* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    190    340     581
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107   104.30803   -35.17755
    3     1 S   H    _H1_     3     1.02109    68.96599    69.65914
    4     1 S   H    _H2_     4     1.02134    44.12335  -137.43572
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.86506    96.78595   161.84669
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CM   _C12    37     1.54150   110.47507   160.01784
   38    33 S   CT   _C22    86     1.56752   109.66771   -76.87917
   39    38 S   HC   _H7_    87     1.09798   108.95738    49.45218
   40    33 S   OH   _O36    96     1.42679   105.82492    41.80396
   41    40 S   HO   _H16    97     0.96964   106.48094   -60.99937
   42    37 S   CM   _C11    38     1.35548   122.91536   -58.10195
   43    42 S   CA   _C8_    39     1.47183   121.49821   179.11133
   44    42 S   OH   _O42    94     1.38127   123.01179     0.69830
   45    44 S   HO   _H24    95     0.96235   109.77826    -1.52239
   46    43 S   CA   _C7_    40     1.39947   119.95487   -14.18267
   47    46 S   CA   _C6_    41     1.40024   121.38997  -176.72051
   48    47 S   HA   _H12    42     1.08745   120.76226  -179.86152
   49    46 S   CO4  _C14    53     1.47730   118.77691     3.98163
   50    49 S   O    _O34    54     1.22713   119.02748  -158.54129
   51    47 S   CA   _C5_    43     1.39197   119.67450    -0.63427
   52    37 S   CT   _C13    55     1.54594   116.70184   127.06728
   53    51 S   CA   _C10    44     1.39155   119.84665     0.08393
   54    53 S   HA   _H13    45     1.08833   119.97068  -179.68973
   55    51 S   CT   _C4_    49     1.49098   120.06096  -179.64502
   56    55 S   HC   _H9_    50     1.09725   110.37428    89.98129
   57    55 S   HC   _H10    51     1.09817   111.29983  -149.57461
   58    55 S   HC   _H11    52     1.09781   111.31348   -30.52151
   59    52 S   CT   _C18    56     1.60811   112.28907    89.13752
   60    59 S   HC   _H6_    57     1.09957   111.88384   102.18629
   61    52 S   CT   _C15    82     1.58756   115.11101   -28.75293
   62    61 S   HC   _H3_    83     1.09509   113.10562  -133.13700
   63    43 S   CA   _C9_    46     1.40337   121.99220   168.50338
   64    59 S   CO4  _C19    58     1.54673   115.54343   -27.18216
   65    64 S   O    _O40    59     1.26336   110.92950   120.12030
   66    61 S   CT   _C23    84     1.51196   116.88521    -2.57527
   67    66 S   HC   _H8_    85     1.09743   110.81214   168.65811
   68    59 S   CT   _C17    90     1.53572   102.36731  -141.99235
   69    68 S   HC   _H5_    91     1.09770   110.54280   -72.46926
   70    63 S   OH   _O33    47     1.36588   122.77822    -3.99439
   71    70 S   HO   _H14    48     0.96835   110.05066  -178.94094
   72    64 S   CM   _C20    60     1.36216   115.42511   -61.67731
   73    66 S   OH   _O35    88     1.40799   110.27759   -72.95353
   74    73 S   HO   _H15    89     0.97380   107.57418   -60.02042
   75    68 S   OH   _O41    92     1.41318   114.39858   165.85177
   76    75 S   HO   _H23    93     0.97294   107.22929  -180.00000
   77    72 S   CMA  _C32    61     1.49921   119.98171  -178.42816
   78    77 S   OM   _O38    62     1.22555   121.79827    -4.34826
   79    77 S   CA   _C31    63     1.47560   117.77226   175.30122
   80    79 S   CA   _C26    64     1.39270   121.47077   -10.56017
   81    80 S   CA   _C27    65     1.40098   120.24239  -177.54600
   82    81 S   HA   _H17    66     1.08711   120.71991  -179.88131
   83    80 S   CO4  _C25    77     1.47374   120.37270     2.41387
   84    83 S   O    _O37    78     1.22829   118.63017  -159.32483
   85    81 S   CA   _C28    67     1.39375   120.03796    -0.47970
   86    72 S   CT   _C21    79     1.52194   120.24009     5.66877
   87    85 S   CA   _C29    68     1.39271   119.93435     0.19782
   88    87 S   HA   _H18    69     1.08802   120.02164  -179.88131
   89    85 S   CT   _C33    73     1.49078   120.06127  -179.73312
   90    89 S   HC   _H20    74     1.09737   110.38371    89.93675
   91    89 S   HC   _H21    75     1.09691   111.31751  -149.48853
   92    89 S   HC   _H22    76     1.09812   111.26125   -30.45895
