* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    145    238     426
    1     0 S   NP   _N1_     1    29.29509    99.13948   -20.52502
    2     1 S   H    _HN1     2     1.02946    58.82841    19.25051
    3     1 S   H    _H1_     3     1.02828    60.31746   156.75441
    4     1 S   H    _H2_     4     1.02783    89.95095   -92.46722
    5     1 S   CT   _CA1     5     1.50152   157.76287    85.42523
    6     5 S   HC   _HA1     6     1.09561   105.14246   120.91111
    7     5 S   CO3  _C1_     7     1.53848   112.66220     0.73940
    8     7 S   O2Z  _O11     8     1.26378   114.93936   -34.41557
    9     7 S   O2Z  _O12     9     1.26238   115.09237   144.74216
   10     5 S   CT   _CB1    10     1.53105   107.42238  -120.84803
   11    10 S   HC   HB11    11     1.09829   109.58316   -46.48489
   12    10 S   HC   HB12    12     1.09813   110.35193    70.25422
   13    10 S   CT   _CG1    13     1.52936   112.53887  -167.33700
   14    13 S   HC   HG11    14     1.09543   110.66638   -65.55741
   15    13 S   HC   HG12    15     1.09666   109.72352    53.63329
   16    13 S   C    _CD1    16     1.51781   112.31054   174.38162
   17    16 S   O    _OE1    17     1.22707   123.30402    11.34682
   18    16 S   N    _N2_    18     1.38571   111.54952  -169.43258
   19    18 S   H    _HN2    19     1.01574   118.91677     3.04317
   20    18 S   CT1  _CA2    20     1.46245   123.68891  -179.92087
   21    20 S   HC   _HA2    21     1.09726   109.47211    -0.52638
   22    20 S   C    _C2_    22     1.53469   108.58163  -116.14705
   23    22 S   O    _O2_    23     1.23041   122.32065  -149.00352
   24    20 S   CT   _CB2    32     1.53360   110.95304   121.59961
   25    24 S   HC   HB21    33     1.09410   109.24963    55.47277
   26    24 S   HC   HB22    34     1.09494   110.61147   173.97374
   27    22 S   N    _N3_    24     1.38342   113.61379    38.49296
   28    27 S   H    _HN3    25     1.01602   119.51286    -3.37510
   29    24 S   S    _SG2    35     1.83142   110.79619   -67.14135
   30    27 S   CT   _CA3    26     1.45282   123.25296   177.13556
   31    30 S   HC   HA31    27     1.09548   107.50059   -64.89841
   32    30 S   HC   HA32    28     1.09555   108.00118    51.54920
   33    29 S   CT   _C22    36     1.89597   101.93341   146.66758
   34    30 S   CO3  _C3_    29     1.52964   114.05475   173.54694
   35    34 S   O2Z  _O31    30     1.26381   116.06088    -0.86570
   36    34 S   O2Z  _O32    31     1.26425   114.42084   179.19985
   37    33 S   CM   _C16    37     1.52496   106.26388  -174.57371
   38    33 S   CO4  _C18    75     1.53307   103.80001    64.02127
   39    38 S   O    _O24    76     1.23089   123.05606   -81.20190
   40    37 S   CA   _C11    38     1.51696   112.44239    72.91468
   41    37 S   CMA  _C17    64     1.36955   124.32403  -114.50478
   42    41 S   OM   _O23    65     1.27036   127.23083  -162.01507
   43    40 S   CA   _C12    39     1.41216   118.97463    28.68142
   44    41 S   CA   _C9_    66     1.51913   114.71260    18.58822
   45    43 S   CA   _C7_    40     1.41182   120.36294   177.98268
   46    45 S   HA   _H33    41     1.08923   119.45427   179.77358
   47    43 S   CO   _C20    52     1.51434   121.58367    -9.04618
   48    47 S   HC   _H35    53     1.09618   107.11343  -110.17897
   49    44 S   CA   _C5_    67     1.41752   119.42914   160.37506
   50    49 S   HA   _H31    68     1.08902   120.79536    -0.90027
   51    45 S   CA   _C13    42     1.39473   121.38672     1.67958
   52    33 S   NT   _N22    54     1.47432   112.49161   -52.03085
   53    49 S   CA   _C4_    69     1.39687   122.32059   179.52522
   54    53 S   HA   _H30    70     1.08603   119.95796   179.97202
   55    51 S   CA   _C8_    43     1.39268   118.51653     3.65372
   56    55 S   HA   _H34    44     1.08748   119.40874   175.17781
