* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    155    244     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    35.26023   137.76837
    3     1 S   H    _H1_     3     1.02109    81.51660   -81.80433
    4     1 S   H    _H2_     4     1.02066    97.67372    26.03938
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.83694    97.65810  -178.14628
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C10    37     1.52088   106.81802  -160.02294
   38    37 S   O    _O21    38     1.22855   122.39020    96.17053
   39    33 S   OH   _O26    83     1.42090   109.34704   -43.45763
   40    39 S   HO   _H50    84     0.97138   106.74212   -55.85933
   41    37 S   CA   _C4_    39     1.48430   117.63250   -82.37206
   42    41 S   CA   _C5_    40     1.40812   120.62583   -13.03053
   43    42 S   CA   _C9_    41     1.40086   120.29810   178.02484
   44    42 S   CO4  _C11    69     1.48272   120.85752    -3.13082
   45    44 S   O    _O22    70     1.22851   120.42473   173.78177
   46    43 S   CA   _C8_    42     1.38181   117.88749     0.85980
   47    43 S   OH   _O24    67     1.35876   123.41017   179.89347
   48    47 S   HO   _H48    68     0.97108   110.47064    -0.02798
   49    33 S   CT   _C14    71     1.53385   111.38756    77.76280
   50    49 S   HC   _H31    72     1.10049   108.64697   -49.45947
   51    46 S   CA   _C6_    43     1.38787   122.27775    -0.82591
   52    49 S   CT   _C23    73     1.53334   113.36092  -167.68599
   53    52 S   HC   _H47    74     1.09396   108.01835    34.78784
   54    41 S   CA   _C7_    44     1.40212   118.75052   165.46607
   55    51 S   CT   _C16    49     1.49648   109.20365  -177.11771
   56    52 S   CT   _C20    75     1.52434   110.37319   153.42301
   57    56 S   HC   _H39    76     1.09511   111.48233    61.80356
   58    56 S   HC   _H40    77     1.09510   110.91260   -58.55656
   59    56 S   HC   _H41    78     1.09514   110.54831  -178.07380
   60    52 S   CT   _C21    79     1.52528   110.30940   -83.75025
   61    60 S   HC   _H42    80     1.09535   111.41086   -61.83008
   62    60 S   HC   _H43    81     1.09516   110.56007   178.08021
   63    60 S   HC   _H44    82     1.09486   110.93071    58.52553
   64    54 S   CT   _C18    45     1.49375   122.69720    -1.61955
   65    64 S   HC   _H33    46     1.09557   110.27221    89.98576
   66    64 S   HC   _H34    47     1.09725   111.14979  -149.53141
   67    64 S   HC   _H35    48     1.09695   111.16636   -30.52548
   68    55 S   CO   _C15    50     1.55416    98.10317   -16.69007
   69    68 S   HC   _H32    51     1.09742   111.05953   144.87969
   70    55 S   CT   _C19    55     1.53663   109.39936    98.61897
   71    70 S   HC   _H36    56     1.08403   109.29347  -180.00000
   72    70 S   HC   _H37    57     1.08511   109.21512    59.96190
   73    70 S   HC   _H38    58     1.08560   109.24946   -59.96367
   74    55 S   CT   _C22    59     1.52991   113.87741  -137.58333
   75    74 S   HC   _H45    60     1.09188   108.66582    39.97553
   76    74 S   HC   _H46    61     1.09267   108.82029   -76.74674
   77    46 S   OS   _O23    52     1.37254   124.19334  -179.88465
   78    68 S   OH   _O25    53     1.42687   111.49611   -95.11614
   79    78 S   HO   _H49    54     0.96918   106.44906   179.98022
   80    74 S   CM   _C13    62     1.49506   111.03868   163.06947
   81    80 S   HC   _H30    63     1.08675   117.61087    59.61196
   82    80 S   CM   _C12    64     1.33778   123.76255  -121.35666
   83    82 S   HC   _H28    65     1.08416   121.54042   179.98022
   84    82 S   HC   _H29    66     1.08434   120.42665    -0.10653
  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
  15   2   1   1  13   5   6   1  14  13  11  10   3  12   3   1
  11   4  18   9   8   9  16   7   3   2   1   3   2   1   1   3
   2   1   1  12   5   9   3   2   1   9   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    49    50    52    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    54    44    45    49    50    52    53    56    60    39    40  
   35    36  
   36  
    0  
   38    41    42    43    51    54    64    44    49    50    52    39    40  
   41    42    54    49    39  
   40    41    44    49    50    52  
   49  
   42    43    46    51    54    64    65    66    67    55    47    44    45    49  
