* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    249     493
    1     0 S   NP   _N1_     1    28.38868    95.59523   -20.70465
    2     1 S   H    _HN1     2     1.02836    37.73257   133.74045
    3     1 S   H    _H1_     3     1.02778    89.89501  -105.97426
    4     1 S   H    _H2_     4     1.02960    82.28820     2.53034
    5     1 S   CT   _CA1     5     1.50128   147.82436   118.96979
    6     5 S   HC   _HA1     6     1.09576   105.22777    68.79103
    7     5 S   CO3  _C1_     7     1.53785   112.32276   -51.41220
    8     7 S   O2Z  _O11     8     1.26365   114.99988   -45.09596
    9     7 S   O2Z  _O12     9     1.26235   114.92657   133.99410
   10     5 S   CT   _CB1    10     1.53093   107.41929  -173.32303
   11    10 S   HC   HB11    11     1.09827   109.33227   -50.75866
   12    10 S   HC   HB12    12     1.09819   110.43090    65.78704
   13    10 S   CT   _CG1    13     1.53022   112.67121  -171.84033
   14    13 S   HC   HG11    14     1.09597   110.47774   -64.02416
   15    13 S   HC   HG12    15     1.09654   109.94728    55.18858
   16    13 S   C    _CD1    16     1.51828   112.28305   175.54539
   17    16 S   O    _OE1    17     1.22747   123.27243    -0.37794
   18    16 S   N    _N2_    18     1.38541   111.73837   179.42733
   19    18 S   H    _HN2    19     1.01591   119.06510     4.36161
   20    18 S   CT1  _CA2    20     1.45794   122.95918   177.72041
   21    20 S   HC   _HA2    21     1.09520   109.14005    15.71964
   22    20 S   C    _C2_    22     1.52770   106.12646  -101.57791
   23    22 S   O    _O2_    23     1.23025   122.63073   -36.94875
   24    20 S   CT   _CB2    32     1.53182   112.25349   139.29892
   25    24 S   HC   HB21    33     1.09655   109.85632    60.15529
   26    24 S   HC   HB22    34     1.09546   111.08627   177.68235
   27    22 S   N    _N3_    24     1.38369   112.97711   145.67658
   28    27 S   H    _HN3    25     1.01560   120.54072    -3.90786
   29    24 S   S    _SG2    35     1.82797   113.42674   -59.00813
   30    27 S   CT   _CA3    26     1.45386   122.32021   178.38990
   31    30 S   HC   HA31    27     1.09571   107.64298   -58.25489
   32    30 S   HC   HA32    28     1.09563   107.75165    58.05262
   33    29 S   CT   _C25    36     1.82746    99.88435   -75.41681
   34    33 S   HC   _H3_    37     1.09337   107.93559   -64.64937
   35    33 S   HC   _H4_    38     1.09000   106.73746    52.66568
   36    30 S   CO3  _C3_    29     1.52848   114.38635   179.74977
   37    36 S   O2Z  _O31    30     1.26316   116.02465    -5.59727
   38    36 S   O2Z  _O32    31     1.26421   114.45915   174.45532
   39    33 S   CT   _C17    39     1.53215   111.95698   172.97200
   40    39 S   HC   _H40    40     1.09707   110.83887   -51.66112
   41    39 S   CO4  _C8_    41     1.51100   110.93449    69.76168
   42    41 S   O    _O23    42     1.22139   125.91261   -78.13191
   43    41 S   OS   _O26    43     1.36284   110.24944   100.74303
   44    43 S   CT   _C15    44     1.43497   110.49099     2.80372
   45    44 S   HC   _H38    45     1.09187   107.75166   -99.93511
   46    44 S   CM   _C4_    46     1.49663   106.95317   138.43891
   47    46 S   HC   _H31    47     1.09129   113.43250   -69.48185
   48    39 S   CT   _C18    62     1.54868   116.29632  -175.59433
   49    48 S   HC   _H41    63     1.10134   105.07550   158.77062
   50    46 S   CM   _C6_    48     1.34804   129.00826   119.33455
   51    50 S   CT   _C13    49     1.52115   117.60167   160.51572
   52    51 S   HC   _H34    50     1.09913   110.49464    36.39890
   53    51 S   HC   _H35    51     1.09730   110.58693   151.70017
   54    50 S   CT   _C20    90     1.49900   126.01423   -11.35872
   55    54 S   HC   _H43    91     1.09382   110.88977   119.65344
   56    54 S   HC   _H44    92     1.09127   113.08557    -1.50415
   57    54 S   HC   _H45    93     1.09511   109.67190  -121.16334
   58    51 S   CT   _C16    52     1.55382   111.60358   -85.73623
   59    58 S   HC   _H39    53     1.09287   109.44182   -78.17511
