* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    156    226     454
    1     0 S   NP   _N1_     1    28.76791    96.54845   -19.59887
    2     1 S   H    _HN1     2     1.02844    46.29566   147.09910
    3     1 S   H    _H1_     3     1.02787    78.13550   -83.56389
    4     1 S   H    _H2_     4     1.02958    84.04252    26.56876
    5     1 S   CT   _CA1     5     1.50075   156.80321   157.08001
    6     5 S   HC   _HA1     6     1.09578   105.27178    51.46579
    7     5 S   CO3  _C1_     7     1.53765   112.36381   -68.78297
    8     7 S   O2Z  _O11     8     1.26348   115.04978   -47.09798
    9     7 S   O2Z  _O12     9     1.26237   114.90359   132.30891
   10     5 S   CT   _CB1    10     1.53112   107.46094   169.30688
   11    10 S   HC   HB11    11     1.09820   109.33674   -51.90370
   12    10 S   HC   HB12    12     1.09820   110.43720    64.64383
   13    10 S   CT   _CG1    13     1.52991   112.61332  -173.05482
   14    13 S   HC   HG11    14     1.09542   110.32062   -62.87875
   15    13 S   HC   HG12    15     1.09641   110.06748    56.31970
   16    13 S   C    _CD1    16     1.51772   112.37642   176.74532
   17    16 S   O    _OE1    17     1.22708   123.23635    -5.03602
   18    16 S   N    _N2_    18     1.38623   111.60555   175.29414
   19    18 S   H    _HN2    19     1.01582   119.05147     1.48161
   20    18 S   CT1  _CA2    20     1.46221   123.39460  -179.63203
   21    20 S   HC   _HA2    21     1.09731   109.44577    -8.27787
   22    20 S   C    _C2_    22     1.53439   108.25765  -123.93446
   23    22 S   O    _O2_    23     1.23016   122.26271  -144.62943
   24    20 S   CT   _CB2    32     1.53338   111.44691   113.82762
   25    24 S   HC   HB21    33     1.09498   109.82859    55.82391
   26    24 S   HC   HB22    34     1.09532   110.27234   174.66902
   27    22 S   N    _N3_    24     1.38514   113.38674    42.61573
   28    27 S   H    _HN3    25     1.01515   118.94311    -0.49297
   29    24 S   S    _SG2    35     1.82679   111.73310   -65.72289
   30    27 S   CT   _CA3    26     1.45460   123.47777   175.20641
   31    30 S   HC   HA31    27     1.09520   109.29613    23.33900
   32    30 S   HC   HA32    28     1.09498   107.10672   140.34908
   33    29 S   CT   _C8_    36     1.84420    99.30737   175.40940
   34    33 S   HC   _H3_    37     1.09538   107.24622    37.02634
   35    30 S   CO3  _C3_    29     1.52924   113.06907  -100.18141
   36    35 S   O2Z  _O31    30     1.26406   115.37866   -44.96869
   37    35 S   O2Z  _O32    31     1.26351   114.99788   135.95350
   38    33 S   CM   _C4_    38     1.53148   109.20578   153.99137
   39    38 S   CT   _C7_    39     1.52566   115.29008    99.81632
   40    39 S   HC   _H24    40     1.09842   108.52902    90.79876
   41    39 S   HC   _H25    41     1.09728   110.62822  -152.02691
   42    38 S   CMA  _C5_    76     1.36793   122.89679   -83.42691
   43    42 S   OM   _O19    77     1.26957   125.35599  -178.28982
   44    39 S   CT   _C9_    42     1.53029   112.15225   -30.69226
   45    44 S   HC   _H27    43     1.09743   108.62919   -59.97644
   46    42 S   OS   _O21    78     1.41950   111.43030     2.87732
   47    44 S   CT   _C10    44     1.54408   111.44559    61.54354
   48    47 S   HC   _H28    45     1.09952   108.72920    85.61586
   49    44 S   NT   _N17    73     1.46845   110.19849  -176.30509
   50    49 S   H    _H49    74     1.01941   109.34938   177.71587
   51    49 S   H    _H50    75     1.01923   109.54057    61.26918
   52    46 S   CT   _C18    79     1.43073   114.71211  -144.04281
   53    52 S   HC   _H46    80     1.09580   110.06710   -71.91021
   54    52 S   HC   _H47    81     1.09652   110.52987    49.55250
   55    33 S   CT   _C11    46     1.54653   111.03535   -80.74648
   56    55 S   HC   _H29    47     1.09632   109.99477    51.12727
   57    47 S   N    _N18    65     1.46765   109.89400  -158.33067
   58    57 S   H    _H51    66     1.01579   117.83922    37.83431
