* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    242     458
    1     0 S   NP   _N1_     1    28.65059    94.67502   -23.88203
    2     1 S   H    _HN1     2     1.02977    81.20401    28.56090
    3     1 S   H    _H1_     3     1.02820    28.46553  -176.26598
    4     1 S   H    _H2_     4     1.02775   106.08244   -78.05029
    5     1 S   CT   _CA1     5     1.50178   132.95791   138.14174
    6     5 S   HC   _HA1     6     1.09586   105.18015    80.47360
    7     5 S   CO3  _C1_     7     1.53773   112.48366   -39.46161
    8     7 S   O2Z  _O11     8     1.26345   115.03266   -40.72558
    9     7 S   O2Z  _O12     9     1.26262   114.91841   138.30799
   10     5 S   CT   _CB1    10     1.53066   107.29000  -161.84251
   11    10 S   HC   HB11    11     1.09818   109.02135   -52.23891
   12    10 S   HC   HB12    12     1.09826   110.43475    64.13055
   13    10 S   CT   _CG1    13     1.53014   112.92741  -173.58467
   14    13 S   HC   HG11    14     1.09597   110.21871   -65.97693
   15    13 S   HC   HG12    15     1.09641   110.19664    53.25053
   16    13 S   C    _CD1    16     1.51820   112.21000   173.19041
   17    16 S   O    _OE1    17     1.22722   123.17641   -11.79891
   18    16 S   N    _N2_    18     1.38622   111.82790   169.45684
   19    18 S   H    _HN2    19     1.01567   119.09284     1.55053
   20    18 S   CT1  _CA2    20     1.46096   123.28273  -179.81655
   21    20 S   HC   _HA2    21     1.09616   109.37651    -2.10951
   22    20 S   C    _C2_    22     1.53485   108.75078  -117.46996
   23    22 S   O    _O2_    23     1.23046   122.12516  -146.05897
   24    20 S   CT   _CB2    32     1.53333   111.58173   120.10824
   25    24 S   HC   HB21    33     1.09651   109.74775    61.08798
   26    24 S   HC   HB22    34     1.09581   110.91816   178.51167
   27    22 S   N    _N3_    24     1.38484   113.60169    41.37750
   28    27 S   H    _HN3    25     1.01497   118.98057    -0.45024
   29    24 S   S    _SG2    35     1.82735   114.55731   -58.91503
   30    27 S   CT   _CA3    26     1.45433   123.37410   175.22254
   31    30 S   HC   HA31    27     1.09527   109.23244    25.64188
   32    30 S   HC   HA32    28     1.09499   107.15785   142.60700
   33    29 S   CT   _C23    36     1.82097    99.77367   -64.73969
   34    33 S   HC   _H3_    37     1.09338   110.33162   -40.41274
   35    33 S   HC   _H4_    38     1.09394   108.15970    76.03435
   36    30 S   CO3  _C3_    29     1.52895   112.96935   -97.82687
   37    36 S   O2Z  _O31    30     1.26409   115.30531   -48.56623
   38    36 S   O2Z  _O32    31     1.26339   115.05887   132.32929
   39    33 S   CM   _C6_    39     1.49978   110.23525  -162.24243
   40    39 S   CMA  _C7_    40     1.35301   126.92307  -104.58162
   41    40 S   OM   _O21    41     1.26291   128.28407    -0.11014
   42    40 S   OS   _O25    42     1.43100   109.32251   178.28696
   43    42 S   CT   _C16    43     1.44707   105.34880    20.69077
   44    43 S   HC   _H34    44     1.09540   107.47536  -152.15939
   45    43 S   CO4  _C9_    45     1.54213   104.99157    92.89962
   46    45 S   O    _O23    46     1.23587   122.14295    -8.13497
   47    39 S   CT   _C14    60     1.50220   123.18414    71.22965
   48    47 S   HC   _H32    61     1.10314   103.54885   -89.53849
   49    45 S   CT   _C15    47     1.52286   119.54626   166.95366
   50    49 S   HC   _H33    48     1.09842   106.76594   152.50219
   51    49 S   CT   _C13    49     1.52674   112.37343    32.79084
   52    51 S   HC   _H31    50     1.09898   107.51667   -75.00631
   53    49 S   CT   _C21    80     1.53076   107.96591   -91.76232
   54    53 S   HC   _H42    81     1.09564   111.31716    66.11866
   55    53 S   HC   _H43    82     1.09584   110.83832   -53.17390
   56    53 S   HC   _H44    83     1.09405   111.50374  -172.92743
   57    51 S   CM   _C5_    51     1.50685   114.86791   168.29632
   58    57 S   HC   _H29    52     1.08222   122.89007    43.52074
   59    57 S   CM   _C4_    53     1.33388   114.64818  -141.80447
   60    59 S   HC   _H28    54     1.07530   128.74939  -176.00727
   61    59 S   CO4  _C8_    55     1.47019   105.60492     3.60217
   62    61 S   O    _O22    56     1.22228   122.54935  -171.85011
   63    51 S   CT   _C18    57     1.55368   114.60798    48.43850
   64    63 S   CT   _C17    58     1.53947   111.59628   -96.28777
