* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    145    206     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02015   103.74984     8.86424
    3     1 S   H    _H1_     3     1.02060    42.90683   111.69105
    4     1 S   H    _H2_     4     1.02140    70.42277   -96.41979
    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     1.08612   109.94660   179.10082
   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   _C17    36     1.84962    97.32683   161.85774
   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     1.52778   109.49129   -60.00634
   38    33 S   CT   _C18    79     1.53575   109.13686   177.06322
   39    38 S   HC   _H14    80     1.08524   109.34782   -58.59028
   40    38 S   HC   _H15    81     1.08559   109.30865  -178.61238
   41    38 S   HC   _H16    82     1.08580   109.33718    61.38168
   42    37 S   CM   _C13    38     1.34886   121.47954   116.78080
   43    37 S   CT   _C11    52     1.51466   117.91742   -63.63138
   44    43 S   HC   _H12    53     1.09608   108.70941     0.40056
   45    43 S   HC   _H13    54     1.09223   108.04133   116.21459
   46    42 S   CM   _C14    39     1.44885   122.27027     1.96144
   47    42 S   OH   _O36    50     1.38306   121.02198  -176.59153
   48    47 S   HO   _H21    51     0.96313   109.78914   178.64983
   49    43 S   CM   _C10    55     1.50186   111.90536  -119.06902
   50    49 S   HC   _H11    56     1.08965   114.28483    60.04467
   51    46 S   CM   _C15    40     1.33704   122.91297    -2.87800
   52    46 S   OS   _O35    45     1.38451   117.38071   174.73065
   53    49 S   CM   _C9_    57     1.34808   128.06580  -120.19850
   54    33 S   CO4  _C16    41     1.54292   104.59737    62.26493
   55    54 S   O    _O33    42     1.23320   121.93178    59.84827
   56    51 S   OH   _O34    43     1.37926   121.65489   179.68410
   57    56 S   HO   _H17    44     0.96298   109.87496   179.94405
   58    52 S   CT   _C19    46     1.40467   112.48043   -87.74993
   59    58 S   HC   _H18    47     1.09187   109.53530   179.98022
   60    58 S   HC   _H19    48     1.09277   109.53946    59.18906
   61    58 S   HC   _H20    49     1.09267   108.97771   -60.37770
   62    53 S   CT   _C20    58     1.50775   119.88396    -0.11535
   63    62 S   HC   _H22    59     1.09487   110.67413    90.08349
   64    62 S   HC   _H23    60     1.09482   110.34087   -30.02486
   65    62 S   HC   _H24    61     1.09569   112.39844  -149.91348
   66    53 S   CT   _C8_    62     1.51463   124.99272   177.98384
   67    66 S   HC   _H9_    63     1.09800   108.11610  -120.03588
   68    66 S   HC   _H10    64     1.09516   111.52053    -5.61122
   69    66 S   CT   _C7_    65     1.53427   113.95091   119.27177
   70    69 S   HC   _H7_    66     1.09404   110.52621    67.34791
   71    69 S   HC   _H8_    67     1.09832   108.17927  -177.92105
   72    69 S   CM   _C6_    68     1.50325   112.77083   -59.52969
   73    72 S   HC   _H6_    69     1.08906   113.93580   -54.98809
   74    72 S   CM   _C5_    70     1.34699   128.14644   125.76816
   75    74 S   CT   _C4_    71     1.50569   120.30854   179.06539
   76    75 S   HC   _H3_    72     1.09558   112.45314    90.05100
   77    75 S   HC   _H4_    73     1.09461   110.24162   -30.11718
   78    75 S   HC   _H5_    74     1.09536   110.26647  -149.89853
   79    74 S   CT   _C21    75     1.50184   125.37126    -1.44062
   80    79 S   HC   _H25    76     1.09600   110.00590    89.98800
   81    79 S   HC   _H26    77     1.09191   113.73626  -150.01753
   82    79 S   HC   _H27    78     1.09501   110.09204   -29.24076
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  12  10   4   3  12   3   1
  10   3   6   6  11   3   1   1   1   3   2   1   1   7   3   2
   1   8   5   4   7   4   3  10   3   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    54    55    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    51    54    55    56    47    43    44    45    49    38    39    40    41  
   35    36  
   36  
    0  