   93    86 S   CT   _C16    80     1.58862   111.54337   -29.81664
   94    93 S   HC   _H4_    81     1.09432   113.56190  -133.56970
   95    79 S   CA   _C30    70     1.40188   119.05035   171.52314
   96    95 S   OH   _O39    71     1.36343   122.91916    -2.73552
   97    96 S   HO   _H19    72     0.96941   110.08360     0.72847
  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  22  21   9   5   1  12  14   4   1  12  12   4
  12   3   8  16   8   3   4   2   1   1  15   8  14   7   2  11
   4   9   4   8   5   1   1  10   3   1   4   1  10   4  12  11
  12   4   6   2   8   2   8   3   4   2   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    86    66    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    52    59    72    83    86    93    61    66    67    38    39    73    44    40    41  
   35    36  
   36  
    0  
   42    43    46    63    49    50    52    59    60    64    86    93    61    62    66    38    39    68    44    45    40    41  
   39    73    74    68    40    41    42    52    61    62    64    66    67    72    77    80    83    84    86    93    94  
   73    40    61    66    67    72    83    86    93  
   41    42    52    66    86  
    0  
   43    46    47    53    63    70    49    52    59    61    44    45  
   46    47    48    51    53    54    63    70    71    49    50    52    44    45  
   45    46    52    63  
    0  
   47    48    51    53    63    70    55    49    50    52    59    61  
   48    51    53    54    63    55    56    57    58    49    50    52  
   51    53    55    49  
   50    52    59    60    64    93    61    62    66    68    51    63  
   52    59    61  
   53    54    63    70    55    56    57    58  
   59    60    64    65    72    86    93    94    61    62    66    67    73    68    69    75  
   54    63    70    71    55    56    57    58  
   63    70    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    77    86    93    94    61    62    66    68    69    75    76  
   64    65    72    93    61    68    69    75  
   62    66    67    73    74    68    69    75    64    72    83    86    93    94  
   66    67    73    68    86    93    94  
   70    71  
   65    72    77    78    79    83    86    93    68    69    75  
   72    77    86    68  
   67    73    74    68    72    83    86    93    94  
   73    74    86    93  
   69    75    76    72    83    86    93    94  
   75    76    86    93    94  
   71  
    0  
   77    78    79    80    95    83    84    86    93    94  
   74    86    93  
    0  
   76    86    93    94  
   93  
   78    79    80    81    87    95    96    83    86    93  
   79    80    95    86  
   80    81    82    85    87    88    95    96    97    83    84    86  
   81    82    85    87    95    96    89    83    84    86    93  
   82    85    87    88    95    89    90    91    92    83    84    86  
   85    87    89    83  
   84    86    93    94    85    95  
   86    93  
   87    88    95    96    89    90    91    92  
   93    94  
   88    95    96    97    89    90    91    92  
   95    96    89  
   90    91    92    95  
   91    92  
   92  
    0  
   94  
    0  
   96    97  
   97  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   96   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   97   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    38   268.000  1.529
   33    40   320.000  1.410
   37    42   549.000  1.340
   37    52   317.000  1.510
   42    43   320.000  1.460
   42    44   510.000  1.338
   43    46   469.000  1.400
   43    63   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   317.000  1.510
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    70   450.000  1.364
   70    71   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    59   268.000  1.529
   52    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    68   268.000  1.529
   64    65   570.000  1.229
   64    72   320.000  1.462
   72    77   465.000  1.376
   72    86   317.000  1.510
   77    78   745.000  1.250
   77    79   320.000  1.460
   79    80   469.000  1.400
   79    95   469.000  1.400
   80    81   469.000  1.400
   80    83   310.000  1.470
