* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    214     435
    1     0 S   NP   _N1_     1    29.27543    93.81260   -24.47517
    2     1 S   H    _HN1     2     1.02949    85.59865     9.44040
    3     1 S   H    _H1_     3     1.02829    22.49427   172.31650
    4     1 S   H    _H2_     4     1.02785   109.75070   -98.50139
    5     1 S   CT   _CA1     5     1.50109   126.46219   121.65206
    6     5 S   HC   _HA1     6     1.09572   105.20397    77.70739
    7     5 S   CO3  _C1_     7     1.53787   112.44537   -42.54642
    8     7 S   O2Z  _O11     8     1.26372   115.00357   -42.97252
    9     7 S   O2Z  _O12     9     1.26239   114.94915   136.16801
   10     5 S   CT   _CB1    10     1.53079   107.42549  -164.30268
   11    10 S   HC   HB11    11     1.09833   109.38740   -49.72744
   12    10 S   HC   HB12    12     1.09814   110.44557    66.88268
   13    10 S   CT   _CG1    13     1.52991   112.59753  -170.70322
   14    13 S   HC   HG11    14     1.09582   110.62661   -65.26743
   15    13 S   HC   HG12    15     1.09668   109.79911    53.97083
   16    13 S   C    _CD1    16     1.51789   112.21929   174.43218
   17    16 S   O    _OE1    17     1.22729   123.27600     6.41833
   18    16 S   N    _N2_    18     1.38667   111.67505  -173.66216
   19    18 S   H    _HN2    19     1.01574   118.95109     1.91172
   20    18 S   CT1  _CA2    20     1.46172   123.35294   177.80296
   21    20 S   HC   _HA2    21     1.09748   109.35063     3.31097
   22    20 S   C    _C2_    22     1.53548   108.61315  -112.16853
   23    22 S   O    _O2_    23     1.23062   122.29993  -147.16611
   24    20 S   CT   _CB2    32     1.53421   111.75078   125.24482
   25    24 S   HC   HB21    33     1.09549   110.04365    56.68913
   26    24 S   HC   HB22    34     1.09371   109.55148   175.34377
   27    22 S   N    _N3_    24     1.38329   113.69481    40.21536
   28    27 S   H    _HN3    25     1.01583   119.60376    -3.19666
   29    24 S   S    _SG2    35     1.83018   111.19243   -63.49708
   30    27 S   CT   _CA3    26     1.45290   123.20823   177.14631
   31    30 S   HC   HA31    27     1.09548   107.49677   -64.79151
   32    30 S   HC   HA32    28     1.09556   107.99602    51.64424
   33    29 S   CT   _C13    36     1.87271   101.90889  -160.12678
   34    30 S   CO3  _C3_    29     1.52962   114.08986   173.64584
   35    34 S   O2Z  _O31    30     1.26378   116.07213    -0.92302
   36    34 S   O2Z  _O32    31     1.26431   114.41141   179.14614
   37    33 S   CO4  _C7_    37     1.53910   108.39867    63.57709
   38    37 S   O    _O21    38     1.23122   123.09665    24.35077
   39    33 S   CT   _C20    59     1.56299   108.11749  -178.56115
   40    39 S   HC   _H46    60     1.09484   109.99253   175.74923
   41    39 S   HC   _H47    61     1.09823   109.64003    61.52399
   42    37 S   CM   _C5_    39     1.49564   118.19284  -159.11643
   43    39 S   CM   _C8_    62     1.51026   116.39490   -58.99600
   44    43 S   HC   _H25    63     1.09006   113.93383    78.03608
   45    42 S   CM   _C4_    40     1.34120   121.36912     6.59273
   46    42 S   OS   _O23    54     1.38527   117.26171  -166.92900
   47    43 S   CM   _C10    64     1.34794   128.67413  -103.27998
   48    45 S   CO4  _C6_    41     1.49114   120.88256     9.61566
   49    48 S   O    _O20    42     1.23005   119.73471  -174.86451
   50    45 S   OS   _O22    49     1.38403   121.43197  -176.13776
   51    46 S   CT   _C19    55     1.42649   110.45714   -87.65043
   52    51 S   HC   _H43    56     1.09392   107.90456  -179.64834
   53    51 S   HC   _H44    57     1.09494   111.44673    61.80276
   54    51 S   HC   _H45    58     1.09549   110.93482   -61.37442
   55    47 S   CT   _C14    65     1.50297   125.14059     1.04829
   56    55 S   HC   _H28    66     1.09451   110.36251   116.24231
   57    55 S   HC   _H29    67     1.09504   110.11881  -124.14378
   58    55 S   HC   _H30    68     1.09138   113.51814    -4.15907
   59    47 S   CT   _C22    69     1.51933   119.56112  -178.10773
   60    59 S   HC   _H50    70     1.09775   108.54559   130.17075
   61    59 S   HC   _H51    71     1.09819   110.24679    15.49734
