* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    160    232     458
    1     0 S   NP   _N1_     1    28.91805    96.18450   -17.00873
    2     1 S   H    _HN1     2     1.02779    64.42109  -103.55467
    3     1 S   H    _H1_     3     1.02959    82.26242    11.07382
    4     1 S   H    _H2_     4     1.02836    60.93889   125.45900
    5     1 S   CT   _CA1     5     1.50056   167.00250   178.27603
    6     5 S   HC   _HA1     6     1.09588   105.23358    10.73786
    7     5 S   CO3  _C1_     7     1.53812   112.68758  -109.31302
    8     7 S   O2Z  _O11     8     1.26337   115.02032   -40.95078
    9     7 S   O2Z  _O12     9     1.26291   114.90808   138.60343
   10     5 S   CT   _CB1    10     1.53155   107.47272   128.51399
   11    10 S   HC   HB11    11     1.09801   109.22065   -53.47586
   12    10 S   HC   HB12    12     1.09812   110.47390    63.10654
   13    10 S   CT   _CG1    13     1.52849   112.49166  -174.78417
   14    13 S   HC   HG11    14     1.09595   110.09780   -65.31204
   15    13 S   HC   HG12    15     1.09659   110.08706    53.66673
   16    13 S   C    _CD1    16     1.51754   112.88386   174.03139
   17    16 S   O    _OE1    17     1.22653   123.54977    -9.18263
   18    16 S   N    _N2_    18     1.38365   111.09935   171.43108
   19    18 S   H    _HN2    19     1.01668   118.70579     3.06139
   20    18 S   CT1  _CA2    20     1.46186   124.10427   176.96256
   21    20 S   HC   _HA2    21     1.09671   109.71658    10.61354
   22    20 S   C    _C2_    22     1.53514   105.21128  -104.43340
   23    22 S   O    _O2_    23     1.23180   122.46026    10.66288
   24    20 S   CT   _CB2    32     1.53476   110.33309   133.06757
   25    24 S   HC   HB21    33     1.09242   110.24204    62.12856
   26    24 S   HC   HB22    34     1.09391   110.96960  -179.83214
   27    22 S   N    _N3_    24     1.38397   114.48328  -172.12211
   28    27 S   H    _HN3    25     1.01413   120.65897    -0.88779
   29    24 S   S    _SG2    35     1.83290   110.50005   -62.07283
   30    27 S   CT   _CA3    26     1.45526   121.76826   178.84445
   31    30 S   HC   HA31    27     1.09576   108.66733    46.43758
   32    30 S   HC   HA32    28     1.09501   107.51082   163.05159
   33    29 S   CT   _C9_    36     1.86991   102.02571   127.83059
   34    30 S   CO3  _C3_    29     1.52934   112.49554   -75.92101
   35    34 S   O2Z  _O31    30     1.26311   115.05812   -78.66129
   36    34 S   O2Z  _O32    31     1.26460   115.34404   101.06335
   37    33 S   CM   _C10    37     1.55239   111.89722    60.20708
   38    33 S   CT   _C20    86     1.54371   106.66826  -176.63012
   39    38 S   HC   _H17    87     1.09810   111.46807    60.96324
   40    38 S   HC   _H18    88     1.09373   113.67120   -60.10048
   41    38 S   HC   _H19    89     1.09485   111.11752   179.10343
   42    37 S   CT   _C13    38     1.56368   117.57295  -123.87690
   43    42 S   HC   _H3_    39     1.09764   104.13680   126.99059
   44    37 S   CMA  _C11    79     1.37993   123.69692    55.22326
   45    44 S   OM   _O35    80     1.27041   125.27666  -176.46133
   46    42 S   CA   _C14    40     1.53858   113.02048  -113.88162
   47    42 S   CM   _C7_    51     1.51235   115.48739    13.01199
   48    44 S   OS   _O36    81     1.41555   112.63373     2.35966
   49    46 S   CA   _C15    41     1.40872   119.28162    57.81002
   50    49 S   HA   _H13    42     1.08550   120.41879     0.15066
   51    47 S   CM   _C8_    52     1.34247   123.29374   -12.58724
   52    47 S   CO4  _C6_    69     1.48101   117.12086   166.06660
   53    52 S   O    _O34    70     1.22094   124.24194   108.09694
   54    48 S   CT   _C12    82     1.42727   115.13484   147.06323
   55    54 S   HC   _H10    83     1.09404   107.71370  -171.68228
   56    54 S   HC   _H11    84     1.09476   111.04078    70.43020
   57    54 S   HC   _H12    85     1.09533   111.09117   -53.59060
   58    49 S   CA   _C16    43     1.39606   121.46835   179.43733
   59    58 S   HA   _H14    44     1.08618   119.90706   179.70459
   60    33 S   NE   _N4_    53     1.45884   105.87438   -64.32819
   61    60 S   H    _H9_    54     1.01599   115.55549   -53.87571
   62    51 S   CT   _C21    55     1.51124   123.33581   179.89532
   63    62 S   HC   _H20    56     1.09610   111.42182   158.09378
   64    62 S   HC   _H21    57     1.09554   111.23362    39.14087
   65    52 S   OS   _O33    71     1.35805   108.37806   -71.80863
   66    58 S   CA   _C17    45     1.38960   120.01051    -0.56855
   67    66 S   HA   _H15    46     1.08595   120.13628  -179.95577
   68    62 S   OS   _O37    58     1.42724   107.33816   -83.04977
   69    65 S   CT   _C5_    72     1.43418   115.10245   177.40241
   70    69 S   HC   _H7_    73     1.09565   109.70669   -56.32538
   71    69 S   HC   _H8_    74     1.09544   109.36134    63.91736
   72    66 S   CA   _C18    47     1.39239   119.76833    -0.49929
   73    72 S   HA   _H16    48     1.08739   118.94195  -179.21690
   74    68 S   CT   _C22    59     1.42624   112.66805   154.90559
   75    74 S   HC   _H22    60     1.09533   109.22785    63.13655
   76    74 S   HC   _H23    61     1.09637   109.95797   -56.58081
   77    69 S   CT   _C4_    75     1.51495   108.28629  -176.19234