   59    52 S   CT   _C15    82     1.51747   107.75596   168.83154
   60    59 S   HC   _H39    83     1.09520   110.55985   -59.19706
   61    59 S   HC   _H40    84     1.09505   110.62135    59.01752
   62    59 S   HC   _H41    85     1.09352   110.91245   179.93744
   63    55 S   OS   _O22    48     1.44438   108.82748   168.71739
   64    57 S   C    _C6_    67     1.38329   122.94923  -147.63854
   65    64 S   O    _O20    68     1.22789   125.50178     0.26688
   66    63 S   CT   _C19    49     1.43501   114.64573   -86.65549
   67    66 S   HC   _H48    50     1.09695   110.38125    32.86285
   68    64 S   CT   _C12    69     1.50436   112.59059  -178.29246
   69    68 S   HC   _H30    70     1.09319   109.23439    82.98349
   70    68 S   HC   _H31    71     1.09344   109.55446  -157.17821
   71    68 S   HC   _H32    72     1.09350   110.71611   -37.62359
   72    66 S   CT   _C16    51     1.53826   108.38463   -87.44812
   73    72 S   HC   _H42    52     1.09606   109.57978    54.28239
   74    72 S   HC   _H43    53     1.09724   109.78215   -60.86355
   75    66 S   CT   _C17    58     1.53642   107.52077   151.44565
   76    75 S   HC   _H44    59     1.09677   109.87339    60.14974
   77    75 S   HC   _H45    60     1.09479   110.39441   178.71900
   78    72 S   CT   _C13    54     1.52032   113.81865   175.71371
   79    78 S   HC   _H33    55     1.09356   111.67834    66.85886
   80    78 S   HC   _H34    56     1.09486   109.99635  -173.92933
   81    78 S   HC   _H35    57     1.09449   111.01691   -54.47224
   82    75 S   CT   _C14    61     1.52385   112.40974   -60.31772
   83    82 S   HC   _H36    62     1.09444   110.94110   -57.03273
   84    82 S   HC   _H37    63     1.09392   111.40617    63.99025
   85    82 S   HC   _H38    64     1.09463   110.10669  -176.60258
  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   9   5   4   3
  16   7   2   1   1  14  14   6   5   8   2  12   7   7  13   7
   4   1   1   6   5   4   9   3   8   3   3   2   1   1  10   5
   4  15   8   3   2   1   1  10   6   5   7   5   4   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    56    63    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    55    56    63    66    57    42    43    46  
   38    39    47    55    56    63    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    63    49    42    43    46    52  
   40    41    44    45    47    48    55    57    49    50    51    42    43    46  
   41    44    45    47    49    42  
   44    45    47    49    42  
   43    46    52    53    54    59    44    55  
   46    52  
   45    47    48    55    56    63    57    58    64    49    50    51  
   47    48    55    57    49    50    51  
   52    53    54    59    60    61    62  
   48    55    56    63    66    57    58    64    65    68    49    50    51  
   55    56    63    57    58    64    49  
   50    51    55    57  
   51  
    0  
   53    54    59    60    61    62  
   54    59    60    61    62  
   59    60    61    62  
   56    63    66    67    72    75    57    58    64  
   63    66    57  
   58    64    65    68    69    70    71    63  
   64    65    68  
   60    61    62  
   61    62  
   62  
    0  
   66    67    72    73    74    78    75    76    77    82  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    78    79    80    81    75    76    77    82    83    84    85  
   72    73    74    78    75    76    77    82  
   69    70    71  
   70    71  
   71  
    0  
   73    74    78    79    80    81    75    76    77    82  
   74    78    79    80    81    75  
   78    79    80    81    75  
   76    77    82    83    84    85    78  
   77    82    83    84    85  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   382.000  1.448
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   337.000  1.449
   55    56   340.000  1.090
   55    63   320.000  1.410