   62    33 S   CT   _C12    43     1.55240   110.81433   -55.92526
   63    62 S   HC   _H27    44     1.09863   109.80696    58.80012
   64    50 S   CT   _C18    50     1.42660   110.42997    96.71426
   65    64 S   HC   _H40    51     1.09391   107.91716   179.44152
   66    64 S   HC   _H41    52     1.09503   111.41535    60.86850
   67    64 S   HC   _H42    53     1.09545   110.93567   -62.28782
   68    59 S   CT   _C21    72     1.53465   114.76944  -107.84629
   69    68 S   HC   _H48    73     1.09712   110.03740   -63.10530
   70    68 S   HC   _H49    74     1.09632   109.24624  -178.04395
   71    62 S   CT   _C17    45     1.53416   115.08831   -62.18530
   72    71 S   HC   _H37    46     1.09480   111.86777   -66.72024
   73    71 S   HC   _H38    47     1.09645   110.28112   174.64226
   74    71 S   HC   _H39    48     1.09316   112.27740    55.58604
   75    68 S   CM   _C9_    75     1.50334   113.47953    58.44623
   76    75 S   HC   _H26    76     1.08864   114.29140   -94.92107
   77    75 S   CM   _C11    77     1.34617   127.45327    84.94141
   78    77 S   CT   _C15    78     1.50511   120.56790  -179.39607
   79    78 S   HC   _H31    79     1.09475   110.20386   119.35527
   80    78 S   HC   _H32    80     1.09511   112.42418    -0.65012
   81    78 S   HC   _H33    81     1.09482   110.25838  -120.81729
   82    77 S   CT   _C16    82     1.50203   124.74712    -0.50046
   83    82 S   HC   _H34    83     1.09494   110.09786   119.19583
   84    82 S   HC   _H35    84     1.09520   110.06575  -121.40273
   85    82 S   HC   _H36    85     1.09273   113.31490    -1.33149
  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  12   5   4   3
  19   2   1   1  14   5  12   5   4  11  11   3  12   6  11   9
   4   5   3   2   1   1   7   3   2   1   8   5   4   5   4   3
   2   1   1   7   4   3   3   2   1   1  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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    62    63    71    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    48    49    62    63    71    72    73    74    46    39    40    41    43    44    47  
   35    36  
   36  
    0  
   38    42    45    48    62    63    71    50    46    51    39    40    41    43  
   42    45    62    46    39  
   40    41    43    44    47    55    59    42    48    62    63    71  
   41    43    44    47    62  
   43    44    47    62  
   45    48    49    62    50    64    46    51    52    53    54  
   44    47    55    56    57    58    59    60    61    68    62  
   47    55    59  
   48    49    62    63    71    50    64    65    66    67    46    51  
   51    52    53    54    48    50  
   55    56    57    58    59    60    61    68    69    70    75  
   49    62    63    71    72    73    74    50    64  
   62    63    71    50  
   64    65    66    67    62  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    68  
   57    58    59  
   58    59  
   59  
   60    61    68    69    70    75    76    77  
   61    68    69    70    75  
   68    69    70    75  
   63    71    72    73    74  
   71    72    73    74  
   65    66    67  
   66    67  
   67  
    0  
   69    70    75    76    77    78    82  
   70    75    76    77  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    83    84    85  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    62   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   320.000  1.462
   42    45   549.000  1.340
   42    46   440.000  1.360
   45    48   320.000  1.462
   45    50   440.000  1.360
   48    49   570.000  1.229
   48    62   317.000  1.522
   62    63   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   50    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.510
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    55   317.000  1.510
   47    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  118.62400
   33    62    48    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    70.00000  112.02700
   37    42    45    65.00000  118.96000
   37    42    46    85.00000  116.28000
   42    37    38    80.00000  123.72100
   42    45    48    65.00000  118.96000
   42    45    50    80.00000  120.01400