   57    51 S   CT   _C23    48     1.49807   121.16941   179.62102
   58    57 S   HC   _H37    49     1.09499   110.27475   132.59193
   59    57 S   HC   _H38    50     1.09408   110.06770  -107.07085
   60    57 S   HC   _H39    51     1.09493   111.50318    13.28215
   61    52 S   CT1  _C21    55     1.46240   121.93445   163.36722
   62    61 S   HC   _H36    56     1.09561   108.60478   -90.32026
   63    53 S   CA   _C6_    71     1.38538   119.79559     0.05595
   64    63 S   HA   _H32    72     1.08617   119.96193  -180.00000
   65    40 S   CA   _C15    45     1.41071   123.95164  -145.41339
   66    61 S   CO4  _C19    57     1.51290   102.92531   156.27258
   67    66 S   O    _O25    58     1.22193   125.74979   166.02828
   68    61 S   CT   _C24    60     1.52514   119.86797    37.09876
   69    68 S   HC   _H40    61     1.09486   112.00848    55.93922
   70    68 S   HC   _H41    62     1.09163   112.10175   -67.25568
   71    68 S   HC   _H42    63     1.09669   110.24522   174.13392
   72    63 S   CA   _C14    73     1.39123   119.37987     0.21580
   73    65 S   OH   _O28    46     1.37277   120.40248     7.09448
   74    73 S   HO   _H44    47     0.97094   109.32924  -175.15540
   75    47 S   OS   _O26    59     1.42687   110.25371   134.44660
   76    44 S   CA   _C10    74     1.40083   123.83198   -19.48030
   77    72 S   OH   _O27    77     1.37035   115.51328   179.47362
   78    77 S   HO   _H43    78     0.97359   108.81315   176.73709
  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  10   5   4   3
  19   2   1   1  16  12   4  16  10   3  13   8  13   4  10   4
   7   4   8  10   6   3   8   3   4   2   1   1   8   7   5   3
   2   6   2   4   2   1   1   3   1   1   1   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    61    41    76    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    65    47    48    52    61    62    66    75    68    41    42    44    72    76    38    39  
   35    36  
   36  
    0  
   40    43    45    55    65    73    47    52    61    41    42    44    49    76    38    39  
   39    77    40    41    44    47    49    52    61    63    72    76  
   44    52    72    76  
   43    45    46    51    55    56    65    73    74    47    48    52    75    41    42    44  
   42    44    49    50    53    72    76    43    52    65  
   44    49    76  
   45    46    51    55    65    73    57    47    48    52    61    66    75  
   49    50    53    54    63    72    76    77  
   46    51    55    56    65    57    58    59    60    47    48    52    75  
   51    55    57    47  
   48    52    61    62    66    67    75    68    51    65  
   52    61    66    75  
   50    53    54    63    64    72    76  
   53    54    63    76  
   55    56    65    73    57    58    59    60  
   61    62    66    67    75    68    69    70    71    76  
   54    63    64    72    76    77  
   63    64    72  
   56    65    73    74    57    58    59    60  
   65    73    57  
   58    59    60    65  
   59    60  
   60  
    0  
   62    66    67    75    68    69    70    71  
   66    67    75    68    69    70    71  
   64    72    76    77    78  
   72    76    77  
   73    74  
   67    75    68    69    70    71  
   75    68  
   69    70    71    75  
   70    71  
   71  
    0  
   76    77    78  
   74  
    0  
    0  
   77    78  
   78  
    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   0.377500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    52   382.000  1.448
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   270.000  1.504
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    55   469.000  1.400
   51    57   317.000  1.510
   55    56   367.000  1.080
   55    65   469.000  1.400
   65    73   450.000  1.364
   73    74   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    48   340.000  1.090