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   57    58   434.000  1.010
   57    64   490.000  1.335
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    50   434.000  1.010
   49    51   434.000  1.010
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    63    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   39    44    45    37.50000  110.70000
   39    44    47    58.35000  112.70000
   39    44    49    56.20000  109.47000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    70.00000  110.72300
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   47    44    45    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    63    50.00000  109.50000
   47    57    58    38.00000  118.40000
   47    57    64    50.00000  121.90000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    63    66    60.00000  109.50000
   63    55    56    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    72    50.00000  109.50000
   63    66    75    50.00000  109.50000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    82    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    37.50000  110.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   57    47    48    35.00000  109.50000
   57    47    55    70.00000  110.72300
   57    64    65    80.00000  122.90000
   57    64    68    70.00000  116.60000
   64    57    58    35.00000  119.80000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    56.20000  109.47000
   51    49    50    43.60000  106.40000
   42    38    39    70.00000  124.00000
   42    46    52    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    63   0.56750  1.0 1.0
   29    33    55    63  -0.07550 -1.0 2.0
   29    33    55    63   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    63    66   0.06250  1.0 1.0
   33    55    63    66  -0.01100 -1.0 2.0
   33    55    63    66   0.28050  1.0 3.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    63   0.23400  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    63   0.61850  1.0 1.0
   38    33    55    63  -0.22750 -1.0 2.0
   38    33    55    63   0.15300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    47   0.34400  1.0 1.0
   38    39   -44    47   0.09450 -1.0 2.0
   38    39   -44    47   0.11100  1.0 3.0
   38    39    44    49   0.59950  1.0 1.0
   38    39    44    49  -0.21400 -1.0 2.0
   38    39    44    49   0.56200  1.0 3.0
   38    42    46    52  -2.26850  1.0 1.0
   38    42    46    52   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    47    48   0.15000  1.0 3.0
   39    44    47    55   0.56750  1.0 1.0
   39    44    47    55  -0.07550 -1.0 2.0
   39    44    47    55   0.20000  1.0 3.0
   39    44    47    57  -0.27100  1.0 1.0
   39    44    47    57  -0.01700 -1.0 2.0
   39    44    47    57  -0.48600  1.0 3.0
   39    44    49    50  -0.05950  1.0 1.0
   39    44    49    50   0.08850 -1.0 2.0
   39    44    49    50   0.11750  1.0 3.0
   39    44    49    51  -0.05950  1.0 1.0
   39    44    49    51   0.08850 -1.0 2.0
   39    44    49    51   0.11750  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    44    49   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    47   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   44    47   -55    33   0.56750  1.0 1.0
   44    47   -55    33  -0.07550 -1.0 2.0
   44    47   -55    33   0.20000  1.0 3.0
   44    47    55    56   0.15000  1.0 3.0
   44    47    55    63   0.62750  1.0 1.0
   44    47    55    63  -0.30950 -1.0 2.0
   44    47    55    63   0.27300  1.0 3.0
   44    47    57    58   0.00000  1.0 1.0
   44    47    57    64  -0.43950  1.0 1.0
   44    47    57    64  -0.08100 -1.0 2.0
   44    47    57    64   0.03350  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    57   0.15000  1.0 3.0
   45    44    49    50   0.20000  1.0 3.0
   45    44    49    51   0.20000  1.0 3.0
   47    44    49    50  -0.05950  1.0 1.0
   47    44    49    50   0.08850 -1.0 2.0
   47    44    49    50   0.11750  1.0 3.0