   42    46    51    90.00000  111.18400
   45    48    49    80.00000  123.72100
   45    48    62    65.00000  118.62400
   45    50    64    90.00000  111.18400
   48    62    63    35.00000  109.50000
   48    62    71    63.00000  111.10000
   62    33    37    63.00000  111.10000
   62    48    49    80.00000  120.40000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   71    62    63    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   50    45    48    85.00000  116.28000
   50    64    65    35.00000  109.50000
   50    64    66    35.00000  109.50000
   50    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
   46    42    45    80.00000  120.01400
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    62    58.35000  112.70000
   39    43    44    35.00000  117.00000
   39    43    47    70.00000  124.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    47    55    70.00000  124.00000
   43    47    59    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   47    59    60    35.00000  109.50000
   47    59    61    35.00000  109.50000
   47    59    68    70.00000  112.02700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    47    55    65.00000  117.92700
   59    68    69    37.50000  110.70000
   59    68    70    37.50000  110.70000
   59    68    75    70.00000  112.02700
   61    59    60    33.00000  107.80000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    75    76    35.00000  117.00000
   68    75    77    70.00000  124.00000
   70    68    69    33.00000  107.80000
   75    68    69    35.00000  109.50000
   75    68    70    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    82    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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   0.01700  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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    62    48   0.56750  1.0 1.0
   29    33    62    48  -0.07550 -1.0 2.0
   29    33    62    48   0.20000  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    71   0.44750  1.0 1.0
   29    33    62    71  -0.17800 -1.0 2.0
   29    33    62    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    42    45  -0.33500  1.0 1.0
   33    37    42    45   1.06600 -1.0 2.0
   33    37    42    45  -0.14000  1.0 3.0
   33    37    42    46   0.32450 -1.0 2.0
   33    37    42    46   0.17400  1.0 3.0
   33    62    71    72   0.15000  1.0 3.0
   33    62    71    73   0.15000  1.0 3.0
   33    62    71    74   0.15000  1.0 3.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    43    47   0.09850  1.0 1.0
   33    39    43    47   0.15250 -1.0 2.0
   33    39    43    47  -0.50650  1.0 3.0
   37    33    62    48   0.11950  1.0 1.0
   37    33    62    48   0.20300 -1.0 2.0
   37    33    62    48  -0.70800  1.0 3.0
   37    33    62    63  -0.11250  1.0 3.0
   37    33    62    71  -0.95700  1.0 1.0
   37    33    62    71  -0.18200 -1.0 2.0
   37    33    62    71   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    43  -0.98800  1.0 1.0
   37    33    39    43   0.48800 -1.0 2.0
   37    33    39    43   0.76800  1.0 3.0
   37    42   -45    48   7.00000 -1.0 2.0
   37    42    45    50   7.00000 -1.0 2.0
   37    42    46    51   0.15100 -1.0 2.0
   38    37    42    45   1.00000 -1.0 2.0
   38    37    42    46  -0.11900  1.0 1.0
   38    37    42    46   0.76850 -1.0 2.0
   38    37    42    46   0.14100  1.0 3.0
   42    45    48    49   1.00000 -1.0 2.0
   42    45    48    62  -0.33500  1.0 1.0
   42    45    48    62   1.06600 -1.0 2.0
   42    45    48    62  -0.14000  1.0 3.0
   42    45    50    64  -2.26850  1.0 1.0
   42    45    50    64   3.39050 -1.0 2.0
   42    46    51    52   0.08050  1.0 3.0
   42    46    51    53   0.08050  1.0 3.0
   42    46    51    54   0.08050  1.0 3.0
   45    42    46    51  -2.26850  1.0 1.0
   45    42    46    51   3.39050 -1.0 2.0
   45    48   -62    33   0.65300  1.0 1.0
   45    48   -62    33  -0.03850 -1.0 2.0
   45    48   -62    33   0.33900  1.0 3.0
   45    48    62    63   0.00000  1.0 1.0
   45    48    62    71   0.65300  1.0 1.0
   45    48    62    71  -0.03850 -1.0 2.0
   45    48    62    71   0.33900  1.0 3.0