   42    46    51    54    55    52    47    48    43    44    45    49    50    53    38    39    40    41  
   39    40    41    42    43    51    54    55  
   40    41    54  
   41    54  
   54  
   46    51    54    56    52    58    47    48    43    44    45    49  
   44    45    49    50    53    62    66    46    47    54  
   45    49    50    53  
   49    50    53  
   51    54    55    56    57    52    58    59    60    61    47    48  
   48    51    52  
    0  
   50    53    62    63    64    65    66    67    68    69  
   53    62    66  
   54    55    56    57    52    58  
   58    59    60    61    54    56  
   62    63    64    65    66    67    68    69    70    71    72  
   55    56    57  
   56  
   57  
    0  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.167500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    54   317.000  1.522
   33    38   268.000  1.529
   37    42   549.000  1.340
   37    43   317.000  1.510
   42    46   380.000  1.444
   42    47   510.000  1.338
   46    51   549.000  1.340
   46    52   440.000  1.360
   51    54   320.000  1.462
   51    56   510.000  1.338
   54    55   570.000  1.229
   56    57   553.000  0.945
   52    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    62   317.000  1.510
   53    66   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    54    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    54    51    65.00000  118.62400
   33    54    55    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    70.00000  123.01800
   37    42    47    80.00000  121.38400
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    49    70.00000  110.12100
   42    46    51    70.00000  123.01800
   42    46    52    80.00000  120.01400
   42    47    48    70.00000  107.45700
   46    51    54    65.00000  118.96000
   46    51    56    80.00000  121.38400
   46    52    58    90.00000  111.18400
   51    54    55    80.00000  123.72100
   51    56    57    70.00000  107.45700
   54    33    37    70.00000  109.06800
   56    51    54    85.00000  116.28000
   52    46    51    80.00000  120.01400
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    46    80.00000  121.38400
   43    37    42    70.00000  124.00000
   43    49    50    35.00000  117.00000
   43    49    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    53    62    70.00000  124.00000
   49    53    66    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    62    63    35.00000  109.50000
   53    62    64    35.00000  109.50000
   53    62    65    35.00000  109.50000
   53    66    67    35.00000  109.50000
   53    66    68    35.00000  109.50000
   53    66    69    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    53    62    65.00000  117.92700
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    70.00000  112.02700
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    79    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    54    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    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    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    54    51   0.65300  1.0 1.0
   29    33    54    51  -0.03850 -1.0 2.0
   29    33    54    51   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    49   0.09700  1.0 1.0
   33    37    43    49   0.15600 -1.0 2.0
   33    37    43    49  -0.50800  1.0 3.0
   37    33    54    51   0.65300  1.0 1.0
   37    33    54    51  -0.03850 -1.0 2.0
   37    33    54    51   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -46    51   0.28850  1.0 1.0
   37    42   -46    51   2.61350 -1.0 2.0
   37    42   -46    51   0.78400  1.0 3.0
   37    42    46    52  -0.51250  1.0 1.0
   37    42    46    52   1.23350 -1.0 2.0
   37    42    47    48  -0.66100  1.0 1.0
   37    42    47    48   1.20850 -1.0 2.0
   37    42    47    48  -0.36000  1.0 3.0
   37    43    49    50   0.00000  1.0 1.0
   37    43    49    53  -0.28300  1.0 1.0
   37    43    49    53   0.26700 -1.0 2.0
   37    43    49    53  -0.63300  1.0 3.0
   42    37    43    44   0.00000  1.0 1.0
   42    37    43    45   0.00000  1.0 1.0
