* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    163    237     467
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02109   103.49807   -38.42435
    3     1 S   H    _H1_     3     1.02113    71.01515    66.97425
    4     1 S   H    _H2_     4     1.02125    42.38978  -141.48660
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.84139    97.55516  -158.11700
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.53151   108.62274  -159.99503
   38    33 S   CT   _C18    88     1.53890   107.18732    75.21932
   39    38 S   HC   _H40    89     1.08442   109.24560   -59.16396
   40    38 S   HC   _H41    90     1.08458   109.22537  -179.16070
   41    38 S   HC   _H42    91     1.08559   109.19627    60.82243
   42    37 S   CT   _C15    38     1.53595   118.12474    85.52886
   43    42 S   HC   _H36    39     1.09928   108.52808   154.04023
   44    37 S   CMA  _C14    75     1.34685   123.34146   -98.65852
   45    44 S   OM   _O24    76     1.26902   124.35392     4.20123
   46    42 S   CA   _C8_    40     1.49957   110.76754   -89.28411
   47    42 S   CM   _C10    53     1.52076   112.41544    35.09544
   48    44 S   OS   _O29    77     1.42143   109.84546  -175.69752
   49    46 S   CA   _C5_    41     1.39499   120.02139    92.15096
   50    49 S   HA   _H33    42     1.08714   120.44478    -0.03956
   51    47 S   CM   _C11    54     1.34881   121.77744   -17.37746
   52    47 S   CO4  _C13    61     1.47323   116.08308   159.62479
   53    52 S   O    _O26    62     1.21564   123.27124   122.96453
   54    48 S   CT   _C24    78     1.42772   115.97054   150.00064
   55    54 S   HC   _H56    79     1.09444   107.41013    40.01844
   56    49 S   CA   _C4_    43     1.39467   120.03356   179.95154
   57    56 S   HA   _H32    44     1.08622   120.04215   179.91377
   58    33 S   NE   _N22    55     1.45869   108.59696   -40.31120
   59    58 S   H    _H57    56     1.01594   116.98224    71.98095
   60    51 S   CT   _C17    57     1.50832   124.44929  -178.80843
   61    60 S   HC   _H37    58     1.08508   109.10353    90.00093
   62    60 S   HC   _H38    59     1.08598   109.13366   -30.17812
   63    60 S   HC   _H39    60     1.08548   109.09464  -149.85713
   64    52 S   OS   _O28    63     1.35479   108.34301   -57.02252
   65    54 S   CT   _C19    80     1.52157   109.17744   158.63978
   66    65 S   HC   _H43    81     1.09464   111.26770    62.64833
   67    65 S   HC   _H44    82     1.09546   110.34304  -176.72882
   68    65 S   HC   _H45    83     1.09475   111.12885   -58.59538
   69    54 S   CT   _C20    84     1.52066   109.19959   -78.72386
   70    69 S   HC   _H46    85     1.09371   111.33933   -62.60294
   71    69 S   HC   _H47    86     1.09532   110.32769   176.67804
   72    69 S   HC   _H48    87     1.09591   111.08798    58.62070
   73    56 S   CA   _C6_    45     1.39497   120.00893     0.00000
   74    73 S   HA   _H34    46     1.08624   119.26942   179.94405
   75    64 S   CT   _C22    64     1.43139   115.04908  -179.97202
   76    75 S   HC   _H52    65     1.09455   108.11765   -59.03993
   77    75 S   HC   _H53    66     1.09435   108.25921    59.69811
   78    73 S   CA   _C9_    47     1.39534   119.99601    -0.03426
   79    75 S   CT   _C23    67     1.51567   109.07469   180.00000
   80    79 S   HC   _H54    68     1.09458   111.16155   -59.96933
   81    79 S   HC   _H55    69     1.09355   110.51636   177.99895
   82    46 S   CA   _C7_    48     1.39497   120.02109   -87.87073
   83    82 S   HA   _H35    49     1.08843   119.73543    -0.01978
   84    78 S   NO2  _N23    50     1.41931   120.00460   179.95154
   85    84 S   ON   _O25    51     1.25542   118.98197   179.96044
   86    84 S   ON   _O27    52     1.25434   119.01278     0.01978
   87    79 S   OS   _O30    70     1.42221   109.04641    59.11204
   88    87 S   CT   _C21    71     1.42086   111.53848   179.03836
   89    88 S   HC   _H49    72     1.09296   109.55131  -179.97202
   90    88 S   HC   _H50    73     1.09294   109.50577    59.15601
   91    88 S   HC   _H51    74     1.09323   108.95797   -60.35929
  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  18   7   9   2  12  13  10
   8   4   9   8   2   9   8   6   3   5   1   3   2   1   1   7
   7   3   2   1   3   2   1   1   7   3   7   5   4   5   7   3
   2   4   1   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    58    59    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    58    59    60    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    82    47    51    58    59    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    58    59  
   40    41    58  
   41    58  
   58  
   43    46    49    50    56    78    82    83    47    51    58    60    52    53    64    44    45    48  
   46    49    82    47    51    52    44  
   45    48    54    55    65    69    46    47    58  
   48    54  
   49    50    56    57    73    78    82    83    84    47    51    52  
   51    58    59    60    61    62    63    52    53    64    75    49    82  
   54    55    65    66    67    68    69    70    71    72  
