* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    164    250     484
    1     0 S   NP   _N1_     1    28.67511    94.53505   -22.18350
    2     1 S   H    _HN1     2     1.02776    96.98487   -85.64835
    3     1 S   H    _H1_     3     1.02948    86.24104    22.42807
    4     1 S   H    _H2_     4     1.02827    28.73979   159.46497
    5     1 S   CT   _CA1     5     1.50150   138.23554   139.18863
    6     5 S   HC   _HA1     6     1.09574   105.16699    69.51419
    7     5 S   CO3  _C1_     7     1.53815   112.31622   -50.60241
    8     7 S   O2Z  _O11     8     1.26377   114.97712   -42.98929
    9     7 S   O2Z  _O12     9     1.26224   114.93808   135.81597
   10     5 S   CT   _CB1    10     1.53067   107.37562  -172.57836
   11    10 S   HC   HB11    11     1.09828   109.38180   -49.32438
   12    10 S   HC   HB12    12     1.09803   110.43297    67.26130
   13    10 S   CT   _CG1    13     1.52977   112.62034  -170.29779
   14    13 S   HC   HG11    14     1.09522   110.49556   -64.40259
   15    13 S   HC   HG12    15     1.09664   109.88304    54.72263
   16    13 S   C    _CD1    16     1.51851   112.28384   175.01269
   17    16 S   O    _OE1    17     1.22737   123.27827     1.66542
   18    16 S   N    _N2_    18     1.38616   111.68127  -178.13460
   19    18 S   H    _HN2    19     1.01608   118.85959     0.24866
   20    18 S   CT1  _CA2    20     1.46307   123.47873   177.83111
   21    20 S   HC   _HA2    21     1.09738   109.42245    -4.75843
   22    20 S   C    _C2_    22     1.53430   108.39485  -120.21035
   23    22 S   O    _O2_    23     1.23039   122.34803  -147.73714
   24    20 S   CT   _CB2    32     1.53427   111.36794   117.44215
   25    24 S   HC   HB21    33     1.09239   109.20928    56.28503
   26    24 S   HC   HB22    34     1.09498   110.39388   174.52110
   27    22 S   N    _N3_    24     1.38359   113.53647    39.77183
   28    27 S   H    _HN3    25     1.01627   119.50953    -3.67413
   29    24 S   S    _SG2    35     1.82926   110.72935   -66.72163
   30    27 S   CT   _CA3    26     1.45282   123.14383   176.96785
   31    30 S   HC   HA31    27     1.09552   107.54886   -63.43223
   32    30 S   HC   HA32    28     1.09559   107.92121    52.97159
   33    29 S   CT   _C18    36     1.89888   103.17326   152.72597
   34    30 S   CO3  _C3_    29     1.52938   114.13855   174.95884
   35    34 S   O2Z  _O31    30     1.26367   116.07190    -0.05595
   36    34 S   O2Z  _O32    31     1.26432   114.40698   180.00000
   37    33 S   CT   _C10    37     1.54027   106.88207   -68.45953
   38    37 S   HC   _H28    38     1.09494   111.78378   176.02054
   39    37 S   HC   _H29    39     1.09439   111.98666    58.54680
   40    33 S   CT   _C12    55     1.54465   109.35381    51.62593
   41    40 S   HC   _H32    56     1.09592   111.44254   -59.34872
   42    40 S   HC   _H33    57     1.09699   109.82007  -174.50431
   43    37 S   CO4  _C4_    40     1.51727   111.88661   -63.15336
   44    43 S   O    _O21    41     1.23222   119.79445   137.07092
   45    43 S   CT   _C14    42     1.53255   117.03314   -49.02418
   46    45 S   HC   _H36    43     1.09856   104.55677   -74.61282
   47    45 S   CT   _C13    44     1.54362   112.99165    42.09017
   48    47 S   HC   _H34    45     1.09520   110.72908    78.85339
   49    47 S   HC   _H35    46     1.09772   107.36649  -166.98760
   50    45 S   CM   _C8_    80     1.52110   110.58498   169.15966
   51    33 S   CT   _C17    47     1.59359   110.32146   172.04330
   52    50 S   CM   _C5_    81     1.34372   121.00711   107.23946
   53    52 S   HC   _H25    82     1.08541   121.37242  -179.28454
   54    52 S   HC   _H26    83     1.08489   121.60240     0.32264
   55    50 S   CT   _C21    84     1.50513   118.64886   -71.76966
   56    55 S   HC   _H45    85     1.09402   110.74911   -71.09350
   57    55 S   HC   _H46    86     1.09357   110.92075    49.57634
   58    55 S   HC   _H47    87     1.09516   111.91687   169.30798
   59    51 S   CT   _C15    48     1.58121   109.25893   -62.79930
   60    59 S   HC   _H37    49     1.09782   108.79375    63.35821
   61    51 S   CT   _C23    76     1.56112   111.95237   176.79710
   62    61 S   HC   _H51    77     1.09255   112.83498    64.94743
   63    61 S   HC   _H52    78     1.09246   113.00187   -56.09157
   64    61 S   HC   _H53    79     1.09554   111.09218  -174.79338
   65    59 S   CT   _C16    50     1.55208   112.00245   -55.29382
   66    65 S   HC   _H38    51     1.09680   109.04538   -71.17909
   67    59 S   CT   _C22    72     1.54078   114.38382   179.52605
   68    67 S   HC   _H48    73     1.09403   111.94322    67.15721
   69    67 S   HC   _H49    74     1.09302   111.78363   -54.91200
   70    67 S   HC   _H50    75     1.09566   110.69713  -173.38055
   71    65 S   CT   _C11    52     1.53134   113.15705    51.08412
   72    71 S   HC   _H30    53     1.09724   109.35893  -170.77165
   73    71 S   HC   _H31    54     1.09685   109.59923    75.22414
   74    65 S   OS   _O23    58     1.44824   108.02951   170.76250
   75    74 S   CO4  _C9_    59     1.35884   117.54139   153.67475
   76    75 S   O    _O22    60     1.22119   126.89491    -0.27268
   77    75 S   CM   _C7_    61     1.48504   108.59074  -179.68225
   78    77 S   CM   _C6_    62     1.34479   120.53600  -136.02965
   79    78 S   HC   _H27    63     1.08924   117.80803  -177.66963
   80    77 S   CT   _C20    68     1.50022   116.96232    46.29366