   78    77 S   HC   _H4_    76     1.09408   110.55035   -59.91040
   79    77 S   HC   _H5_    77     1.09498   110.65356    58.35733
   80    77 S   HC   _H6_    78     1.09346   110.92065   179.34688
   81    46 S   CA   _C19    49     1.40975   123.09094  -124.50286
   82    81 S   Cl   Cl1_    50     1.73087   122.66101    -0.40300
   83    74 S   CT   _C23    62     1.52006   108.28719  -177.05523
   84    83 S   HC   _H24    63     1.09281   111.47423   -56.05531
   85    83 S   HC   _H25    64     1.09290   112.22023   179.82529
   86    83 S   NP   _N5_    65     1.48484   108.95050    61.18779
   87    86 S   H    _H26    66     1.02984   110.96750   -52.55974
   88    86 S   H    _H27    67     1.03280   112.44830  -170.68388
   89    86 S   H    _H28    68     1.02728   112.50661    67.90270
  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   4
   8   4  10   8   2   3   2   1   1   6   3   5   1   7   3   2
   7   5   3   7   6   5   4   3   2   9   5   4   3   2   1   1
   1   1   6   5   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    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    60    61    62    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    81    47    51    60    61    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    58    72    81    82    47    51    60    62    52    53    65    44    45    48  
   46    49    81    47    51    52    44  
   45    48    54    55    56    57    46    47    60  
   48    54  
   49    50    58    59    66    72    73    81    82    47    51    52  
   51    60    61    62    63    64    68    52    53    65    69    49    81  
   54    55    56    57  
   50    58    59    66    67    72    81    82  
   58    59    66    81  
   60    61    62    63    64    68    74    52    53    65  
   53    65    69    70    71    77    60    62  
   65    69  
   55    56    57  
   56    57  
   57  
    0  
   59    66    67    72    73    81  
   66    67    72  
   61    62    63    64    68  
   62  
   63    64    68    74    75    76    83  
   64    68    74  
   68    74  
   69    70    71    77    78    79    80  
   67    72    73    81    82  
   72    73    81  
   74    75    76    83    84    85    86  
   70    71    77    78    79    80  
   71    77    78    79    80  
   77    78    79    80  
   73    81    82  
   81    82  
   75    76    83    84    85    86    87    88    89  
   76    83    84    85    86  
   83    84    85    86  
   78    79    80  
   79    80  
   80  
    0  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.051000   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   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   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   83   3.5000   0.0660  -0.034400   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   87   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   89   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
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    60   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    81   469.000  1.400
   49    50   367.000  1.080
   49    58   469.000  1.400
   58    59   367.000  1.080
   58    66   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    81   469.000  1.400
   81    82   300.000  1.725
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    60   425.000  1.378
   51    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   320.000  1.410
   68    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   367.000  1.471
   86    87   434.000  1.010
   86    88   434.000  1.010
   86    89   434.000  1.010
   52    53   570.000  1.229
   52    65   214.000  1.327
   65    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    56   340.000  1.090
   54    57   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    60    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    60    51    50.00000  121.00000
   33    60    61    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    81    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    58    63.00000  120.00000
   46    81    72    63.00000  120.00000
   46    81    82    75.00000  120.00000
   49    58    59    35.00000  120.00000
   49    58    66    63.00000  120.00000
   58    49    50    35.00000  120.00000
   58    66    67    35.00000  120.00000
   58    66    72    63.00000  120.00000
   66    58    59    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    81    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    81    82    75.00000  120.00000
   81    46    49    63.00000  120.00000
   81    72    73    35.00000  120.00000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    60    70.00000  124.03900
   47    51    62    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    65    90.00000  111.29400
   51    60    61    35.00000  114.50000
   51    62    63    35.00000  109.50000
   51    62    64    35.00000  109.50000
   51    62    68    85.00000  110.90400
   60    33    37    80.00000  112.42400
   62    51    60    75.00000  116.24600
   62    68    74    60.00000  109.50000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    83    50.00000  109.50000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    80.00000  111.20000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   88    86    87    35.00000  109.50000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   52    47    51    65.00000  118.96000
