16    13 S   C    _CD1    16     1.51790   112.00773   179.88131
   17    16 S   O    _OE1    17     1.22759   123.10027    -7.33441
   18    16 S   N    _N2_    18     1.38677   111.83716   172.57765
   19    18 S   H    _HN2    19     1.01569   119.22757     2.66242
   20    18 S   CT1  _CA2    20     1.46289   123.08034  -175.51005
   21    20 S   HC   _HA2    21     1.09740   109.19635    -9.44615
   22    20 S   C    _C2_    22     1.53358   108.73185  -125.25304
   23    22 S   O    _O2_    23     1.23018   122.22091  -146.62916
   24    20 S   CT   _CB2    32     1.53725   111.71347   111.99452
   25    24 S   HC   HB21    33     1.09538   109.54289    61.53011
   26    24 S   HC   HB22    34     1.09404   109.69234  -179.72164
   27    22 S   N    _N3_    24     1.38510   113.41246    40.75976
   28    27 S   H    _HN3    25     1.01519   118.88313    -0.62338
   29    24 S   S    _SG2    35     1.82828   111.21704   -58.47087
   30    27 S   CT   _CA3    26     1.45441   123.44002   175.08263
   31    30 S   HC   HA31    27     1.09524   109.23277    24.66940
   32    30 S   HC   HA32    28     1.09496   107.12951   141.66825
   33    29 S   CT   _C19    36     1.88770   102.55894  -168.60674
   34    30 S   CO3  _C3_    29     1.52921   113.09483   -98.80331
   35    34 S   O2Z  _O31    30     1.26404   115.39199   -45.04296
   36    34 S   O2Z  _O32    31     1.26354   114.99424   135.89867
   37    33 S   CT   _C14    37     1.58509   110.03450  -169.37382
   38    37 S   HC   _H35    38     1.10040   106.76592   163.78598
   39    33 S   CT   _C22    82     1.54195   108.61047   -46.26639
   40    39 S   HC   _H46    83     1.09586   111.55708    75.04713
   41    39 S   HC   _H47    84     1.09438   112.64250   -45.93551
   42    39 S   HC   _H48    85     1.09618   111.39240  -165.76415
   43    37 S   CM   _C4_    39     1.53074   103.98652   -83.53656
   44    37 S   CT   _C17    52     1.53983   115.57212    44.03632
   45    44 S   HC   _H38    53     1.09762   110.01425   -66.02358
   46    43 S   CM   _C5_    40     1.35321   128.62789   171.76150
   47    43 S   CT   _C12    76     1.52513   108.64300   -12.49329
   48    47 S   HC   _H31    77     1.09795   108.47470   106.12955
   49    47 S   HC   _H32    78     1.09773   112.43044  -135.04580
   50    46 S   CT   _C13    41     1.51801   125.46780     3.78460
   51    50 S   HC   _H33    42     1.09802   108.20182    74.95630
   52    50 S   HC   _H34    43     1.09853   108.03646  -171.84958
   53    46 S   CT   _C23    71     1.51616   121.87185  -178.63284
   54    53 S   HC   _H49    72     1.09618   109.79125   127.91261
   55    53 S   HC   _H50    73     1.09251   113.80606     8.35529
   56    33 S   CT   _C16    79     1.56986   108.08787    78.12255
   57    56 S   OM   _O21    80     1.32739   111.60137  -166.51874
   58    56 S   HC   _H37    81     1.09859   109.40652   -34.69542
   59    50 S   CT   _C18    44     1.53256   118.64453   -50.89501
   60    59 S   HC   _H39    45     1.09798   107.63412  -171.32699
   61    53 S   OH   _O25    74     1.42174   109.32349  -112.92364
   62    61 S   HO   _H51    75     0.97204   106.96567   179.66721
   63    59 S   CT   _C15    46     1.52727   111.78283    69.75083
   64    63 S   HC   _H36    47     1.09947   109.42386    49.81623
   65    59 S   OS   _O26    57     1.44349   109.98082   -52.41046
   66    63 S   CM   _C6_    48     1.49588   117.15651   170.89541
   67    65 S   CO4  _C11    58     1.35627   118.22040   -82.42459
   68    67 S   O    _O23    59     1.22078   126.97801    -1.14021
   69    66 S   CO4  _C7_    49     1.47904   107.38763   152.47601
   70    69 S   O    _O22    50     1.21691   127.36430   166.16265
   71    66 S   CM   _C8_    54     1.33554   131.07720   -25.65269
   72    71 S   HC   _H28    55     1.08411   121.50231    -1.20008
   73    71 S   HC   _H29    56     1.08550   121.48336   178.80613
   74    67 S   CM   _C10    60     1.48539   108.26046   179.19061
   75    69 S   OS   _O24    51     1.36384   106.42886   -12.12366
   76    74 S   CM   _C9_    61     1.34470   120.48217  -135.79023
   77    76 S   HC   _H30    62     1.08918   117.79861  -177.88437
   78    74 S   CT   _C21    67     1.50095   116.99234    46.09073
   79    78 S   HC   _H43    68     1.09501   110.72557   -70.79069