   47    52   340.000  1.430
   47    75   320.000  1.380
   52    61   305.000  1.457
   61    62   340.000  1.090
   61    66   255.000  1.522
   61    68   268.000  1.529
   66    67   570.000  1.229
   66    75   214.000  1.327
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    49   469.000  1.400
   44    76   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    64   367.000  1.080
   63    72   469.000  1.400
   72    76   469.000  1.400
   72    77   450.000  1.364
   76    38   310.000  1.470
   38    39   570.000  1.229
   77    78   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    85.00000  109.00000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    52    47    80.00000  111.82000
   33    52    61    51.80000  107.20000
   33    38    76    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    43    60.00000  120.93500
   37    40    65    60.00000  120.93500
   37    41    42    65.00000  137.10300
   37    41    44    60.00000  123.20500
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  120.68000
   40    65    55    63.00000  120.00000
   40    65    73    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    51    63.00000  120.00000
   43    47    48    45.00000  112.15300
   43    47    52    75.00000  112.33000
   43    47    75    90.00000  107.97000
   45    51    55    63.00000  120.00000
   45    51    57    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    65    63.00000  120.00000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    65    73    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    55    56    35.00000  120.00000
   65    73    74    35.00000  113.00000
   57    51    55    70.00000  120.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    43    45    60.00000  120.68000
   47    52    61    80.00000  111.82000
   47    75    66    95.00000  111.08000
   52    33    37    75.00000  110.70900
   52    47    48    50.00000  110.45300
   52    61    62    50.00000  109.55000
   52    61    66    75.00000  112.91400
   52    61    68    80.00000  111.22000
   61    66    67    75.00000  123.42600
   61    66    75    90.00000  109.72300
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   66    61    62    45.00000  110.09800
   75    47    48    35.00000  109.50000
   75    47    52   100.00000  112.06800
   75    66    67    83.00000  123.40000
   68    61    62    37.50000  110.70000
   68    61    66    70.00000  110.61500
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   41    37    40    60.00000  123.20500
   41    44    49    60.00000  120.93500
   41    44    76    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    49    50    35.00000  120.00000
   44    49    53    63.00000  120.00000
   44    76    72    63.00000  120.00000
   44    76    38    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    63    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    63    64    35.00000  120.00000
   53    63    72    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    72    76    63.00000  120.00000
   63    72    77    70.00000  120.00000
   72    63    64    35.00000  120.00000
   72    76    38    60.00000  119.52600
   72    77    78    35.00000  113.00000
   76    44    49    63.00000  120.00000
   76    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    52    75.00000  112.82000
   77    72    76    70.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    47   0.23200  1.0 1.0
   29    33    52    47   0.02100 -1.0 2.0
   29    33    52    47   0.24950  1.0 3.0
   29    33    52    61   0.23200  1.0 1.0
   29    33    52    61   0.02100 -1.0 2.0
   29    33    52    61   0.24950  1.0 3.0
   29    33    38    76   0.65300  1.0 1.0
   29    33    38    76  -0.03850 -1.0 2.0
   29    33    38    76   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    65  -0.02500  1.0 1.0
   33    37    40    65  -0.32150 -1.0 2.0