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    87   469.000  1.400
   85    89   317.000  1.510
   87    88   367.000  1.080
   87    95   469.000  1.400
   95    96   450.000  1.364
   96    97   553.000  0.945
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    93   268.000  1.529
   86    38   268.000  1.529
   93    94   340.000  1.090
   93    61   268.000  1.529
   93    68   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    38   268.000  1.529
   66    73   320.000  1.410
   38    39   340.000  1.090
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    75   320.000  1.410
   75    76   553.000  0.945
   44    45   553.000  0.945
   40    41   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    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    52    65.00000  117.92700
   33    38    86    58.35000  112.70000
   33    38    66    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    40    41    55.00000  108.50000
   37    42    43    60.00000  123.20500
   37    42    44    80.00000  121.38400
   37    52    49    70.00000  109.06800
   37    52    59    70.00000  112.02700
   37    52    61    70.00000  112.02700
   42    43    46    60.00000  120.93500
   42    43    63    60.00000  120.93500
   42    44    45    70.00000  107.45700
   43    46    47    63.00000  120.00000
   43    46    49    60.00000  119.52600
   43    63    53    63.00000  120.00000
   43    63    70    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    52    65.00000  115.47100
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    63    63.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   53    63    70    70.00000  120.00000
   63    43    46    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    71    35.00000  113.00000
   55    51    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    46    47    60.00000  119.52600
   49    52    59    63.00000  111.10000
   49    52    61    63.00000  111.10000
   52    37    42    70.00000  124.00000
   52    49    50    80.00000  120.40000
   52    59    60    37.50000  110.70000
   52    59    64    63.00000  111.10000
   52    59    68    58.35000  112.70000
   52    61    93    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   59    64    65    80.00000  120.40000
   59    64    72    65.00000  118.62400
   59    68    93    58.35000  112.70000
   59    68    69    37.50000  110.70000
   59    68    75    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    72    77    60.00000  125.92000
   64    72    86    65.00000  116.34900
   72    64    65    80.00000  123.72100
   72    77    78    65.00000  137.10300
   72    77    79    60.00000  123.20500
   72    86    83    70.00000  109.06800
   72    86    93    70.00000  112.02700
   72    86    38    70.00000  112.02700
   77    79    80    60.00000  120.93500
   77    79    95    60.00000  120.93500
   79    77    78    85.00000  114.86500
   79    80    81    63.00000  120.00000
   79    80    83    60.00000  119.52600
   79    95    87    63.00000  120.00000
   79    95    96    70.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    75.00000  123.78400
   80    83    86    65.00000  115.47100
   81    85    87    63.00000  120.00000
   81    85    89    70.00000  120.00000
   85    81    82    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    95    63.00000  120.00000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   87    95    96    70.00000  120.00000
   95    79    80    63.00000  120.00000
   95    87    88    35.00000  120.00000
   95    96    97    35.00000  113.00000
   89    85    87    70.00000  120.00000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   83    80    81    60.00000  119.52600
   83    86    93    63.00000  111.10000
   83    86    38    63.00000  111.10000
   86    72    77    70.00000  124.00000
   86    83    84    80.00000  120.40000
   86    93    94    37.50000  110.70000
   86    93    61    58.35000  112.70000
   86    93    68    58.35000  112.70000
   86    38    66    58.35000  112.70000
   86    38    39    37.50000  110.70000
   93    61    62    37.50000  110.70000
   93    61    66    58.35000  112.70000
   93    68    69    37.50000  110.70000