   80    78 S   HC   _H44    69     1.09514   110.43087    49.45451
   81    78 S   HC   _H45    70     1.09528   111.94195   169.10850
   82    76 S   CT   _C20    63     1.49580   128.19077     4.01674
   83    82 S   HC   _H40    64     1.09400   109.98849  -109.03869
   84    82 S   HC   _H41    65     1.09506   109.33229   132.43123
   85    82 S   HC   _H42    66     1.09250   113.50741    13.11983
  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  23   9   9   3   2   1  19  15   6  16   7   4
   3  13   6   5   5   3   2   2   1   1  11   5   1   1  10   5
   6   6   9   3   5   2   3   1   1  10   1   9   5   4   2   1
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    56    57    58    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    63    75    44    45    47    48    49    56    57    58    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    59    63    64    66    69    75    44    45    53    47    48    49    56    57    58    39    40    41    42  
   43    46    63    75    44    45    47    56    39  
   40    41    42    43    44    47    56    57    58  
   41    42    56  
   42    56  
   56  
   46    50    51    52    59    63    75    44    45    53    54    55    61    47    48    49    56    57    58  
   45    71    65    47    56    46    50    59    60    63    64    66    69    70    75  
   59    63    64    66    69    75  
   50    51    52    59    60    63    65    53    54    55    61    62    47    48    49    56  
   48    49    56    57    58    50    53  
   49    56    57    58  
   56    57    58  
   51    52    59    60    63    64    66    65    67    53    54    55    61  
   52    59    60    63    65    53  
   59    60    63    65    53  
   54    55    61    62    59  
   55    61    62  
   61    62  
   57    58  
   58  
    0  
   60    63    64    66    69    75    71    65    67    68    74  
   63    64    66    65    67  
   62  
    0  
   64    66    69    70    75    71    72    73    65    67  
   66    69    75    71    65  
   67    68    74    76    78    66  
   69    70    75    71    72    73  
   68    74    76    77    82    78    79    80    81  
   74    76    78  
   70    75    71    72    73  
   75    71  
   72    73    75  
   73  
    0  
   76    77    82    83    84    85    78    79    80    81  
    0  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   58   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   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    56   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    44   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    75   214.000  1.327
   75    44   320.000  1.410
   44    45   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   320.000  1.462
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   320.000  1.410
   61    62   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   570.000  1.307
   56    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    56    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    50.00000  109.50000
   33    56    58    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    63    58.35000  112.70000
   37    44    75    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    56    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    59    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    61    90.00000  110.39200
   50    59    60    37.50000  110.70000
   50    59    63    58.35000  112.70000
   50    59    65    50.00000  109.50000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    66    70.00000  112.02700
   59    63    44    58.35000  112.70000
   59    65    67    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    44    75    50.00000  109.50000
   63    44    45    37.50000  110.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    75    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    75    44    83.00000  116.90000
   75    69    70    83.00000  123.40000
   75    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    63    64    37.50000  110.70000
   44    63    66    70.00000  112.02700
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    90.00000  111.29400
   67    74    76    65.00000  118.96000
   67    74    78    65.00000  116.34900
   74    67    68    80.00000  123.72100