   47    44    49    51  -0.05950  1.0 1.0
   47    44    49    51   0.08850 -1.0 2.0
   47    44    49    51   0.11750  1.0 3.0
   47    55    63    66   0.06250  1.0 1.0
   47    55    63    66  -0.01100 -1.0 2.0
   47    55    63    66   0.28050  1.0 3.0
   47    57    64    65   3.04450 -1.0 2.0
   47    57    64    68   1.49850  1.0 1.0
   47    57    64    68   1.53950 -1.0 2.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    63   0.23400  1.0 3.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    64   0.00000  1.0 1.0
   55    33   -38    39   0.46850  1.0 1.0
   55    33   -38    39   0.08550 -1.0 2.0
   55    33   -38    39   0.09800  1.0 3.0
   55    33    38    42   0.09850  1.0 1.0
   55    33    38    42   0.15250 -1.0 2.0
   55    33    38    42  -0.50650  1.0 3.0
   55    47    57    58   0.00000  1.0 1.0
   55    47    57    64  -0.43950  1.0 1.0
   55    47    57    64  -0.08100 -1.0 2.0
   55    47    57    64   0.03350  1.0 3.0
   55    63    66    67   0.37050  1.0 3.0
   55    63    66    72   0.06250  1.0 1.0
   55    63    66    72  -0.01100 -1.0 2.0
   55    63    66    72   0.28050  1.0 3.0
   55    63    66    75   0.06250  1.0 1.0
   55    63    66    75  -0.01100 -1.0 2.0
   55    63    66    75   0.28050  1.0 3.0
   56    55    63    66   0.37050  1.0 3.0
   63    66    72    73   0.23400  1.0 3.0
   63    66    72    74   0.23400  1.0 3.0
   63    66    72    78   0.62750  1.0 1.0
   63    66    72    78  -0.30950 -1.0 2.0
   63    66    72    78   0.27300  1.0 3.0
   63    66    75    76   0.23400  1.0 3.0
   63    66    75    77   0.23400  1.0 3.0
   63    66    75    82   0.62750  1.0 1.0
   63    66    75    82  -0.30950 -1.0 2.0
   63    66    75    82   0.27300  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    81   0.15000  1.0 3.0
   66    75    82    83   0.15000  1.0 3.0
   66    75    82    84   0.15000  1.0 3.0
   66    75    82    85   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    82   0.15000  1.0 3.0
   72    66    75    76   0.15000  1.0 3.0
   72    66    75    77   0.15000  1.0 3.0
   72    66    75    82   0.56750  1.0 1.0
   72    66    75    82  -0.07550 -1.0 2.0
   72    66    75    82   0.20000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   75    66    72    73   0.15000  1.0 3.0
   75    66    72    74   0.15000  1.0 3.0
   75    66    72    78   0.56750  1.0 1.0
   75    66    72    78  -0.07550 -1.0 2.0
   75    66    72    78   0.20000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   77    75    82    83   0.15000  1.0 3.0
   77    75    82    84   0.15000  1.0 3.0
   77    75    82    85   0.15000  1.0 3.0
   57    47    55    33  -0.27100  1.0 1.0
   57    47    55    33  -0.01700 -1.0 2.0
   57    47    55    33  -0.48600  1.0 3.0
   57    47    55    56   0.15000  1.0 3.0
   57    47    55    63   1.12100  1.0 1.0
   57    47    55    63  -0.16500 -1.0 2.0
   57    64    68    69   0.00000  1.0 1.0
   57    64    68    70   0.00000  1.0 1.0
   57    64    68    71   0.00000  1.0 1.0
   58    57    64    65   2.45000 -1.0 2.0
   58    57    64    68   2.45000 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  1.0 1.0
   49    44    47    48   0.15000  1.0 3.0
   49    44    47    55   1.85550  1.0 1.0
   49    44    47    55  -0.84100 -1.0 2.0
   49    44    47    57   2.65250  1.0 1.0
   49    44    47    57   0.86150 -1.0 2.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    52    53   0.08050  1.0 3.0
   42    46    52    54   0.08050  1.0 3.0
   42    46    52    59  -0.46850  1.0 1.0
   42    46    52    59   0.09300 -1.0 2.0
   42    46    52    59  -0.12850  1.0 3.0
   43    42    46    52   2.00000 -1.0 2.0
   46    52    59    60   0.23400  1.0 3.0
   46    52    59    61   0.23400  1.0 3.0
   46    52    59    62   0.23400  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   58    64    57    47   1.00000 -1.0 2.0
   57    68    64    65  10.50000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