   43    46    51    54    64    77    47    48    44    45    49    50    52  
   46    51    54    55    68    77    47    48    44    45    49  
   45    49    50    52    53    56    60    46    47    54  
   49    50    52  
   51    54    64    55    68    69    77    78    70    74    47    48  
   48    51    77  
    0  
   50    52    53    56    57    58    59    60    61    62    63  
   52    53    56    60  
   54    64    65    66    67    55    68    69    77    78    70    71    72    73    74    75    76    80  
   53    56    57    58    59    60    61    62    63  
   56    57    58    59    60    61    62    63  
   64    65    66    67    55    68    77    70    74  
   68    69    77    78    79    70    71    72    73    74    75    76    80    81    82    64  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60  
   60  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    77    78    79    70    71    72    73    74    75    76    80  
   77    78    79    70    74  
   71    72    73    74    75    76    80    77    78  
   72    73    74  
   73    74  
   74  
   75    76    80    81    82    83    84    77    78  
   76    80    81    82  
   80    81    82  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.432500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    49   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    42   469.000  1.400
   41    54   469.000  1.400
   42    43   469.000  1.400
   42    44   310.000  1.470
   43    46   469.000  1.400
   43    47   450.000  1.364
   46    51   469.000  1.400
   46    77   450.000  1.364
   51    54   469.000  1.400
   51    55   317.000  1.510
   54    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    68   250.000  1.527
   55    70   268.000  1.529
   55    74   268.000  1.529
   68    69   340.000  1.090
   68    77   320.000  1.380
   68    78   380.000  1.407
   78    79   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   317.000  1.510
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   340.000  1.080
   47    48   553.000  0.945
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   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  110.18000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    49    44    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    52    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    60.00000  119.52600
   37    41    54    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    42    43    63.00000  120.00000
   41    42    44    60.00000  119.52600
   41    54    51    63.00000  120.00000
   41    54    64    70.00000  120.00000
   42    43    46    63.00000  120.00000
   42    43    47    70.00000  120.00000
   42    44    45    75.00000  123.78400
   42    44    49    65.00000  115.47100
   43    46    51    63.00000  120.00000
   43    46    77    70.00000  120.00000
   43    47    48    35.00000  113.00000
   46    51    54    63.00000  120.00000
   46    51    55    70.00000  120.00000
   46    77    68   100.00000  112.36700
   51    54    64    70.00000  120.00000
   51    55    68    70.00000  112.17500
   51    55    70    70.00000  112.17500
   51    55    74    70.00000  112.17500
   54    41    42    63.00000  120.00000
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    51    54    70.00000  120.00000
   55    68    69    45.00000  112.01100
   55    68    77    90.00000  108.56700
   55    68    78    90.00000  110.19100
   55    70    71    37.50000  110.70000
   55    70    72    37.50000  110.70000
   55    70    73    37.50000  110.70000
   55    74    75    37.50000  110.70000
   55    74    76    37.50000  110.70000
   55    74    80    70.00000  112.02700
   68    78    79    70.00000  107.92000
   77    46    51    70.00000  120.00000
   77    68    69    35.00000  109.50000
   78    68    69    60.00000  108.02500
   78    68    77   110.00000  112.08000
   70    55    68    75.00000  109.43000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    55    68    75.00000  109.43000
   74    55    70    58.35000  112.70000
   74    80    81    35.00000  117.00000
   74    80    82    70.00000  124.00000
   76    74    75    33.00000  107.80000
   80    74    75    35.00000  109.50000
   80    74    76    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    35.00000  120.00000
   82    80    81    35.00000  120.00000
