* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    163    227     467
    1     0 S   NP   _N1_     1    28.94105    93.22862   -23.71574
    2     1 S   H    _HN1     2     1.02730   102.06645   -76.80121
    3     1 S   H    _H1_     3     1.02904    91.30605    31.95158
    4     1 S   H    _H2_     4     1.02834    20.36170   174.28975
    5     1 S   CT   _CA1     5     1.49981   129.91644   150.69202
    6     5 S   HC   _HA1     6     1.09597   105.18833    71.01443
    7     5 S   CO3  _C1_     7     1.53771   112.37425   -48.89539
    8     7 S   O2Z  _O11     8     1.26283   115.17919   -53.59058
    9     7 S   O2Z  _O12     9     1.26253   114.81627   125.58591
   10     5 S   CT   _CB1    10     1.53068   107.32724  -171.49938
   11    10 S   HC   HB11    11     1.09818   109.24486   -53.06109
   12    10 S   HC   HB12    12     1.09839   110.56929    63.44923
   13    10 S   CT   _CG1    13     1.52974   112.45472  -174.20749
   14    13 S   HC   HG11    14     1.09608   110.28410   -62.68945
   15    13 S   HC   HG12    15     1.09639   110.13738    56.46148
   16    13 S   C    _CD1    16     1.51732   112.24885   176.63344
   17    16 S   O    _OE1    17     1.22733   123.19492    -9.85680
   18    16 S   N    _N2_    18     1.38652   111.68147   170.81521
   19    18 S   H    _HN2    19     1.01592   119.10793     0.43386
   20    18 S   CT1  _CA2    20     1.46076   123.24419  -178.97837
   21    20 S   HC   _HA2    21     1.09572   109.07258   -15.30080
   22    20 S   C    _C2_    22     1.53426   108.63783  -130.43493
   23    22 S   O    _O2_    23     1.23017   122.16943  -147.69897
   24    20 S   CT   _CB2    32     1.53486   111.74320   107.15006
   25    24 S   HC   HB21    33     1.09654   109.55454    60.41707
   26    24 S   HC   HB22    34     1.09566   111.02785   177.84097
   27    22 S   N    _N3_    24     1.38495   113.37713    39.90589
   28    27 S   H    _HN3    25     1.01530   118.89812    -0.91257
   29    24 S   S    _SG2    35     1.82844   114.46419   -59.31068
   30    27 S   CT   _CA3    26     1.45444   123.49740   174.59147
   31    30 S   HC   HA31    27     1.09519   109.29238    23.53034
   32    30 S   HC   HA32    28     1.09495   107.12458   140.58535
   33    29 S   CT   _C11    36     1.82062    99.65063   -71.72849
   34    33 S   HC   _H14    37     1.09470   109.00359   -62.83511
   35    33 S   HC   _H15    38     1.08905   109.38149    54.96201
   36    30 S   CO3  _C3_    29     1.52933   113.02204   -99.94858
   37    36 S   O2Z  _O31    30     1.26410   115.38776   -44.33385
   38    36 S   O2Z  _O32    31     1.26348   114.98940   136.54260
   39    33 S   CM   _C10    39     1.49939   109.02825   178.31136
   40    39 S   HC   _H13    40     1.09024   114.27355    64.58967
   41    39 S   CM   _C9_    41     1.34848   127.99854  -115.77967
   42    41 S   CT   _C12    42     1.50435   124.75210    -1.08372
   43    42 S   HC   _H16    43     1.09415   110.21356   104.49950
   44    42 S   HC   _H17    44     1.09544   110.25015  -135.89624
   45    42 S   HC   _H18    45     1.09168   113.49650   -16.73225
   46    41 S   CT   _C8_    46     1.51687   119.91759  -179.85065
   47    46 S   HC   _H11    47     1.09781   108.12616   119.53930
   48    46 S   HC   _H12    48     1.09777   110.70522     4.34267
   49    46 S   CT   _C7_    49     1.53518   115.05628  -118.95583
   50    49 S   HC   _H9_    50     1.09524   107.10717  -176.16023
   51    49 S   HC   _H10    51     1.09649   110.11611   -60.75858
   52    49 S   CT   _C6_    52     1.53440   113.34990    62.45285
   53    52 S   HC   _H7_    53     1.09733   109.56839    56.50644
   54    52 S   HC   _H8_    54     1.09688   108.72996   -59.81723
   55    52 S   CT   _C5_    55     1.54679   113.32570   179.39187
   56    55 S   HC   _H3_    56     1.09555   107.79454    52.03729
   57    55 S   CT   _C4_    57     1.53219   111.38535   -66.64658
   58    57 S   HC   _H4_    58     1.09514   111.11041   -60.19152
   59    57 S   HC   _H5_    59     1.09291   111.63482   179.19303
   60    57 S   HC   _H6_    60     1.09357   111.57266    60.48848
   61    55 S   CT   _C13    61     1.54673   109.21489   169.93026
   62    61 S   HC   _H19    62     1.09844   109.02150   -51.66607
   63    61 S   HC   _H20    63     1.09790   109.11216    63.81880
   64    61 S   CT   _C14    64     1.53648   115.56527  -173.92962
   65    64 S   HC   _H21    65     1.09765   108.01644  -177.85771