   74    76    77    35.00000  120.00000
   74    76    82    70.00000  124.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    74    76    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
   53    46    50    65.00000  117.92700
   53    61    62    55.00000  108.50000
   55    53    54    33.00000  107.80000
   61    53    54    35.00000  109.50000
   61    53    55    35.00000  109.50000
   47    43    46    70.00000  124.00000
   47    56    57    50.00000  109.50000
   47    56    58    37.50000  110.70000
   49    47    48    33.00000  107.80000
   56    33    37    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   58    56    57    45.00000  125.66300
   39    33    37    58.35000  112.70000
   39    33    56    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    58   0.15000  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    42   0.15000  1.0 3.0
   33    37    43    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    63   0.56750  1.0 1.0
   33    37    44    63  -0.07550 -1.0 2.0
   33    37    44    63   0.20000  1.0 3.0
   33    37    44    75   0.62750  1.0 1.0
   33    37    44    75  -0.30950 -1.0 2.0
   33    37    44    75   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   37    33   -56    47   0.56750  1.0 1.0
   37    33   -56    47  -0.07550 -1.0 2.0
   37    33   -56    47   0.20000  1.0 3.0
   37    33    56    57   0.62750  1.0 1.0
   37    33    56    57  -0.30950 -1.0 2.0
   37    33    56    57   0.27300  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    56   0.46850  1.0 1.0
   37    43   -47    56   0.08550 -1.0 2.0
   37    43   -47    56   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    63   0.15000  1.0 3.0
   38    37    44    75   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    63   0.34400  1.0 1.0
   43    37    44    63   0.09450 -1.0 2.0
   43    37    44    63   0.11100  1.0 3.0
   43    37    44    75   0.61850  1.0 1.0
   43    37    44    75  -0.22750 -1.0 2.0
   43    37    44    75   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    59   0.09850  1.0 1.0
   43    46    50    59   0.15250 -1.0 2.0
   43    46    50    59  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    61   0.67800  1.0 1.0
   43    46    53    61   0.47050 -1.0 2.0
   43    46    53    61  -0.62500  1.0 3.0
   43    47   -56    33   0.34400  1.0 1.0
   43    47   -56    33   0.09450 -1.0 2.0
   43    47   -56    33   0.11100  1.0 3.0
   43    47    56    57   0.61850  1.0 1.0
   43    47    56    57  -0.22750 -1.0 2.0
   43    47    56    57   0.15300  1.0 3.0
   43    47    56    58   0.15000  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    56   0.09850  1.0 1.0
   46    43    47    56   0.15250 -1.0 2.0
   46    43    47    56  -0.50650  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    63   0.34400  1.0 1.0
   46    50    59    63   0.09450 -1.0 2.0
   46    50    59    63   0.11100  1.0 3.0
   46    50    59    65   0.61850  1.0 1.0
   46    50    59    65  -0.22750 -1.0 2.0
   46    50    59    65   0.15300  1.0 3.0
   46    53    61    62  -0.07800  1.0 1.0
   46    53    61    62  -0.21500 -1.0 2.0
   46    53    61    62  -0.03150  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    61   0.18000  1.0 1.0
   50    46    53    61   0.16450 -1.0 2.0
   50    46    53    61   0.04450  1.0 3.0
   50    59    63    64   0.15000  1.0 3.0
   50    59    63    66   0.34400  1.0 1.0
   50    59    63    66   0.09450 -1.0 2.0
   50    59    63    66   0.11100  1.0 3.0
   50    59    63    44   0.56750  1.0 1.0
   50    59    63    44  -0.07550 -1.0 2.0
   50    59    63    44   0.20000  1.0 3.0
   50    59    65    67  -0.25900  1.0 1.0
   50    59    65    67  -0.47000 -1.0 2.0
   50    59    65    67   0.11750  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.15000  1.0 3.0
   51    50    59    65   0.23400  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.15000  1.0 3.0
   52    50    59    65   0.23400  1.0 3.0
   59    63    66    69   0.09700  1.0 1.0
   59    63    66    69   0.15600 -1.0 2.0
   59    63    66    69  -0.50800  1.0 3.0
   59    63    66    71   0.09850  1.0 1.0
   59    63    66    71   0.15250 -1.0 2.0
   59    63    66    71  -0.50650  1.0 3.0
   59    63    44    37   0.56750  1.0 1.0
   59    63    44    37  -0.07550 -1.0 2.0