   60    58 S   CM   _C5_    54     1.51354   110.88112    45.88460
   61    60 S   HC   _H32    55     1.08975   114.46375    70.92976
   62    58 S   OH   _O27    88     1.42538   109.40482   164.93418
   63    62 S   HO   _H59    89     0.97237   107.42956    58.22148
   64    60 S   CM   _C7_    56     1.35069   126.09525   -96.55410
   65    64 S   CT   _C14    57     1.51794   120.30390   163.56701
   66    65 S   HC   _H36    58     1.09809   110.06527    16.39048
   67    65 S   HC   _H37    59     1.09825   106.84409   129.96164
   68    64 S   CT   _C21    84     1.50485   123.83201   -15.51334
   69    68 S   HC   _H46    85     1.09233   111.22737   103.05727
   70    68 S   HC   _H47    86     1.09245   113.06472   -18.59492
   71    68 S   HC   _H48    87     1.09447   109.97260  -136.60209
   72    65 S   CT   _C19    60     1.55999   117.89131  -107.79382
   73    72 S   HC   _H42    61     1.09963   104.76131  -171.82245
   74    72 S   OS   _O28    64     1.44368   111.25513   -54.91590
   75    74 S   CO4  _C11    65     1.35942   117.76097   -79.47546
   76    75 S   O    _O24    66     1.22117   126.94541    -0.59742
   77    75 S   CM   _C10    67     1.48246   108.91205   179.82417
   78    77 S   CM   _C9_    68     1.34503   119.99747  -127.47681
   79    78 S   HC   _H33    69     1.08956   117.67640  -176.42182
   80    77 S   CT   _C24    74     1.50239   117.34348    58.16158
   81    80 S   HC   _H55    75     1.09651   110.89268   158.63237
   82    80 S   HC   _H56    76     1.09585   109.67641    39.24428
   83    78 S   CT   _C22    70     1.49524   128.42715     4.01112
   84    83 S   HC   _H49    71     1.09433   109.71514  -117.02895
   85    83 S   HC   _H50    72     1.09471   109.48255   124.47453
   86    83 S   HC   _H51    73     1.09186   113.73041     4.22624
   87    80 S   OS   _O29    77     1.43564   109.82984   -81.35900
   88    87 S   CO4  _C12    78     1.36412   114.75760   177.70953
   89    88 S   O    _O25    79     1.22375   126.13169    -2.12449
   90    88 S   CT   _C23    80     1.49769   110.01584   179.13024
   91    90 S   HC   _H52    81     1.09380   109.26429  -165.55877
   92    90 S   HC   _H53    82     1.09193   109.80080    74.79364
   93    90 S   HC   _H54    83     1.09320   110.07278   -47.25938
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  11  13   6   5   4   2   1   1   8   5  12   4   2   1  10
  10   5   4   4   2   1   1   5   2   5   9   3  11   9   5   7
   3   2   3   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    72    73    48    49    74  
   41    42    43    44    72    48    49  
   42    43    44    45    46    72    48    49  
   43    44    48  
   44    45    46    47    50    72    48    49  
   45    46    47    50    51    65    72    73    48    49    74    54  
   46    47    50    72    48    49  
   47    50    51    52    53    58    72    48    49    54    55    56    57  
   50    51    48    54  
   49    74    75    50    64    65    66    67    72    73  
   74    65    72    73  
   51    52    53    58    59    60    62    54    55    56    57  
   52    53    58    59    60    61    64    62    63    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    64    65    68    62    63  
   60    61    64    62    63  
   61    64    65    66    67    72    68    69    70    71    62    63  
   64    65    68    62  
   63    64  
    0  
   65    66    67    72    73    74    68    69    70    71  
   66    67    72    73    74    75    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75  
   75    76    77    78    80  
   76    77    78    79    83    80    81    82    87  
   77    78    80  
   78    79    83    84    85    86    80    81    82    87    88  
   79    83    84    85    86    80    81    82    87  
   83    84    85    86    80  
   81    82    87    88    89    90    83  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    62   320.000  1.410
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    48   268.000  1.529
   72    74   320.000  1.410
   48    49   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   214.000  1.327