   65    64 S   HC   _H35    59     1.09557   108.00393  -171.32878
   66    63 S   CT   _C22    76     1.54095   116.16417    33.97553
   67    66 S   HC   _H45    77     1.09127   113.30551   -72.45408
   68    66 S   HC   _H46    78     1.09700   110.61655   167.68724
   69    66 S   HC   _H47    79     1.09637   111.59834    49.24025
   70    64 S   OS   _O26    62     1.46295   107.14040   -55.65366
   71    70 S   CO4  _C12    63     1.35963   118.54311  -136.76806
   72    71 S   O    _O24    64     1.21841   127.09101     0.33220
   73    71 S   CM   _C10    65     1.48188   106.96966   179.55325
   74    73 S   HC   _H30    66     1.08761   115.12896   -22.08930
   75    73 S   CM   _C11    67     1.34547   125.35171   158.97891
   76    75 S   CT   _C19    68     1.50700   119.83237   177.42230
   77    76 S   HC   _H36    69     1.09498   110.32346   118.33146
   78    76 S   HC   _H37    70     1.09521   112.43868    -1.83664
   79    76 S   HC   _H38    71     1.09505   110.16449  -121.82749
   80    75 S   CT   _C20    72     1.50351   126.09995    -3.35468
   81    80 S   HC   _H39    73     1.09453   110.15085   105.11429
   82    80 S   HC   _H40    74     1.09181   113.50477   -16.92400
   83    80 S   HC   _H41    75     1.09582   110.12528  -135.65804
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  13   6  14   5  10   4
  14   8  19   8   5   2   1   1   8   4   6   3   9   3   8   9
   3   4   2   1   1   5   6   3  10   3   8   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    64    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    63    64    65    47    48    70  
   41    42    43    44    45    64    47    48  
   42    43    47  
   43    44    45    46    49    64    47    48  
   44    45    46    49    50    51    63    64    65    47    48    70    53  
   45    46    49    64    47    48  
   46    49    50    51    52    57    63    64    47    48    53    54    55    56  
   49    50    51    47    53  
   48    70    71    66    49    51    61    63    64    65  
   70    63    64    65  
   50    51    52    57    58    59    61    63    64    66    53    54    55    56  
   51    52    57    63    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    66    67    68    69    53    54    55    56  
   57    58    59    61    63    64    66    53  
   54    55    56    57    63  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    66  
   59    60    61    63  
   60    61    62    63    64    66  
   61    62    63  
   62    63    64    65    70    66    67    68    69  
   63    64    66  
   64    65    70    71    66    67    68    69  
   65    70    71    72    73    66    67    68    69  
   70    71    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73    74    75    76    80  
   73    74    75  
   74    75    76    77    78    79    80    81    82    83  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.522
   43    47   268.000  1.529
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.510
   51    63   268.000  1.529
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   320.000  1.462
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    47   268.000  1.529
   64    70   320.000  1.410
   47    48   340.000  1.090
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    64    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    90.00000  108.74100
   42    43    47    50.00000  109.50000
   43    45    46    80.00000  120.40000
   43    45    49    70.00000  116.00000
   43    47    64    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    63.00000  111.10000
   45    49    53    63.00000  111.10000
   49    45    46    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    57    70.00000  112.02700
   49    51    63    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    56    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    57    58    35.00000  117.00000
   51    57    59    70.00000  124.00000
   51    63    61    63.00000  111.10000
   51    63    64    58.35000  112.70000
   51    63    66    58.35000  112.70000
   57    51    52    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    61    65.00000  118.96000
   59    57    58    35.00000  120.00000
   59    61    62    80.00000  123.72100
   59    61    63    65.00000  118.62400
   61    59    60    40.00000  117.72500
   61    63    64    63.00000  111.10000
   61    63    66    63.00000  111.10000