   59    63    44    37   0.20000  1.0 3.0
   59    63    44    75   0.62750  1.0 1.0
   59    63    44    75  -0.30950 -1.0 2.0
   59    63    44    75   0.27300  1.0 3.0
   59    63    44    45   0.15000  1.0 3.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    74   2.00000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    44   0.15000  1.0 3.0
   60    59    65    67   0.08050  1.0 3.0
   63    59    65    67  -0.25900  1.0 1.0
   63    59    65    67  -0.47000 -1.0 2.0
   63    59    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    75  -0.15000  1.0 1.0
   63    66   -69    75   0.89550 -1.0 2.0
   63    66   -69    75  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    44    37   0.15000  1.0 3.0
   64    63    44    75   0.23400  1.0 3.0
   64    63    44    45   0.15000  1.0 3.0
   66    63    44    37   0.34400  1.0 1.0
   66    63    44    37   0.09450 -1.0 2.0
   66    63    44    37   0.11100  1.0 3.0
   66    63   -44    75   0.61850  1.0 1.0
   66    63   -44    75  -0.22750 -1.0 2.0
   66    63   -44    75   0.15300  1.0 3.0
   66    63    44    45   0.15000  1.0 3.0
   66    69   -75    44   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    75    44    37  -0.25900  1.0 1.0
   69    75    44    37  -0.47000 -1.0 2.0
   69    75    44    37   0.11750  1.0 3.0
   69    75   -44    63  -0.25900  1.0 1.0
   69    75   -44    63  -0.47000 -1.0 2.0
   69    75   -44    63   0.11750  1.0 3.0
   69    75    44    45   0.08050  1.0 3.0
   70    69    75    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    63   -66    69   0.09700  1.0 1.0
   44    63   -66    69   0.15600 -1.0 2.0
   44    63   -66    69  -0.50800  1.0 3.0
   44    63    66    71   0.09850  1.0 1.0
   44    63    66    71   0.15250 -1.0 2.0
   44    63    66    71  -0.50650  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    75  -0.56150  1.0 1.0
   71    66    69    75   2.19150 -1.0 2.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    66   0.61850  1.0 1.0
   65    59    63    66  -0.22750 -1.0 2.0
   65    59    63    66   0.15300  1.0 3.0
   65    59    63    44   0.62750  1.0 1.0
   65    59    63    44  -0.30950 -1.0 2.0
   65    59    63    44   0.27300  1.0 3.0
   65    67    74    76  -0.56150  1.0 1.0
   65    67    74    76   2.19150 -1.0 2.0
   65    67    74    78  -0.15000  1.0 1.0
   65    67    74    78   0.89550 -1.0 2.0
   65    67    74    78  -0.06900  1.0 3.0
   67    74    76    77   7.00000 -1.0 2.0
   67    74    76    82   7.00000 -1.0 2.0
   67    74    78    79   0.15000  1.0 3.0
   67    74    78    80   0.15000  1.0 3.0
   67    74    78    81   0.15000  1.0 3.0
   68    67    74    76   1.00000 -1.0 2.0
   68    67    74    78  -0.64400  1.0 1.0
   68    67    74    78   0.26850 -1.0 2.0
   74    76    82    83   0.00000  1.0 1.0
   74    76    82    84   0.00000  1.0 1.0
   74    76    82    85   0.00000  1.0 1.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    82   7.00000 -1.0 2.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    59   0.46850  1.0 1.0
   53    46    50    59   0.08550 -1.0 2.0
   53    46    50    59   0.09800  1.0 3.0
   54    53    61    62   0.19450  1.0 3.0
   55    53    61    62   0.19450  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.23400  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.23400  1.0 3.0
   49    47    56    58   0.15000  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33   -37    43   0.34400  1.0 1.0
   56    33   -37    43   0.09450 -1.0 2.0
   56    33   -37    43   0.11100  1.0 3.0
   56    33    37    44   0.56750  1.0 1.0
   56    33    37    44  -0.07550 -1.0 2.0
   56    33    37    44   0.20000  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    33    39    42   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    56    47   0.56750  1.0 1.0
   39    33    56    47  -0.07550 -1.0 2.0
   39    33    56    47   0.20000  1.0 3.0
   39    33    56    57   0.62750  1.0 1.0
   39    33    56    57  -0.30950 -1.0 2.0
   39    33    56    57   0.27300  1.0 3.0
   39    33    56    58   0.15000  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    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    75    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
   67    78    74    76  15.00000 -1.0 2.0
   82    77    76    74  15.00000 -1.0 2.0
END