   66    64 S   HC   _H22    66     1.09166   110.11472   -63.28608
   67    64 S   CM   _C15    67     1.50345   112.79527    63.76749
   68    67 S   HC   _H23    68     1.08828   113.44131    61.17090
   69    67 S   CM   _C16    69     1.34755   128.82620  -118.72630
   70    69 S   CT   _C17    70     1.50375   124.91442    -1.08047
   71    70 S   HC   _H24    71     1.09437   110.36335   110.31403
   72    70 S   HC   _H25    72     1.09154   113.51002   -10.65876
   73    70 S   HC   _H26    73     1.09532   110.17776  -130.06147
   74    69 S   CT   _C18    74     1.51970   119.91404  -179.80021
   75    74 S   HC   _H27    75     1.09790   110.63088    14.29352
   76    74 S   HC   _H28    76     1.09784   108.26045   129.17377
   77    74 S   CT   _C19    77     1.53493   114.45488  -109.35707
   78    77 S   HC   _H29    78     1.09456   108.62327  -170.23586
   79    77 S   HC   _H30    79     1.09675   110.36397   -55.33021
   80    77 S   CM   _C20    80     1.50463   112.83050    65.97958
   81    80 S   HC   _H31    81     1.08892   114.07384   -74.39988
   82    80 S   CM   _C21    82     1.34646   128.05583   107.45852
   83    82 S   CT   _C22    83     1.50574   120.32397   178.32801
   84    83 S   HC   _H32    84     1.09486   110.29905   118.48911
   85    83 S   HC   _H33    85     1.09491   112.32779    -1.60754
   86    83 S   HC   _H34    86     1.09488   110.25040  -121.61030
   87    82 S   CT   _C23    87     1.50205   125.12460    -1.59679
   88    87 S   HC   _H35    88     1.09472   110.05683   108.43289
   89    87 S   HC   _H36    89     1.09237   113.31862   -12.92580
   90    87 S   HC   _H37    90     1.09512   110.25158  -132.39874
  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   6   5   4   3
   7   4   3   2   1   1  10   3  11   7   3   2   1   9   5   4
   9   5   4  12   5   4  12   8   7   3   2   1   8   5   4   7
   4   3  10   3  11   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    46  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    46    47    48    49  
   44    45    46  
   45    46  
   46  
   47    48    49    50    51    52    53    54    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    56    57    61  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61    62    63    64  
   54    55    56    57    61  
   55    56    57    61  
   56    57    58    59    60    61    62    63    64    65    66    67  
   57    58    59    60    61    62    63    64  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    74  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74    75    76    77  
   69    70    74  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    87  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87    88    89    90  
   82    83    87  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    46   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   317.000  1.510
   69    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.510
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   317.000  1.510
   82    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    70.00000  124.00000
   39    41    46    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    70.00000  112.02700
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    41    42    65.00000  117.92700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    61    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   57    55    56    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    58.35000  112.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    35.00000  117.00000
   64    67    69    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    74    70.00000  124.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    70.00000  112.02700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    69    70    65.00000  117.92700
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    35.00000  117.00000
   77    80    82    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    70.00000  124.00000
   80    82    87    70.00000  124.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    82    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    46   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    44   0.00000  1.0 1.0
   39    41    42    45   0.00000  1.0 1.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    48   0.00000  1.0 1.0
