* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    166    244     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   102.50180    13.26394
    3     1 S   H    _H1_     3     1.02103    40.67130   117.49636
    4     1 S   H    _H2_     4     1.02161    73.25535   -92.74987
    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     1.08491   110.56590    58.77998
   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     1.84419    97.46023  -178.14776
   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   CT   _C15    37     1.55190   113.47850  -160.02415
   38    37 S   HC   _H37    38     1.10096   107.23499  -169.84975
   39    33 S   CT   _C18    89     1.53610   107.20740    76.96219
   40    39 S   HC   _H41    90     1.08624   109.39263   -55.44788
   41    39 S   HC   _H42    91     1.08611   109.42147  -175.45938
   42    39 S   HC   _H43    92     1.08566   109.43471    64.46945
   43    37 S   CT   _C14    39     1.56068   113.27025    70.86229
   44    43 S   HC   _H36    40     1.11448   109.18664   -80.39929
   45    37 S   CO4  _C13    75     1.50742   111.96266   -54.76332
   46    45 S   O    _O26    76     1.22365   124.03152    93.73411
   47    43 S   CA   _C8_    41     1.53004   109.34308   164.51748
   48    43 S   CM   _C10    54     1.52754   112.37928    38.51749
   49    45 S   OS   _O29    77     1.36314   109.56081   -86.23520
   50    47 S   CA   _C5_    42     1.39526   120.01744   117.36432
   51    50 S   HA   _H33    43     1.08636   120.42300     0.02798
   52    48 S   CM   _C11    55     1.35199   121.95082   -10.65712
   53    48 S   CO4  _C12    62     1.47455   117.42996   172.83243
   54    53 S   O    _O25    63     1.21587   123.26789    86.63426
   55    49 S   CT   _C22    78     1.43152   115.44542  -180.00000
   56    55 S   HC   _H53    79     1.09477   108.11414   -59.07934
   57    55 S   HC   _H54    80     1.09389   108.28278    59.68572
   58    50 S   CA   _C4_    44     1.39465   120.04536   179.92087
   59    58 S   HA   _H32    45     1.08553   119.99082   179.91844
   60    33 S   NE   _N22    56     1.45762   108.86861   -39.79781
   61    60 S   H    _H58    57     1.01632   117.63049    77.68450
   62    52 S   CT   _C17    58     1.50640   124.46421   176.73811
   63    62 S   HC   _H38    59     1.08532   109.13393    90.00726
   64    62 S   HC   _H39    60     1.08554   109.20585   -30.13998
   65    62 S   HC   _H40    61     1.08545   109.17368  -149.80263
   66    53 S   OS   _O28    64     1.35440   108.31649   -93.46086
   67    55 S   CT   _C23    81     1.51678   109.05256   179.98022
   68    67 S   HC   _H55    82     1.09465   111.14194   179.98022
   69    67 S   HC   _H56    83     1.09424   110.46512    57.96287
   70    58 S   CA   _C6_    46     1.39486   119.96328     0.05595
   71    70 S   HA   _H34    47     1.08747   119.23371  -180.00000
   72    66 S   CT   _C24    65     1.43108   115.00489  -179.95154
   73    72 S   HC   _H57    66     1.09551   107.41198    30.02303
   74    67 S   OS   _O30    84     1.42200   109.02958   -60.89039
   75    70 S   CA   _C9_    48     1.39522   120.03776    -0.09279
   76    72 S   CT   _C19    67     1.52104   109.20679   148.68545
   77    76 S   HC   _H44    68     1.09352   111.27426    62.65239
   78    76 S   HC   _H45    69     1.09527   110.33731  -176.69832
   79    76 S   HC   _H46    70     1.09536   111.12275   -58.61578
   80    72 S   CT   _C20    71     1.52165   109.22138   -88.66324
   81    80 S   HC   _H47    72     1.09335   111.29617   -62.60736
   82    80 S   HC   _H48    73     1.09500   110.30768   176.65654
   83    80 S   HC   _H49    74     1.09594   111.05560    58.60536
   84    74 S   CT   _C21    85     1.42111   111.50426   179.06038
   85    84 S   HC   _H50    86     1.09258   109.52182   179.98022
   86    84 S   HC   _H51    87     1.09262   109.53859    59.13416
   87    84 S   HC   _H52    88     1.09231   108.92611   -60.45130
   88    47 S   CA   _C7_    49     1.39491   119.99972   -62.70550
   89    88 S   HA   _H35    50     1.08728   119.75338     0.04846
   90    75 S   NO2  _N23    51     1.41949   119.98958   179.93147
   91    90 S   ON   _O24    52     1.25495   118.97240   179.97202
   92    90 S   ON   _O27    53     1.25449   119.00454     0.07402
  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
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  12  13
   7   8   4   9   8   2   7   5   4   6   3   5   1   3   2   1
   1  10   7   3   2   7   3   9   8   4   5   7   3   2   1   3
   2   1   1   3   2   1   1   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    88    48    52    60    61    53    45    46    49    55    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    75    88    89    48    52    60    62    53    54    66    45    46    49  
   47    50    88    48    52    53    45  
   46    49    55    56    57    67    47    48    60  
   49    55  
   50    51    58    59    70    75    88    89    90    48    52    53  
   52    60    61    62    63    64    65    53    54    66    72    50    88  
   55    56    57    67    68    69    74  
   51    58    59    70    71    75    88    89  
   58    59    70    88  
   60    61    62    63    64    65    53    54    66  
   54    66    72    73    76    80    60    62  
   66    72  
   56    57    67    68    69    74    84  
   57    67    68    69    74  
   67    68    69    74  
   59    70    71    75    88    90  
   70    71    75  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   72    73    76    77    78    79    80    81    82    83  
   68    69    74    84    85    86    87  
   69    74    84  
   74    84  
   71    75    88    89    90    91    92  
   75    88    90  
   73    76    77    78    79    80    81    82    83  
   76    77    78    79    80    81    82    83  
   84    85    86    87  