   63    51    52    37.50000  110.70000
   63    51    57    70.00000  112.02700
   63    61    62    80.00000  120.40000
   63    64    65    37.50000  110.70000
   63    64    47    58.35000  112.70000
   63    64    70    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    47    48    37.50000  110.70000
   64    70    71    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    63.00000  111.10000
   47    64    65    37.50000  110.70000
   70    64    65    35.00000  109.50000
   70    64    47    50.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    40.00000  117.72500
   71    73    75    65.00000  118.96000
   73    71    72    80.00000  123.72100
   73    75    76    70.00000  124.00000
   73    75    80    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   66    63    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    64   0.46850  1.0 1.0
   33    39    47    64   0.08550 -1.0 2.0
   33    39    47    64   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    64   0.09850  1.0 1.0
   40    39    47    64   0.15250 -1.0 2.0
   40    39    47    64  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.30150 -1.0 2.0
   42    43    45    49   0.55300  1.0 1.0
   42    43    45    49   1.25850 -1.0 2.0
   42    43    45    49  -0.23600  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    64   0.62750  1.0 1.0
   42    43    47    64  -0.30950 -1.0 2.0
   42    43    47    64   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    51   0.60050  1.0 1.0
   43    45    49    51   0.05600 -1.0 2.0
   43    45    49    51   0.26150  1.0 3.0
   43    45    49    53   0.60050  1.0 1.0
   43    45    49    53   0.05600 -1.0 2.0
   43    45    49    53   0.26150  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    64   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39  -0.98800  1.0 1.0
   45    43    47    39   0.48800 -1.0 2.0
   45    43    47    39   0.76800  1.0 3.0
   45    43    47    64  -0.95700  1.0 1.0
   45    43    47    64  -0.18200 -1.0 2.0
   45    43    47    64   0.29450  1.0 3.0
   45    43    47    48  -0.11250  1.0 3.0
   45    49    51    52  -0.11250  1.0 3.0
   45    49    51    57  -0.98800  1.0 1.0
   45    49    51    57   0.48800 -1.0 2.0
   45    49    51    57   0.76800  1.0 3.0
   45    49    51    63  -0.95700  1.0 1.0
   45    49    51    63  -0.18200 -1.0 2.0
   45    49    51    63   0.29450  1.0 3.0
   45    49    53    54  -0.11250  1.0 3.0
   45    49    53    55  -0.11250  1.0 3.0
   45    49    53    56  -0.11250  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.30150 -1.0 2.0
   46    45    49    53   0.30150 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59   0.09850  1.0 1.0
   49    51    57    59   0.15250 -1.0 2.0
   49    51    57    59  -0.50650  1.0 3.0
   49    51    63    61  -0.95700  1.0 1.0
   49    51    63    61  -0.18200 -1.0 2.0
   49    51    63    61   0.29450  1.0 3.0
   49    51    63    64   0.56750  1.0 1.0
   49    51    63    64  -0.07550 -1.0 2.0
   49    51    63    64   0.20000  1.0 3.0
   49    51    63    66   0.56750  1.0 1.0
   49    51    63    66  -0.07550 -1.0 2.0
   49    51    63    66   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    57   0.15000  1.0 3.0
   50    49    51    63   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    56   0.15000  1.0 3.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57   -59    61   7.00000 -1.0 2.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    47   0.56750  1.0 1.0
   51    63    64    47  -0.07550 -1.0 2.0
   51    63    64    47   0.20000  1.0 3.0
   51    63    64    70   0.62750  1.0 1.0
   51    63    64    70  -0.30950 -1.0 2.0
   51    63    64    70   0.27300  1.0 3.0
   51    63    66    67   0.15000  1.0 3.0
   51    63    66    68   0.15000  1.0 3.0
   51    63    66    69   0.15000  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    63    61  -0.11250  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    66   0.15000  1.0 3.0
   57    51   -63    61  -0.98800  1.0 1.0
   57    51   -63    61   0.48800 -1.0 2.0
   57    51   -63    61   0.76800  1.0 3.0
   57    51    63    64   0.34400  1.0 1.0
   57    51    63    64   0.09450 -1.0 2.0
   57    51    63    64   0.11100  1.0 3.0
   57    51    63    66   0.34400  1.0 1.0
   57    51    63    66   0.09450 -1.0 2.0
   57    51    63    66   0.11100  1.0 3.0
   57    59    61    62   1.00000 -1.0 2.0