   50    56    57    73    74    78    82    83  
   56    57    73    82  
   58    59    60    61    62    63    52    53    64  
   53    64    75    76    77    79    58    60  
   64    75  
   55    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   57    73    74    78    82    84  
   73    74    78  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    0  
   75    76    77    79    80    81    87  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    78    82    83    84    85    86  
   78    82    84  
   76    77    79    80    81    87    88  
   77    79    80    81    87  
   79    80    81    87  
   82    83    84    85    86  
   80    81    87    88    89    90    91  
   81    87    88  
   87    88  
   83    84    85    86  
   84  
   85    86  
   86  
    0  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.402800   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  -0.601200   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   85   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   86   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   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    58   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    82   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    82   469.000  1.400
   78    84   400.000  1.460
   82    83   367.000  1.080
   84    85   550.000  1.225
   84    86   550.000  1.225
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    58   425.000  1.378
   51    60   317.000  1.510
   58    59   434.000  1.010
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    53   570.000  1.229
   52    64   214.000  1.327
   64    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    87   320.000  1.410
   87    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    65   268.000  1.529
   54    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    58    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    58    51    50.00000  121.00000
   33    58    59    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    82    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   46    82    78    63.00000  120.00000
   46    82    83    35.00000  120.00000
   49    56    57    35.00000  120.00000
   49    56    73    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    73    74    35.00000  120.00000
   56    73    78    63.00000  120.00000
   73    56    57    35.00000  120.00000
   73    78    82    63.00000  120.00000
   73    78    84    85.00000  120.00000
   78    73    74    35.00000  120.00000
   78    82    83    35.00000  120.00000
   78    84    85    80.00000  117.50000
   78    84    86    80.00000  117.50000
   82    46    49    63.00000  120.00000
   84    78    82    85.00000  120.00000
   86    84    85    80.00000  125.30000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    58    70.00000  124.03900
   47    51    60    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    64    90.00000  111.29400
   51    58    59    35.00000  114.50000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   58    33    37    80.00000  112.42400
   60    51    58    75.00000  116.24600
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    64    75    83.00000  116.90000
   64    52    53    83.00000  123.40000
   64    75    76    35.00000  109.50000
   64    75    77    35.00000  109.50000
   64    75    79    50.00000  109.50000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    87    50.00000  109.50000
   77    75    76    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    37.50000  110.70000
   79    87    88    60.00000  109.50000
   81    79    80    33.00000  107.80000
   87    79    80    35.00000  109.50000
   87    79    81    35.00000  109.50000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    65    50.00000  109.50000
   48    54    69    50.00000  109.50000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   54    69    70    37.50000  110.70000
   54    69    71    37.50000  110.70000
   54    69    72    37.50000  110.70000
   65    54    55    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    54    55    37.50000  110.70000
   69    54    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    58    80.00000  111.61500
   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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    58    51  -0.12500  1.0 1.0
   29    33    58    51  -0.12500 -1.0 2.0
   29    33    58    51   0.25000  1.0 3.0
   29    33    58    59  -0.12500  1.0 1.0
   29    33    58    59  -0.12500 -1.0 2.0
   29    33    58    59   0.25000  1.0 3.0
   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    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    58    51  -0.12500  1.0 1.0
   37    33    58    51  -0.12500 -1.0 2.0
   37    33    58    51   0.25000  1.0 3.0
   37    33    58    59  -0.12500  1.0 1.0
   37    33    58    59  -0.12500 -1.0 2.0
   37    33    58    59   0.25000  1.0 3.0
   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    49   0.18050 -1.0 2.0
   37    42    46    82   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    82    78   3.62500 -1.0 2.0