   39    41    46    49   0.09850  1.0 1.0
   39    41    46    49   0.15250 -1.0 2.0
   39    41    46    49  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    46   7.00000 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.34400  1.0 1.0
   41    46    49    52   0.09450 -1.0 2.0
   41    46    49    52   0.11100  1.0 3.0
   42    41    46    47   0.34800  1.0 3.0
   42    41    46    48   0.34800  1.0 3.0
   42    41    46    49   0.46850  1.0 1.0
   42    41    46    49   0.08550 -1.0 2.0
   42    41    46    49   0.09800  1.0 3.0
   46    41    42    43   0.34800  1.0 3.0
   46    41    42    44   0.34800  1.0 3.0
   46    41    42    45   0.34800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49    52    55   0.56750  1.0 1.0
   46    49    52    55  -0.07550 -1.0 2.0
   46    49    52    55   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52    55    61   0.56750  1.0 1.0
   49    52    55    61  -0.07550 -1.0 2.0
   49    52    55    61   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.15000  1.0 3.0
   52    55    61    62   0.15000  1.0 3.0
   52    55    61    63   0.15000  1.0 3.0
   52    55    61    64   0.56750  1.0 1.0
   52    55    61    64  -0.07550 -1.0 2.0
   52    55    61    64   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    61   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    61   0.15000  1.0 3.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.15000  1.0 3.0
   55    61    64    67   0.34400  1.0 1.0
   55    61    64    67   0.09450 -1.0 2.0
   55    61    64    67   0.11100  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.56750  1.0 1.0
   57    55    61    64  -0.07550 -1.0 2.0
   57    55    61    64   0.20000  1.0 3.0
   61    55    57    58   0.15000  1.0 3.0
   61    55    57    59   0.15000  1.0 3.0
   61    55    57    60   0.15000  1.0 3.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.09850  1.0 1.0
   61    64    67    69   0.15250 -1.0 2.0
   61    64    67    69  -0.50650  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    70   7.00000 -1.0 2.0
   64    67    69    74   7.00000 -1.0 2.0
   65    64    67    68   0.33100  1.0 3.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.33100  1.0 3.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    70    71   0.00000  1.0 1.0
   67    69    70    72   0.00000  1.0 1.0
   67    69    70    73   0.00000  1.0 1.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    77   0.09850  1.0 1.0
   67    69    74    77   0.15250 -1.0 2.0
   67    69    74    77  -0.50650  1.0 3.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    74   7.00000 -1.0 2.0
   69    74    77    78   0.15000  1.0 3.0
   69    74    77    79   0.15000  1.0 3.0
   69    74    77    80   0.31000  1.0 1.0
   69    74    77    80   0.14700 -1.0 2.0
   69    74    77    80   0.07550  1.0 3.0
   70    69    74    75   0.34800  1.0 3.0
   70    69    74    76   0.34800  1.0 3.0
   70    69    74    77   0.46850  1.0 1.0
   70    69    74    77   0.08550 -1.0 2.0
   70    69    74    77   0.09800  1.0 3.0
   74    69    70    71   0.34800  1.0 3.0
   74    69    70    72   0.34800  1.0 3.0
   74    69    70    73   0.34800  1.0 3.0
   74    77    80    81   0.00000  1.0 1.0
   74    77    80    82   0.09850  1.0 1.0
   74    77    80    82   0.15250 -1.0 2.0
   74    77    80    82  -0.50650  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    82    83   7.00000 -1.0 2.0
   77    80    82    87   7.00000 -1.0 2.0
   78    77    80    81   0.33100  1.0 3.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.33100  1.0 3.0
   79    77    80    82   0.00000  1.0 1.0
   80    82    83    84   0.00000  1.0 1.0
   80    82    83    85   0.00000  1.0 1.0
   80    82    83    86   0.00000  1.0 1.0
   80    82    87    88   0.00000  1.0 1.0
   80    82    87    89   0.00000  1.0 1.0
   80    82    87    90   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    87   7.00000 -1.0 2.0
   83    82    87    88   0.34800  1.0 3.0
   83    82    87    89   0.34800  1.0 3.0
   83    82    87    90   0.34800  1.0 3.0
   87    82    83    84   0.34800  1.0 3.0
   87    82    83    85   0.34800  1.0 3.0
   87    82    83    86   0.34800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    46    41    39  15.00000 -1.0 2.0
   64    68    67    69  15.00000 -1.0 2.0
   70    74    69    67  15.00000 -1.0 2.0
   77    81    80    82  15.00000 -1.0 2.0
   83    87    82    80  15.00000 -1.0 2.0
END