   57    59   -61    63  -0.33500  1.0 1.0
   57    59   -61    63   1.06600 -1.0 2.0
   57    59   -61    63  -0.14000  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61   -63    51   0.65300  1.0 1.0
   59    61   -63    51  -0.03850 -1.0 2.0
   59    61   -63    51   0.33900  1.0 3.0
   59    61    63    64   0.65300  1.0 1.0
   59    61    63    64  -0.03850 -1.0 2.0
   59    61    63    64   0.33900  1.0 3.0
   59    61    63    66   0.65300  1.0 1.0
   59    61    63    66  -0.03850 -1.0 2.0
   59    61    63    66   0.33900  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.04550  1.0 1.0
   60    59    61    63   0.83000 -1.0 2.0
   60    59    61    63  -0.04000  1.0 3.0
   61    63    64    65  -0.11250  1.0 3.0
   61    63    64    47  -0.95700  1.0 1.0
   61    63    64    47  -0.18200 -1.0 2.0
   61    63    64    47   0.29450  1.0 3.0
   61    63    64    70  -0.09450  1.0 1.0
   61    63    64    70  -1.12950 -1.0 2.0
   61    63    64    70   0.54000  1.0 3.0
   61    63    66    67  -0.11250  1.0 3.0
   61    63    66    68  -0.11250  1.0 3.0
   61    63    66    69  -0.11250  1.0 3.0
   62    61    63    51   0.30150 -1.0 2.0
   62    61    63    64   0.30150 -1.0 2.0
   62    61    63    66   0.30150 -1.0 2.0
   63    51    57    58   0.00000  1.0 1.0
   63    51   -57    59   0.09850  1.0 1.0
   63    51   -57    59   0.15250 -1.0 2.0
   63    51   -57    59  -0.50650  1.0 3.0
   63    64    47    39   0.34400  1.0 1.0
   63    64    47    39   0.09450 -1.0 2.0
   63    64    47    39   0.11100  1.0 3.0
   63    64    47    43   0.56750  1.0 1.0
   63    64    47    43  -0.07550 -1.0 2.0
   63    64    47    43   0.20000  1.0 3.0
   63    64    47    48   0.15000  1.0 3.0
   63    64    70    71  -0.25900  1.0 1.0
   63    64    70    71  -0.47000 -1.0 2.0
   63    64    70    71   0.11750  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    70    71    72   3.00000 -1.0 2.0
   64    70    71    73   2.00000 -1.0 2.0
   65    64    47    39   0.15000  1.0 3.0
   65    64    47    43   0.15000  1.0 3.0
   65    64    47    48   0.15000  1.0 3.0
   65    64    70    71   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    49   0.60050  1.0 1.0
   47    43    45    49   0.05600 -1.0 2.0
   47    43    45    49   0.26150  1.0 3.0
   47    64    70    71  -0.25900  1.0 1.0
   47    64    70    71  -0.47000 -1.0 2.0
   47    64    70    71   0.11750  1.0 3.0
   70    64    47    39   0.61850  1.0 1.0
   70    64    47    39  -0.22750 -1.0 2.0
   70    64    47    39   0.15300  1.0 3.0
   70    64    47    43   0.62750  1.0 1.0
   70    64    47    43  -0.30950 -1.0 2.0
   70    64    47    43   0.27300  1.0 3.0
   70    64    47    48   0.23400  1.0 3.0
   70    71    73    74   1.63100 -1.0 2.0
   70    71    73    75  -0.56150  1.0 1.0
   70    71    73    75   2.19150 -1.0 2.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    80   7.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   1.00000 -1.0 2.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    78   0.00000  1.0 1.0
   73    75    76    79   0.00000  1.0 1.0
   73    75    80    81   0.00000  1.0 1.0
   73    75    80    82   0.00000  1.0 1.0
   73    75    80    83   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    80   7.00000 -1.0 2.0
   76    75    80    81   0.34800  1.0 3.0
   76    75    80    82   0.34800  1.0 3.0
   76    75    80    83   0.34800  1.0 3.0
   80    75    76    77   0.34800  1.0 3.0
   80    75    76    78   0.34800  1.0 3.0
   80    75    76    79   0.34800  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    47   0.56750  1.0 1.0
   66    63    64    47  -0.07550 -1.0 2.0
   66    63    64    47   0.20000  1.0 3.0
   66    63    64    70   0.62750  1.0 1.0
   66    63    64    70  -0.30950 -1.0 2.0
   66    63    64    70   0.27300  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    57   0.34400  1.0 1.0
   53    49    51    57   0.09450 -1.0 2.0
   53    49    51    57   0.11100  1.0 3.0
   53    49    51    63   0.56750  1.0 1.0
   53    49    51    63  -0.07550 -1.0 2.0
   53    49    51    63   0.20000  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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    49    45    46  10.50000 -1.0 2.0
   51    58    57    59   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    74    73    75  15.00000 -1.0 2.0
   76    80    75    73  15.00000 -1.0 2.0
END