   84    82    83    35.00000  117.00000
   47    43    46    70.00000  120.00000
   44    42    43    60.00000  119.52600
   44    49    50    35.00000  109.50000
   44    49    52    63.00000  111.10000
   49    33    37    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    52    53    37.50000  110.70000
   49    52    56    58.35000  112.70000
   49    52    60    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   56    52    53    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    90.00000  109.61100
   39    33    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   2.26350  1.0 1.0
   33    37    41    42   0.76750 -1.0 2.0
   33    37    41    42   0.22500  1.0 3.0
   33    37    41    54   2.26350  1.0 1.0
   33    37    41    54   0.76750 -1.0 2.0
   33    37    41    54   0.22500  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49    52    56   0.56750  1.0 1.0
   33    49    52    56  -0.07550 -1.0 2.0
   33    49    52    56   0.20000  1.0 3.0
   33    49    52    60   0.56750  1.0 1.0
   33    49    52    60  -0.07550 -1.0 2.0
   33    49    52    60   0.20000  1.0 3.0
   37    33    49    44   0.11950  1.0 1.0
   37    33    49    44   0.20300 -1.0 2.0
   37    33    49    44  -0.70800  1.0 3.0
   37    33    49    50  -0.11250  1.0 3.0
   37    33    49    52  -0.95700  1.0 1.0
   37    33    49    52  -0.18200 -1.0 2.0
   37    33    49    52   0.29450  1.0 3.0
   37    33    39    40   0.91850  1.0 1.0
   37    33    39    40   0.57950  1.0 3.0
   37    41    42    43   3.62500 -1.0 2.0
   37    41   -42    44   3.62500 -1.0 2.0
   37    41    54    51   3.62500 -1.0 2.0
   37    41    54    64   3.62500 -1.0 2.0
   38    37    41    42   1.05000 -1.0 2.0
   38    37    41    54   1.05000 -1.0 2.0
   41    42    43    46   3.62500 -1.0 2.0
   41    42    43    47   3.62500 -1.0 2.0
   41    42    44    45   1.05000 -1.0 2.0
   41    42    44    49   2.26350  1.0 1.0
   41    42    44    49   0.76750 -1.0 2.0
   41    42    44    49   0.22500  1.0 3.0
   41    54    64    65   0.00000  1.0 1.0
   41    54    64    66   0.00000  1.0 1.0
   41    54    64    67   0.00000  1.0 1.0
   42    41    54    51   3.62500 -1.0 2.0
   42    41    54    64   3.62500 -1.0 2.0
   42    43   -46    51   3.62500 -1.0 2.0
   42    43    46    77   3.62500 -1.0 2.0
   42    43    47    48   0.84100 -1.0 2.0
   42    44   -49    33   0.05850 -1.0 2.0
   42    44   -49    33   0.17250  1.0 3.0
   42    44    49    50   0.00000  1.0 1.0
   42    44    49    52   0.05850 -1.0 2.0
   42    44    49    52   0.17250  1.0 3.0
   43    42    44    45   1.05000 -1.0 2.0
   43    42    44    49   2.26350  1.0 1.0
   43    42    44    49   0.76750 -1.0 2.0
   43    42    44    49   0.22500  1.0 3.0
   43    46    51    54   3.62500 -1.0 2.0
   43    46    51    55   3.62500 -1.0 2.0
   43    46    77    68   1.63200 -1.0 2.0
   46    43    47    48   0.84100 -1.0 2.0
   46    51   -54    41   3.62500 -1.0 2.0
   46    51    54    64   3.62500 -1.0 2.0
   46    51   -55    68   0.04150 -1.0 2.0
   46    51    55    70   0.04150 -1.0 2.0
   46    51    55    74   0.04150 -1.0 2.0
   51    46   -77    68   1.63200 -1.0 2.0
   51    54    64    65   0.00000  1.0 1.0
   51    54    64    66   0.00000  1.0 1.0
   51    54    64    67   0.00000  1.0 1.0
   51    55    68    69   0.43200  1.0 3.0
   51    55   -68    77  -0.64350  1.0 1.0
   51    55   -68    77  -0.04200 -1.0 2.0
   51    55   -68    77   0.19800  1.0 3.0
   51    55    68    78   1.13150  1.0 1.0
   51    55    68    78  -1.01400 -1.0 2.0
   51    55    70    71   0.43200  1.0 3.0
   51    55    70    72   0.43200  1.0 3.0
   51    55    70    73   0.43200  1.0 3.0
   51    55    74    75   0.43200  1.0 3.0
   51    55    74    76   0.43200  1.0 3.0
   51    55    74    80   0.21200  1.0 1.0
   51    55    74    80   0.16900 -1.0 2.0
   51    55    74    80  -1.15100  1.0 3.0
   54    41   -42    43   3.62500 -1.0 2.0
   54    41    42    44   3.62500 -1.0 2.0
   54    51    55    68   0.04150 -1.0 2.0
   54    51    55    70   0.04150 -1.0 2.0
   54    51    55    74   0.04150 -1.0 2.0
   55    51    54    41   3.62500 -1.0 2.0
   55    51    54    64   3.62500 -1.0 2.0
   55    68   -77    46  -0.32850  1.0 1.0
   55    68   -77    46  -0.35800 -1.0 2.0
   55    68   -77    46   0.33950  1.0 3.0
   55    68    78    79  -0.11600  1.0 1.0