   88    89    90    91    92  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92  
   90  
   91    92  
   92  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   91   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   92   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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   268.000  1.529
   33    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    88   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    70   469.000  1.400
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    88   469.000  1.400
   75    90   400.000  1.460
   88    89   367.000  1.080
   90    91   550.000  1.225
   90    92   550.000  1.225
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   320.000  1.410
   74    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    88    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    88    75    63.00000  120.00000
   47    88    89    35.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    70    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    70    71    35.00000  120.00000
   58    70    75    63.00000  120.00000
   70    58    59    35.00000  120.00000
   70    75    88    63.00000  120.00000
   70    75    90    85.00000  120.00000
   75    70    71    35.00000  120.00000
   75    88    89    35.00000  120.00000
   75    90    91    80.00000  117.50000
   75    90    92    80.00000  117.50000
   88    47    50    63.00000  120.00000
   90    75    88    85.00000  120.00000
   92    90    91    80.00000  125.30000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    66    72    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    72    73    35.00000  109.50000
   66    72    76    50.00000  109.50000
   66    72    80    50.00000  109.50000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   76    72    73    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    72    73    37.50000  110.70000
   80    72    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    67    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    74    50.00000  109.50000
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   67    74    84    60.00000  109.50000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  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    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    88   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    88    75   3.62500 -1.0 2.0
   43    47    88    89   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    88   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    70   3.62500 -1.0 2.0
   50    47    88    75   3.62500 -1.0 2.0
   50    47    88    89   3.62500 -1.0 2.0
   50    58    70    71   3.62500 -1.0 2.0
   50    58   -70    75   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    70   3.62500 -1.0 2.0
   58    70    75    88   3.62500 -1.0 2.0
   58    70    75    90   3.62500 -1.0 2.0
   59    58    70    71   3.62500 -1.0 2.0
   59    58    70    75   3.62500 -1.0 2.0
   70    75   -88    47   3.62500 -1.0 2.0
   70    75    88    89   3.62500 -1.0 2.0
   70    75    90    91   0.69950 -1.0 2.0
   70    75    90    92   0.69950 -1.0 2.0
   71    70    75    88   3.62500 -1.0 2.0
   71    70    75    90   3.62500 -1.0 2.0
   88    47    50    51   3.62500 -1.0 2.0
   88    47   -50    58   3.62500 -1.0 2.0
   88    75    90    91   0.69950 -1.0 2.0
   88    75    90    92   0.69950 -1.0 2.0
   90    75    88    47   3.62500 -1.0 2.0
   90    75    88    89   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    88   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   48    53    66    72   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    66    72    73   0.08050  1.0 3.0
   53    66    72    76  -0.25900  1.0 1.0
   53    66    72    76  -0.47000 -1.0 2.0
   53    66    72    76   0.11750  1.0 3.0
   53    66    72    80  -0.25900  1.0 1.0
   53    66    72    80  -0.47000 -1.0 2.0
   53    66    72    80   0.11750  1.0 3.0
   54    53    66    72   3.00000 -1.0 2.0
   66    72    76    77   0.23400  1.0 3.0
   66    72    76    78   0.23400  1.0 3.0
   66    72    76    79   0.23400  1.0 3.0
   66    72    80    81   0.23400  1.0 3.0
   66    72    80    82   0.23400  1.0 3.0
   66    72    80    83   0.23400  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    82   0.15000  1.0 3.0
   73    72    80    83   0.15000  1.0 3.0
   76    72    80    81   0.15000  1.0 3.0
   76    72    80    82   0.15000  1.0 3.0
   76    72    80    83   0.15000  1.0 3.0
   80    72    76    77   0.15000  1.0 3.0
   80    72    76    78   0.15000  1.0 3.0
   80    72    76    79   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    67  -0.25900  1.0 1.0
   45    49    55    67  -0.47000 -1.0 2.0
   45    49    55    67   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    74   1.11900  1.0 1.0
   49    55    67    74  -1.16350 -1.0 2.0
   49    55    67    74  -0.34150  1.0 3.0
   55    67    74    84   0.06250  1.0 1.0
   55    67    74    84  -0.01100 -1.0 2.0
   55    67    74    84   0.28050  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    74   0.23400  1.0 3.0
   57    55    67    68   0.15000  1.0 3.0
   57    55    67    69   0.15000  1.0 3.0
   57    55    67    74   0.23400  1.0 3.0
   67    74    84    85   0.37050  1.0 3.0
   67    74    84    86   0.37050  1.0 3.0
   67    74    84    87   0.37050  1.0 3.0
   68    67    74    84   0.37050  1.0 3.0
   69    67    74    84   0.37050  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   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
   50    88    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   70    59    58    50   1.10000 -1.0 2.0
   75    71    70    58   1.10000 -1.0 2.0
   88    90    75    70   4.00000 -1.0 2.0
   75    89    88    47   1.10000 -1.0 2.0
   92    75    90    91  10.50000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