   42    46    82    83   3.62500 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    64  -0.15000  1.0 1.0
   42    47    52    64   0.89550 -1.0 2.0
   42    47    52    64  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    82   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49    56    73   3.62500 -1.0 2.0
   49    46    82    78   3.62500 -1.0 2.0
   49    46    82    83   3.62500 -1.0 2.0
   49    56    73    74   3.62500 -1.0 2.0
   49    56   -73    78   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    73   3.62500 -1.0 2.0
   56    73    78    82   3.62500 -1.0 2.0
   56    73    78    84   3.62500 -1.0 2.0
   57    56    73    74   3.62500 -1.0 2.0
   57    56    73    78   3.62500 -1.0 2.0
   73    78   -82    46   3.62500 -1.0 2.0
   73    78    82    83   3.62500 -1.0 2.0
   73    78    84    85   0.69950 -1.0 2.0
   73    78    84    86   0.69950 -1.0 2.0
   74    73    78    82   3.62500 -1.0 2.0
   74    73    78    84   3.62500 -1.0 2.0
   82    46    49    50   3.62500 -1.0 2.0
   82    46   -49    56   3.62500 -1.0 2.0
   82    78    84    85   0.69950 -1.0 2.0
   82    78    84    86   0.69950 -1.0 2.0
   84    78    82    46   3.62500 -1.0 2.0
   84    78    82    83   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    82   0.18050 -1.0 2.0
   47    51   -58    33  -0.54700  1.0 1.0
   47    51   -58    33   1.23000 -1.0 2.0
   47    51    58    59   1.00000 -1.0 2.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.00000  1.0 1.0
   47    51    60    63   0.00000  1.0 1.0
   47    52    64    75   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    64  -0.56150  1.0 1.0
   51    47    52    64   2.19150 -1.0 2.0
   58    33   -37    42   0.09700  1.0 1.0
   58    33   -37    42   0.15600 -1.0 2.0
   58    33   -37    42  -0.50800  1.0 3.0
   58    33    37    44   0.62150  1.0 1.0
   58    33    37    44   0.42850 -1.0 2.0
   58    33    37    44  -0.68200  1.0 3.0
   58    33    38    39   0.22950  1.0 3.0
   58    33    38    40   0.22950  1.0 3.0
   58    33    38    41   0.22950  1.0 3.0
   58    51    60    61  -0.18050  1.0 3.0
   58    51    60    62  -0.18050  1.0 3.0
   58    51    60    63  -0.18050  1.0 3.0
   60    51    58    33   1.00000 -1.0 2.0
   60    51    58    59   2.40850 -1.0 2.0
   52    47    51    58   7.00000 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    64    75    76   0.08050  1.0 3.0
   52    64    75    77   0.08050  1.0 3.0
   52    64    75    79  -0.25900  1.0 1.0
   52    64    75    79  -0.47000 -1.0 2.0
   52    64    75    79   0.11750  1.0 3.0
   53    52    64    75   3.00000 -1.0 2.0
   64    75    79    80   0.23400  1.0 3.0
   64    75    79    81   0.23400  1.0 3.0
   64    75    79    87   1.11900  1.0 1.0
   64    75    79    87  -1.16350 -1.0 2.0
   64    75    79    87  -0.34150  1.0 3.0
   75    79    87    88   0.06250  1.0 1.0
   75    79    87    88  -0.01100 -1.0 2.0
   75    79    87    88   0.28050  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    87   0.23400  1.0 3.0
   77    75    79    80   0.15000  1.0 3.0
   77    75    79    81   0.15000  1.0 3.0
   77    75    79    87   0.23400  1.0 3.0
   79    87    88    89   0.37050  1.0 3.0
   79    87    88    90   0.37050  1.0 3.0
   79    87    88    91   0.37050  1.0 3.0
   80    79    87    88   0.37050  1.0 3.0
   81    79    87    88   0.37050  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    65  -0.46850  1.0 1.0
   44    48    54    65   0.09300 -1.0 2.0
   44    48    54    65  -0.12850  1.0 3.0
   44    48    54    69  -0.46850  1.0 1.0
   44    48    54    69   0.09300 -1.0 2.0
   44    48    54    69  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    65    66   0.23400  1.0 3.0
   48    54    65    67   0.23400  1.0 3.0
   48    54    65    68   0.23400  1.0 3.0
   48    54    69    70   0.23400  1.0 3.0
   48    54    69    71   0.23400  1.0 3.0
   48    54    69    72   0.23400  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   55    54    69    71   0.15000  1.0 3.0
   55    54    69    72   0.15000  1.0 3.0
   65    54    69    70   0.15000  1.0 3.0
   65    54    69    71   0.15000  1.0 3.0
   65    54    69    72   0.15000  1.0 3.0
   69    54    65    66   0.15000  1.0 3.0
   69    54    65    67   0.15000  1.0 3.0
   69    54    65    68   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    58    51   0.25450  1.0 1.0
   38    33    58    51  -0.61700 -1.0 2.0
   38    33    58    51  -0.23550  1.0 3.0
   38    33    58    59   0.00000  1.0 1.0
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    44   1.10000 -1.0 2.0
   49    82    46    42   4.00000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   73    57    56    49   1.10000 -1.0 2.0
   78    74    73    56   1.10000 -1.0 2.0
   82    84    78    73   4.00000 -1.0 2.0
   78    83    82    46   1.10000 -1.0 2.0
   86    78    84    85  10.50000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   60    58    51    47   1.10000 -1.0 2.0
   59    51    58    33   1.00000 -1.0 2.0
   47    64    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