   33    37    40    65  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    52    61    62   0.28000  1.0 3.0
   33    52    61    66  -1.76800  1.0 1.0
   33    52    61    66   1.02600 -1.0 2.0
   33    52    61    66   0.19700  1.0 3.0
   33    52    61    68   0.23450  1.0 1.0
   33    52    61    68   0.02050 -1.0 2.0
   33    52    61    68   0.25250  1.0 3.0
   37    33    52    47  -0.60800  1.0 1.0
   37    33    52    47   1.10050 -1.0 2.0
   37    33    52    47   0.47000  1.0 3.0
   37    33    52    61  -0.60800  1.0 1.0
   37    33    52    61   1.10050 -1.0 2.0
   37    33    52    61   0.47000  1.0 3.0
   37    33    38    76   0.65300  1.0 1.0
   37    33    38    76  -0.03850 -1.0 2.0
   37    33    38    76   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    55   3.62500 -1.0 2.0
   37    40    65    73   3.62500 -1.0 2.0
   37    41    44    49   0.15800  1.0 1.0
   37    41    44    49   1.85350 -1.0 2.0
   37    41    44    49  -0.48700  1.0 3.0
   37    41   -44    76   0.15800  1.0 1.0
   37    41   -44    76   1.85350 -1.0 2.0
   37    41   -44    76  -0.48700  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    51   3.62500 -1.0 2.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    52   0.18550 -1.0 2.0
   40    43    47    52   0.14000  1.0 3.0
   40    43    47    75   0.64500  1.0 1.0
   40    43    47    75   0.14800 -1.0 2.0
   40    43    47    75   0.20650  1.0 3.0
   40    65    73    74   0.84100 -1.0 2.0
   43    40    65    55   3.62500 -1.0 2.0
   43    40    65    73   3.62500 -1.0 2.0
   43    45   -51    55   3.62500 -1.0 2.0
   43    45    51    57   3.62500 -1.0 2.0
   43    47   -52    33   0.82600  1.0 1.0
   43    47   -52    33  -0.32100 -1.0 2.0
   43    47   -52    33   1.02000  1.0 3.0
   43    47    52    61   0.82600  1.0 1.0
   43    47    52    61  -0.32100 -1.0 2.0
   43    47    52    61   1.02000  1.0 3.0
   43    47    75    66  -0.43900 -1.0 2.0
   43    47    75    66   0.14100  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    52   0.18550 -1.0 2.0
   45    43    47    52   0.14000  1.0 3.0
   45    43    47    75   0.64500  1.0 1.0
   45    43    47    75   0.14800 -1.0 2.0
   45    43    47    75   0.20650  1.0 3.0
   45    51    55    56   3.62500 -1.0 2.0
   45    51    55    65   3.62500 -1.0 2.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    59   0.00000  1.0 1.0
   45    51    57    60   0.00000  1.0 1.0
   46    45    51    55   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    55   -65    40   3.62500 -1.0 2.0
   51    55    65    73   3.62500 -1.0 2.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    59   0.00000  1.0 1.0
   55    51    57    60   0.00000  1.0 1.0
   55    65    73    74   0.84100 -1.0 2.0
   56    55    65    40   3.62500 -1.0 2.0
   56    55    65    73   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   57    51    55    65   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    51   3.62500 -1.0 2.0
   47    52    61    62   0.10550  1.0 3.0
   47    52   -61    66  -1.76800  1.0 1.0
   47    52   -61    66   1.02600 -1.0 2.0
   47    52   -61    66   0.19700  1.0 3.0
   47    52    61    68   0.23450  1.0 1.0
   47    52    61    68   0.02050 -1.0 2.0
   47    52    61    68   0.25250  1.0 3.0
   48    47    52    33   0.28000  1.0 3.0
   48    47    52    61   0.28000  1.0 3.0
   48    47    75    66   0.08050  1.0 3.0
   52    33   -37    40   0.09700  1.0 1.0
   52    33   -37    40   0.15600 -1.0 2.0
   52    33   -37    40  -0.50800  1.0 3.0
   52    33    37    41   0.90200  1.0 1.0
   52    33    37    41   0.57900 -1.0 2.0
   52    33    37    41  -0.62100  1.0 3.0
   52    33    38    76   0.65300  1.0 1.0
   52    33    38    76  -0.03850 -1.0 2.0
   52    33    38    76   0.33900  1.0 3.0
   52    33    38    39   0.30150 -1.0 2.0