   55    68    78    79  -0.09450 -1.0 2.0
   55    68    78    79   0.21250  1.0 3.0
   55    74    80    81   0.00000  1.0 1.0
   55    74    80    82   0.09850  1.0 1.0
   55    74    80    82   0.15250 -1.0 2.0
   55    74    80    82  -0.50650  1.0 3.0
   68    55    70    71   0.15000  1.0 3.0
   68    55    70    72   0.15000  1.0 3.0
   68    55    70    73   0.15000  1.0 3.0
   68    55    74    75   0.15000  1.0 3.0
   68    55    74    76   0.15000  1.0 3.0
   68    55    74    80   0.34400  1.0 1.0
   68    55    74    80   0.09450 -1.0 2.0
   68    55    74    80   0.11100  1.0 3.0
   69    68    77    46   0.08050  1.0 3.0
   69    68    78    79   0.19450  1.0 3.0
   77    46    51    54   3.62500 -1.0 2.0
   77    46   -51    55   3.62500 -1.0 2.0
   77    68    78    79  -0.50000  1.0 1.0
   77    68    78    79  -0.73950 -1.0 2.0
   77    68    78    79   0.17150  1.0 3.0
   78    68    77    46  -0.25600  1.0 1.0
   78    68    77    46  -0.40050 -1.0 2.0
   78    68    77    46   0.34700  1.0 3.0
   70    55    68    69   0.15000  1.0 3.0
   70    55    68    77   0.62750  1.0 1.0
   70    55    68    77  -0.30950 -1.0 2.0
   70    55    68    77   0.27300  1.0 3.0
   70    55    68    78   0.86500  1.0 1.0
   70    55    68    78  -0.17500 -1.0 2.0
   70    55    68    78   0.20800  1.0 3.0
   70    55    74    75   0.15000  1.0 3.0
   70    55    74    76   0.15000  1.0 3.0
   70    55    74    80   0.34400  1.0 1.0
   70    55    74    80   0.09450 -1.0 2.0
   70    55    74    80   0.11100  1.0 3.0
   74    55    68    69   0.15000  1.0 3.0
   74    55    68    77   0.62750  1.0 1.0
   74    55    68    77  -0.30950 -1.0 2.0
   74    55    68    77   0.27300  1.0 3.0
   74    55    68    78   0.86500  1.0 1.0
   74    55    68    78  -0.17500 -1.0 2.0
   74    55    68    78   0.20800  1.0 3.0
   74    55    70    71   0.15000  1.0 3.0
   74    55    70    72   0.15000  1.0 3.0
   74    55    70    73   0.15000  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80    82    84   7.00000 -1.0 2.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   76    74    80    81   0.33100  1.0 3.0
   76    74    80    82   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   47    43    46    51   3.62500 -1.0 2.0
   47    43    46    77   3.62500 -1.0 2.0
   44    42    43    46   3.62500 -1.0 2.0
   44    42    43    47   3.62500 -1.0 2.0
   44    49    52    53  -0.11250  1.0 3.0
   44    49    52    56  -0.95700  1.0 1.0
   44    49    52    56  -0.18200 -1.0 2.0
   44    49    52    56   0.29450  1.0 3.0
   44    49    52    60  -0.95700  1.0 1.0
   44    49    52    60  -0.18200 -1.0 2.0
   44    49    52    60   0.29450  1.0 3.0
   45    44    49    33   0.30150 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    52   0.30150 -1.0 2.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    41   0.05850 -1.0 2.0
   49    33   -37    41   0.17250  1.0 3.0
   49    33    39    40  -0.11600  1.0 1.0
   49    33    39    40  -0.09450 -1.0 2.0
   49    33    39    40   0.21250  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52    56    59   0.15000  1.0 3.0
   49    52    60    61   0.15000  1.0 3.0
   49    52    60    62   0.15000  1.0 3.0
   49    52    60    63   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   50    49    52    60   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   56    52    60    61   0.15000  1.0 3.0
   56    52    60    62   0.15000  1.0 3.0
   56    52    60    63   0.15000  1.0 3.0
   60    52    56    57   0.15000  1.0 3.0
   60    52    56    58   0.15000  1.0 3.0
   60    52    56    59   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    49    44  -0.09450  1.0 1.0
   39    33    49    44  -1.12950 -1.0 2.0
   39    33    49    44   0.54000  1.0 3.0
   39    33    49    50   0.23400  1.0 3.0
   39    33    49    52   0.86500  1.0 1.0
   39    33    49    52  -0.17500 -1.0 2.0
   39    33    49    52   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   42    54    41    37   4.00000 -1.0 2.0
   43    44    42    41   4.00000 -1.0 2.0
   46    47    43    42   4.00000 -1.0 2.0
   51    77    46    43   4.00000 -1.0 2.0
   54    55    51    46   4.00000 -1.0 2.0
   51    64    54    41   4.00000 -1.0 2.0
   74    81    80    82  15.00000 -1.0 2.0
   83    84    82    80  15.00000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
END