   88    89   570.000  1.229
   88    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    72    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    72    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    58    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    70.00000  112.02700
   51    58    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    35.00000  117.00000
   58    60    64    70.00000  124.00000
   58    62    63    55.00000  108.50000
   60    58    59    35.00000  109.50000
   60    64    65    70.00000  124.00000
   60    64    68    70.00000  124.00000
   64    60    61    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    72    70.00000  112.02700
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   65    72    73    37.50000  110.70000
   65    72    48    58.35000  112.70000
   65    72    74    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    48    49    37.50000  110.70000
   72    74    75    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    72    73    37.50000  110.70000
   74    72    73    35.00000  109.50000
   74    72    48    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    83    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    87    85.00000  110.90400
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   83    78    79    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   80    77    78    70.00000  124.00000
   80    87    88    83.00000  116.90000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    88    89    83.00000  123.40000
   87    88    90    81.00000  111.40000
   88    90    91    35.00000  109.50000
   88    90    92    35.00000  109.50000
   88    90    93    35.00000  109.50000
   90    88    89    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   68    64    65    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    90.00000  110.39200
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    72   0.56750  1.0 1.0
   33    39    48    72  -0.07550 -1.0 2.0
   33    39    48    72   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    72   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    72  -0.95700  1.0 1.0
   41    39    48    72  -0.18200 -1.0 2.0
   41    39    48    72   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    72   0.62750  1.0 1.0
   43    44    48    72  -0.30950 -1.0 2.0
   43    44    48    72   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    72   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    72   0.34400  1.0 1.0
   46    44    48    72   0.09450 -1.0 2.0
   46    44    48    72   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    58   0.09850  1.0 1.0
   46    50    51    58   0.15250 -1.0 2.0
   46    50    51    58  -0.50650  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    60   0.31000  1.0 1.0
   50    51    58    60   0.14700 -1.0 2.0
   50    51    58    60   0.07550  1.0 3.0
   50    51    58    62   1.05650  1.0 1.0
   50    51    58    62   0.15600 -1.0 2.0
   50    51    58    62   0.53150  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    50    54    57   0.34800  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    64   0.09850  1.0 1.0
   51    58    60    64   0.15250 -1.0 2.0
   51    58    60    64  -0.50650  1.0 3.0
   51    58    62    63  -0.11600  1.0 1.0
   51    58    62    63  -0.09450 -1.0 2.0
   51    58    62    63   0.21250  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.23400  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.23400  1.0 3.0
   58    60    64    65   7.00000 -1.0 2.0
   58    60    64    68   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    64   0.00000  1.0 1.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.07800  1.0 1.0
   60    58    62    63  -0.21500 -1.0 2.0
   60    58    62    63  -0.03150  1.0 3.0
   60    64    65    66   0.00000  1.0 1.0
   60    64    65    67   0.00000  1.0 1.0
   60    64    65    72   0.09850  1.0 1.0
   60    64    65    72   0.15250 -1.0 2.0
   60    64    65    72  -0.50650  1.0 3.0