   45    50    64    65   0.08050  1.0 3.0
   45    50    64    66   0.08050  1.0 3.0
   45    50    64    67   0.08050  1.0 3.0
   48    45    50    64   0.15100 -1.0 2.0
   48    62    71    72  -0.11250  1.0 3.0
   48    62    71    73  -0.11250  1.0 3.0
   48    62    71    74  -0.11250  1.0 3.0
   49    48    62    33   0.30150 -1.0 2.0
   49    48    62    63   0.00000  1.0 1.0
   49    48    62    71   0.30150 -1.0 2.0
   62    33    37    38   0.30150 -1.0 2.0
   62    33   -37    42   0.65300  1.0 1.0
   62    33   -37    42  -0.03850 -1.0 2.0
   62    33   -37    42   0.33900  1.0 3.0
   62    33    39    40   0.15000  1.0 3.0
   62    33    39    41   0.15000  1.0 3.0
   62    33    39    43   0.34400  1.0 1.0
   62    33    39    43   0.09450 -1.0 2.0
   62    33    39    43   0.11100  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    74   0.15000  1.0 3.0
   50    45    48    49  -0.11900  1.0 1.0
   50    45    48    49   0.76850 -1.0 2.0
   50    45    48    49   0.14100  1.0 3.0
   50    45    48    62   0.32450 -1.0 2.0
   50    45    48    62   0.17400  1.0 3.0
   46    42    45    48   7.00000 -1.0 2.0
   46    42    45    50   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    62    48  -0.95700  1.0 1.0
   39    33    62    48  -0.18200 -1.0 2.0
   39    33    62    48   0.29450  1.0 3.0
   39    33    62    63   0.15000  1.0 3.0
   39    33    62    71   0.56750  1.0 1.0
   39    33    62    71  -0.07550 -1.0 2.0
   39    33    62    71   0.20000  1.0 3.0
   39    43    47    55   7.00000 -1.0 2.0
   39    43    47    59   7.00000 -1.0 2.0
   40    39    43    44   0.33100  1.0 3.0
   40    39    43    47   0.00000  1.0 1.0
   41    39    43    44   0.33100  1.0 3.0
   41    39    43    47   0.00000  1.0 1.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57   0.00000  1.0 1.0
   43    47    55    58   0.00000  1.0 1.0
   43    47    59    60   0.00000  1.0 1.0
   43    47    59    61   0.00000  1.0 1.0
   43    47    59    68   0.09850  1.0 1.0
   43    47    59    68   0.15250 -1.0 2.0
   43    47    59    68  -0.50650  1.0 3.0
   44    43    47    55   7.00000 -1.0 2.0
   44    43    47    59   7.00000 -1.0 2.0
   47    59    68    69   0.15000  1.0 3.0
   47    59    68    70   0.15000  1.0 3.0
   47    59    68    75   0.31000  1.0 1.0
   47    59    68    75   0.14700 -1.0 2.0
   47    59    68    75   0.07550  1.0 3.0
   55    47    59    60   0.34800  1.0 3.0
   55    47    59    61   0.34800  1.0 3.0
   55    47    59    68   0.46850  1.0 1.0
   55    47    59    68   0.08550 -1.0 2.0
   55    47    59    68   0.09800  1.0 3.0
   59    47    55    56   0.34800  1.0 3.0
   59    47    55    57   0.34800  1.0 3.0
   59    47    55    58   0.34800  1.0 3.0
   59    68    75    76   0.00000  1.0 1.0
   59    68    75    77   0.09850  1.0 1.0
   59    68    75    77   0.15250 -1.0 2.0
   59    68    75    77  -0.50650  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    75   0.15000  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    70   0.15000  1.0 3.0
   61    59    68    75   0.15000  1.0 3.0
   68    75    77    78   7.00000 -1.0 2.0
   68    75    77    82   7.00000 -1.0 2.0
   69    68    75    76   0.33100  1.0 3.0
   69    68    75    77   0.00000  1.0 1.0
   70    68    75    76   0.33100  1.0 3.0
   70    68    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    81   0.00000  1.0 1.0
   75    77    82    83   0.00000  1.0 1.0
   75    77    82    84   0.00000  1.0 1.0
   75    77    82    85   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    82   7.00000 -1.0 2.0
   78    77    82    83   0.34800  1.0 3.0
   78    77    82    84   0.34800  1.0 3.0
   78    77    82    85   0.34800  1.0 3.0
   82    77    78    79   0.34800  1.0 3.0
   82    77    78    80   0.34800  1.0 3.0
   82    77    78    81   0.34800  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    42    37    38  10.50000 -1.0 2.0
   37    46    42    45   1.10000 -1.0 2.0
   48    50    45    42   1.10000 -1.0 2.0
   45    62    48    49  10.50000 -1.0 2.0
   39    44    43    47  15.00000 -1.0 2.0
   55    59    47    43  15.00000 -1.0 2.0
   68    76    75    77  15.00000 -1.0 2.0
   78    82    77    75  15.00000 -1.0 2.0
END