   52    65    69    83.00000  116.90000
   65    52    53    83.00000  123.40000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    77    50.00000  109.50000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    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    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    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    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   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    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    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   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    81   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    58   3.62500 -1.0 2.0
   42    46    81    72   3.62500 -1.0 2.0
   42    46    81    82   3.62500 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    51    62   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    65  -0.15000  1.0 1.0
   42    47    52    65   0.89550 -1.0 2.0
   42    47    52    65  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    81   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    58    59   3.62500 -1.0 2.0
   46    49    58    66   3.62500 -1.0 2.0
   49    46    81    72   3.62500 -1.0 2.0
   49    46    81    82   3.62500 -1.0 2.0
   49    58    66    67   3.62500 -1.0 2.0
   49    58   -66    72   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    49    58    66   3.62500 -1.0 2.0
   58    66    72    73   3.62500 -1.0 2.0
   58    66    72    81   3.62500 -1.0 2.0
   59    58    66    67   3.62500 -1.0 2.0
   59    58    66    72   3.62500 -1.0 2.0
   66    72   -81    46   3.62500 -1.0 2.0
   66    72    81    82   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    81   3.62500 -1.0 2.0
   73    72    81    46   3.62500 -1.0 2.0
   73    72    81    82   3.62500 -1.0 2.0
   81    46    49    50   3.62500 -1.0 2.0
   81    46   -49    58   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    81   0.18050 -1.0 2.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   47    51    62    63   0.00000  1.0 1.0
   47    51    62    64   0.00000  1.0 1.0
   47    51    62    68   0.39000  1.0 1.0
   47    51    62    68  -0.05800 -1.0 2.0
   47    51    62    68  -0.55150  1.0 3.0
   47    52    65    69   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    65  -0.56150  1.0 1.0
   51    47    52    65   2.19150 -1.0 2.0
   51    62    68    74  -0.77900  1.0 1.0
   51    62    68    74  -0.36900 -1.0 2.0
   51    62    68    74   0.40400  1.0 3.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    62    63  -0.18050  1.0 3.0
   60    51    62    64  -0.18050  1.0 3.0
   60    51    62    68   0.09700  1.0 1.0
   60    51    62    68   0.15600 -1.0 2.0
   60    51    62    68  -0.50800  1.0 3.0
   62    51    60    33   1.00000 -1.0 2.0
   62    51    60    61   2.40850 -1.0 2.0
   62    68    74    75   0.37050  1.0 3.0
   62    68    74    76   0.37050  1.0 3.0
   62    68    74    83   0.06250  1.0 1.0
   62    68    74    83  -0.01100 -1.0 2.0
   62    68    74    83   0.28050  1.0 3.0
   63    62    68    74   0.37050  1.0 3.0
   64    62    68    74   0.37050  1.0 3.0
   68    74    83    84   0.23400  1.0 3.0
   68    74    83    85   0.23400  1.0 3.0
   68    74    83    86   1.69300  1.0 1.0
   68    74    83    86  -0.48450 -1.0 2.0
   74    83    86    87   0.17350  1.0 3.0
   74    83    86    88   0.17350  1.0 3.0
   74    83    86    89   0.17350  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.19200  1.0 3.0
   76    74    83    84   0.15000  1.0 3.0
   76    74    83    85   0.15000  1.0 3.0
   76    74    83    86   0.19200  1.0 3.0
   84    83    86    87   0.13050  1.0 3.0
   84    83    86    88   0.13050  1.0 3.0
   84    83    86    89   0.13050  1.0 3.0
   85    83    86    87   0.13050  1.0 3.0
   85    83    86    88   0.13050  1.0 3.0
   85    83    86    89   0.13050  1.0 3.0
   52    47    51    60   7.00000 -1.0 2.0
   52    47    51    62   7.00000 -1.0 2.0
   52    65    69    70   0.08050  1.0 3.0
   52    65    69    71   0.08050  1.0 3.0
   52    65    69    77  -0.25900  1.0 1.0
   52    65    69    77  -0.47000 -1.0 2.0
   52    65    69    77   0.11750  1.0 3.0
   53    52    65    69   3.00000 -1.0 2.0
   65    69    77    78   0.23400  1.0 3.0
   65    69    77    79   0.23400  1.0 3.0
   65    69    77    80   0.23400  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    80   0.15000  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    56   0.08050  1.0 3.0
   44    48    54    57   0.08050  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   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    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    81    46    42   4.00000 -1.0 2.0
   58    50    49    46   1.10000 -1.0 2.0
   66    59    58    49   1.10000 -1.0 2.0
   72    67    66    58   1.10000 -1.0 2.0
   81    73    72    66   1.10000 -1.0 2.0
   72    82    81    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   62    60    51    47   1.10000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   47    65    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