   60    64    68    69   0.00000  1.0 1.0
   60    64    68    70   0.00000  1.0 1.0
   60    64    68    71   0.00000  1.0 1.0
   61    60    64    65   7.00000 -1.0 2.0
   61    60    64    68   7.00000 -1.0 2.0
   64    65    72    73   0.15000  1.0 3.0
   64    65    72    48   0.34400  1.0 1.0
   64    65    72    48   0.09450 -1.0 2.0
   64    65    72    48   0.11100  1.0 3.0
   64    65    72    74   0.61850  1.0 1.0
   64    65    72    74  -0.22750 -1.0 2.0
   64    65    72    74   0.15300  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    64    68    70   0.34800  1.0 3.0
   65    64    68    71   0.34800  1.0 3.0
   65    72    48    39   0.56750  1.0 1.0
   65    72    48    39  -0.07550 -1.0 2.0
   65    72    48    39   0.20000  1.0 3.0
   65    72    48    44   0.56750  1.0 1.0
   65    72    48    44  -0.07550 -1.0 2.0
   65    72    48    44   0.20000  1.0 3.0
   65    72    48    49   0.15000  1.0 3.0
   65    72    74    75  -0.25900  1.0 1.0
   65    72    74    75  -0.47000 -1.0 2.0
   65    72    74    75   0.11750  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    48   0.15000  1.0 3.0
   66    65    72    74   0.23400  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    48   0.15000  1.0 3.0
   67    65    72    74   0.23400  1.0 3.0
   72    74    75    76   3.00000 -1.0 2.0
   72    74    75    77   2.00000 -1.0 2.0
   73    72    48    39   0.15000  1.0 3.0
   73    72    48    44   0.15000  1.0 3.0
   73    72    48    49   0.15000  1.0 3.0
   73    72    74    75   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    72    74    75  -0.25900  1.0 1.0
   48    72    74    75  -0.47000 -1.0 2.0
   48    72    74    75   0.11750  1.0 3.0
   74    72    48    39   0.62750  1.0 1.0
   74    72    48    39  -0.30950 -1.0 2.0
   74    72    48    39   0.27300  1.0 3.0
   74    72    48    44   0.62750  1.0 1.0
   74    72    48    44  -0.30950 -1.0 2.0
   74    72    48    44   0.27300  1.0 3.0
   74    72    48    49   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    83   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    87   0.09700  1.0 1.0
   75    77    80    87   0.15600 -1.0 2.0
   75    77    80    87  -0.50800  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    85   0.00000  1.0 1.0
   77    78    83    86   0.00000  1.0 1.0
   77    80    87    88  -0.82050  1.0 1.0
   77    80    87    88   0.00600 -1.0 2.0
   77    80    87    88   0.04400  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    87   0.39000  1.0 1.0
   78    77    80    87  -0.05800 -1.0 2.0
   78    77    80    87  -0.55150  1.0 3.0
   79    78    83    84   0.33100  1.0 3.0
   79    78    83    85   0.33100  1.0 3.0
   79    78    83    86   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    83   7.00000 -1.0 2.0
   80    87    88    89   3.00000 -1.0 2.0
   80    87    88    90   1.63150  1.0 1.0
   80    87    88    90   2.92000 -1.0 2.0
   81    80    87    88   0.08050  1.0 3.0
   82    80    87    88   0.08050  1.0 3.0
   87    88    90    91   0.00000  1.0 1.0
   87    88    90    92   0.00000  1.0 1.0
   87    88    90    93   0.00000  1.0 1.0
   89    88    90    91   0.00000  1.0 1.0
   89    88    90    92   0.00000  1.0 1.0
   89    88    90    93   0.00000  1.0 1.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    72   0.46850  1.0 1.0
   68    64    65    72   0.08550 -1.0 2.0
   68    64    65    72   0.09800  1.0 3.0
   62    58    60    61   0.00000  1.0 1.0
   62    58    60    64   0.67800  1.0 1.0
   62    58    60    64   0.47050 -1.0 2.0
   62    58    60    64  -0.62500  1.0 3.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    58   0.46850  1.0 1.0
   54    50    51    58   0.08550 -1.0 2.0
   54    50    51    58   0.09800  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
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   58    61    60    64   1.10000 -1.0 2.0
   65    68    64    60   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   83    79    78    77  15.00000 -1.0 2.0
   87    90    88    89  10.50000 -1.0 2.0
END