   42    37    43    49  -0.28300  1.0 1.0
   42    37    43    49   0.26700 -1.0 2.0
   42    37    43    49  -0.63300  1.0 3.0
   42    46    51    54   7.00000 -1.0 2.0
   42    46    51    56   7.00000 -1.0 2.0
   42    46    52    58  -2.26850  1.0 1.0
   42    46    52    58   3.39050 -1.0 2.0
   46    42    47    48  -0.66100  1.0 1.0
   46    42    47    48   1.20850 -1.0 2.0
   46    42    47    48  -0.36000  1.0 3.0
   46    51   -54    33  -0.33500  1.0 1.0
   46    51   -54    33   1.06600 -1.0 2.0
   46    51   -54    33  -0.14000  1.0 3.0
   46    51    54    55   1.00000 -1.0 2.0
   46    51    56    57  -0.66100  1.0 1.0
   46    51    56    57   1.20850 -1.0 2.0
   46    51    56    57  -0.36000  1.0 3.0
   46    52    58    59   0.08050  1.0 3.0
   46    52    58    60   0.08050  1.0 3.0
   46    52    58    61   0.08050  1.0 3.0
   51    46    52    58  -2.26850  1.0 1.0
   51    46    52    58   3.39050 -1.0 2.0
   54    33   -37    42  -0.51250  1.0 1.0
   54    33   -37    42  -0.88800 -1.0 2.0
   54    33   -37    42   0.08850  1.0 3.0
   54    33    37    43   0.17250  1.0 1.0
   54    33    37    43  -0.04100 -1.0 2.0
   54    33    37    43  -0.33850  1.0 3.0
   54    33    38    39  -0.11250  1.0 3.0
   54    33    38    40  -0.11250  1.0 3.0
   54    33    38    41  -0.11250  1.0 3.0
   54    51    56    57   2.00000 -1.0 2.0
   56    51    54    33   0.32450 -1.0 2.0
   56    51    54    33   0.17400  1.0 3.0
   56    51    54    55  -0.11900  1.0 1.0
   56    51    54    55   0.76850 -1.0 2.0
   56    51    54    55   0.14100  1.0 3.0
   52    46    51    54   7.00000 -1.0 2.0
   52    46    51    56   7.00000 -1.0 2.0
   47    42    46    51   0.50950  1.0 1.0
   47    42    46    51   0.56650 -1.0 2.0
   47    42    46    51   0.34050  1.0 3.0
   47    42    46    52   1.08500 -1.0 2.0
   43    37    42    46   7.00000 -1.0 2.0
   43    37    42    47   7.00000 -1.0 2.0
   43    49    53    62   7.00000 -1.0 2.0
   43    49    53    66   7.00000 -1.0 2.0
   44    43    49    50   0.33100  1.0 3.0
   44    43    49    53   0.00000  1.0 1.0
   45    43    49    50   0.33100  1.0 3.0
   45    43    49    53   0.00000  1.0 1.0
   49    53    62    63   0.00000  1.0 1.0
   49    53    62    64   0.00000  1.0 1.0
   49    53    62    65   0.00000  1.0 1.0
   49    53    66    67   0.00000  1.0 1.0
   49    53    66    68   0.00000  1.0 1.0
   49    53    66    69   0.09850  1.0 1.0
   49    53    66    69   0.15250 -1.0 2.0
   49    53    66    69  -0.50650  1.0 3.0
   50    49    53    62   7.00000 -1.0 2.0
   50    49    53    66   7.00000 -1.0 2.0
   53    66    69    70   0.15000  1.0 3.0
   53    66    69    71   0.15000  1.0 3.0
   53    66    69    72   0.31000  1.0 1.0
   53    66    69    72   0.14700 -1.0 2.0
   53    66    69    72   0.07550  1.0 3.0
   62    53    66    67   0.34800  1.0 3.0
   62    53    66    68   0.34800  1.0 3.0
   62    53    66    69   0.46850  1.0 1.0
   62    53    66    69   0.08550 -1.0 2.0
   62    53    66    69   0.09800  1.0 3.0
   66    53    62    63   0.34800  1.0 3.0
   66    53    62    64   0.34800  1.0 3.0
   66    53    62    65   0.34800  1.0 3.0
   66    69    72    73   0.00000  1.0 1.0
   66    69    72    74   0.09850  1.0 1.0
   66    69    72    74   0.15250 -1.0 2.0
   66    69    72    74  -0.50650  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    79   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    78   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    54    51   0.65300  1.0 1.0
   38    33    54    51  -0.03850 -1.0 2.0
   38    33    54    51   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
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    43    37    42   1.10000 -1.0 2.0
   46    47    42    37   1.10000 -1.0 2.0
   42    52    46    51   1.10000 -1.0 2.0
   54    56    51    46   1.10000 -1.0 2.0
   33    51    54    55  10.50000 -1.0 2.0
   43    50    49    53  15.00000 -1.0 2.0
   62    66    53    49  15.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   75    79    74    72  15.00000 -1.0 2.0
END