   52    47   -75    66  -0.24150  1.0 1.0
   52    47   -75    66  -0.46200 -1.0 2.0
   52    47   -75    66   0.11700  1.0 3.0
   52    61    66    67   0.30150 -1.0 2.0
   52    61   -66    75   0.40000  1.0 3.0
   52    61    68    69   0.15000  1.0 3.0
   52    61    68    70   0.15000  1.0 3.0
   52    61    68    71   0.15000  1.0 3.0
   61    66   -75    47   1.63150  1.0 1.0
   61    66   -75    47   2.92000 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    75   0.00000  1.0 1.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   66    61    68    69  -0.03800  1.0 3.0
   66    61    68    70  -0.03800  1.0 3.0
   66    61    68    71  -0.03800  1.0 3.0
   67    66    75    47   3.00000 -1.0 2.0
   75    47    52    33   1.00600  1.0 1.0
   75    47    52    33  -1.41450 -1.0 2.0
   75    47    52    33   0.25150  1.0 3.0
   75    47   -52    61   1.00600  1.0 1.0
   75    47   -52    61  -1.41450 -1.0 2.0
   75    47   -52    61   0.25150  1.0 3.0
   68    61    66    67   0.00000  1.0 1.0
   68    61    66    75   0.36750  1.0 3.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    65   0.15800  1.0 1.0
   41    37    40    65   1.85350 -1.0 2.0
   41    37    40    65  -0.48700  1.0 3.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    53   3.62500 -1.0 2.0
   41    44    76    72   3.62500 -1.0 2.0
   41    44    76    38   3.62500 -1.0 2.0
   42    41    44    49  -0.01750  1.0 1.0
   42    41    44    49  -0.32000 -1.0 2.0
   42    41    44    49   0.00600  1.0 3.0
   42    41    44    76  -0.01750  1.0 1.0
   42    41    44    76  -0.32000 -1.0 2.0
   42    41    44    76   0.00600  1.0 3.0
   44    49    53    54   3.62500 -1.0 2.0
   44    49    53    63   3.62500 -1.0 2.0
   44    76   -38    33   2.26350  1.0 1.0
   44    76   -38    33   0.76750 -1.0 2.0
   44    76   -38    33   0.22500  1.0 3.0
   44    76    38    39   1.05000 -1.0 2.0
   49    44    76    72   3.62500 -1.0 2.0
   49    44    76    38   3.62500 -1.0 2.0
   49    53    63    64   3.62500 -1.0 2.0
   49    53   -63    72   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    63   3.62500 -1.0 2.0
   53    63    72    76   3.62500 -1.0 2.0
   53    63    72    77   3.62500 -1.0 2.0
   54    53    63    64   3.62500 -1.0 2.0
   54    53    63    72   3.62500 -1.0 2.0
   63    72   -76    44   3.62500 -1.0 2.0
   63    72    76    38   3.62500 -1.0 2.0
   63    72    77    78   0.84100 -1.0 2.0
   64    63    72    76   3.62500 -1.0 2.0
   64    63    72    77   3.62500 -1.0 2.0
   72    76    38    33   2.26350  1.0 1.0
   72    76    38    33   0.76750 -1.0 2.0
   72    76    38    33   0.22500  1.0 3.0
   72    76    38    39   1.05000 -1.0 2.0
   76    44    49    50   3.62500 -1.0 2.0
   76    44   -49    53   3.62500 -1.0 2.0
   76    72    77    78   0.84100 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    52    47  -1.76800  1.0 1.0
   38    33    52    47   1.02600 -1.0 2.0
   38    33    52    47   0.19700  1.0 3.0
   38    33    52    61  -1.76800  1.0 1.0
   38    33    52    61   1.02600 -1.0 2.0
   38    33    52    61   0.19700  1.0 3.0
   77    72    76    44   3.62500 -1.0 2.0
   77    72    76    38   3.62500 -1.0 2.0
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
   33    40    37    41   1.10000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   51    46    45    43   1.10000 -1.0 2.0
   55    57    51    45   4.00000 -1.0 2.0
   65    56    55    51   1.10000 -1.0 2.0
   55    73    65    40   4.00000 -1.0 2.0
   61    75    66    67  10.50000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   49    76    44    41   4.00000 -1.0 2.0
   53    50    49    44   1.10000 -1.0 2.0
   63    54    53    49   1.10000 -1.0 2.0
   72    64    63    53   1.10000 -1.0 2.0
   76    77    72    63   4.00000 -1.0 2.0
   72    38    76    44   4.00000 -1.0 2.0
   33    76    38    39  10.50000 -1.0 2.0
END