   93    68    75    50.00000  109.50000
   61    52    59    58.35000  112.70000
   61    93    94    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    38    58.35000  112.70000
   61    66    73    50.00000  109.50000
   66    61    62    37.50000  110.70000
   66    38    39    37.50000  110.70000
   66    73    74    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    86    93    58.35000  112.70000
   38    66    67    37.50000  110.70000
   73    66    67    35.00000  109.50000
   73    66    38    50.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    64    63.00000  111.10000
   68    93    94    37.50000  110.70000
   68    93    61    58.35000  112.70000
   68    75    76    55.00000  108.50000
   75    68    69    35.00000  109.50000
   44    42    43    85.00000  114.86500
   40    33    37    90.00000  110.39200
   40    33    38    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  -0.62250  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    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
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    52   0.30250  1.0 1.0
   29    33    37    52  -0.14950 -1.0 2.0
   29    33    37    52   0.36900  1.0 3.0
   29    33    38    86   0.44750  1.0 1.0
   29    33    38    86  -0.17800 -1.0 2.0
   29    33    38    86   0.20200  1.0 3.0
   29    33    38    66   0.44750  1.0 1.0
   29    33    38    66  -0.17800 -1.0 2.0
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   38    33    40    41   0.21250  1.0 3.0
   38    86    93    94   0.15000  1.0 3.0
   38    86   -93    61   0.56750  1.0 1.0
   38    86   -93    61  -0.07550 -1.0 2.0
   38    86   -93    61   0.20000  1.0 3.0
   38    86    93    68   0.56750  1.0 1.0
   38    86    93    68  -0.07550 -1.0 2.0
   38    86    93    68   0.20000  1.0 3.0
   38    66    73    74  -0.11600  1.0 1.0
   38    66    73    74  -0.09450 -1.0 2.0
   38    66    73    74   0.21250  1.0 3.0
   73    66    38    33   0.86500  1.0 1.0
   73    66    38    33  -0.17500 -1.0 2.0
   73    66    38    33   0.20800  1.0 3.0
   73    66    38    86   0.86500  1.0 1.0
   73    66    38    86  -0.17500 -1.0 2.0
   73    66    38    86   0.20800  1.0 3.0
   73    66    38    39   0.23400  1.0 3.0
   68    59    64    65   0.30150 -1.0 2.0
   68    59   -64    72   0.65300  1.0 1.0
   68    59   -64    72  -0.03850 -1.0 2.0
   68    59   -64    72   0.33900  1.0 3.0
   68    93   -61    52   0.56750  1.0 1.0
   68    93   -61    52  -0.07550 -1.0 2.0
   68    93   -61    52   0.20000  1.0 3.0
   68    93    61    62   0.15000  1.0 3.0
   68    93    61    66   0.56750  1.0 1.0
   68    93    61    66  -0.07550 -1.0 2.0
   68    93    61    66   0.20000  1.0 3.0
   69    68    75    76   0.19450  1.0 3.0
   44    42    43    46  -0.01750  1.0 1.0
   44    42    43    46  -0.32000 -1.0 2.0
   44    42    43    46   0.00600  1.0 3.0
   44    42    43    63  -0.01750  1.0 1.0
   44    42    43    63  -0.32000 -1.0 2.0
   44    42    43    63   0.00600  1.0 3.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    52   0.18000  1.0 1.0
   40    33    37    52   0.16450 -1.0 2.0
   40    33    37    52   0.04450  1.0 3.0
   40    33    38    86   0.86500  1.0 1.0
   40    33    38    86  -0.17500 -1.0 2.0
   40    33    38    86   0.20800  1.0 3.0
   40    33    38    66   0.86500  1.0 1.0
   40    33    38    66  -0.17500 -1.0 2.0
   40    33    38    66   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    52    37    42   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   46    63    43    42   4.00000 -1.0 2.0
   47    49    46    43   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   63    54    53    51   1.10000 -1.0 2.0
   53    70    63    43   4.00000 -1.0 2.0
   46    52    49    50  10.50000 -1.0 2.0
   59    72    64    65  10.50000 -1.0 2.0
   64    86    72    77   1.10000 -1.0 2.0
   79    78    77    72   1.10000 -1.0 2.0
   80    95    79    77   4.00000 -1.0 2.0
   81    83    80    79   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   87    89    85    81   4.00000 -1.0 2.0
   95    88    87    85   1.10000 -1.0 2.0
   87    96    95    79   4.00000 -1.0 2.0
   80    86    83    84  10.50000 -1.0 2.0
END