   81    80 S   HC   _H42    69     1.09482   110.69008   -70.77630
   82    80 S   HC   _H43    70     1.09517   110.42978    49.44895
   83    80 S   HC   _H44    71     1.09523   111.95791   169.08467
   84    78 S   CT   _C19    64     1.49583   128.22423     4.07444
   85    84 S   HC   _H39    65     1.09402   109.98016  -109.04186
   86    84 S   HC   _H40    66     1.09506   109.33993   132.43849
   87    84 S   HC   _H41    67     1.09247   113.50223    13.09345
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5  10   4  15   7  14   5
   4   8  14   6   2   1   3   2   1   1  16   9   5   2   1   1
  12   6   5   2   1   1   4   2   1   5   9   3  10   9   5   4
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    51    59    71    40    41    42    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    51    59    60    65    71    72    73    40    41    42    67    61    62    63    64  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    51    59    71    40    41    42    61    50  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    74    61    43    47    51    59    65    66    71    72    73  
   42    51    65    71    72    73  
   51    65    71    72    73  
   44    45    46    47    48    49    51    50    52    55  
   45    46    47    50  
   46    47    48    49    51    59    61    50    52    53    54    55    56    57    58  
   47    48    49    51    50    52    55  
   48    49    51    59    60    65    67    61    62    63    64    50    52    55  
   49    51    59    61    50  
   51    59    61    50  
   52    53    54    55    56    57    58    51  
   59    60    65    66    71    74    67    68    69    70    61    62    63    64  
   53    54    55    56    57    58  
   54    55  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    71    72    73    74    75    67    68    69    70    61    62    63    64  
   65    66    71    74    67    68    69    70    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    71    72    73    74    75    76    77    67    68    69    70  
   71    72    73    74    75    67  
   68    69    70    71    74  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74  
   74  
   75    76    77    78    80  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   0.167500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    59   268.000  1.529
   51    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    52   549.000  1.340
   50    55   317.000  1.510
   52    53   340.000  1.080
   52    54   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    51    47    58.35000  112.70000
   33    51    59    58.35000  112.70000
   33    51    61    58.35000  112.70000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   43    45    50    70.00000  109.06800
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    50    52    70.00000  124.00000
   45    50    55    65.00000  117.92700
   47    45    46    37.50000  110.70000
   47    51    59    58.35000  112.70000
   47    51    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    65    58.35000  112.70000
   51    59    67    58.35000  112.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    58.35000  112.70000
   59    65    74    50.00000  109.50000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   65    59    60    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    40    58.35000  112.70000
   65    74    75    83.00000  116.90000
   71    65    66    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    42    37.50000  110.70000
   73    71    72    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   42    40    41    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    51    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    70.00000  112.02700
   50    52    53    35.00000  120.00000
   50    52    54    35.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   54    52    53    35.00000  117.00000
   55    50    52    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    59   0.44750  1.0 1.0
   29    33    51    59  -0.17800 -1.0 2.0
   29    33    51    59   0.20200  1.0 3.0
   29    33    51    61   0.44750  1.0 1.0
   29    33    51    61  -0.17800 -1.0 2.0
   29    33    51    61   0.20200  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    51    59    60   0.15000  1.0 3.0
   33    51    59    65   0.56750  1.0 1.0
   33    51    59    65  -0.07550 -1.0 2.0
   33    51    59    65   0.20000  1.0 3.0
   33    51    59    67   0.56750  1.0 1.0
   33    51    59    67  -0.07550 -1.0 2.0
   33    51    59    67   0.20000  1.0 3.0
   33    51    61    62   0.15000  1.0 3.0
   33    51    61    63   0.15000  1.0 3.0
   33    51    61    64   0.15000  1.0 3.0
   37    33    51    47   0.56750  1.0 1.0
   37    33    51    47  -0.07550 -1.0 2.0
   37    33    51    47   0.20000  1.0 3.0
   37    33    51    59   0.56750  1.0 1.0
   37    33    51    59  -0.07550 -1.0 2.0
   37    33    51    59   0.20000  1.0 3.0
   37    33    51    61   0.56750  1.0 1.0
   37    33    51    61  -0.07550 -1.0 2.0
   37    33    51    61   0.20000  1.0 3.0
   37    33    40    71   0.56750  1.0 1.0
   37    33    40    71  -0.07550 -1.0 2.0
   37    33    40    71   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43   -45    47   0.60050  1.0 1.0
   37    43   -45    47   0.05600 -1.0 2.0
   37    43   -45    47   0.26150  1.0 3.0
   37    43    45    50   0.65300  1.0 1.0
   37    43    45    50  -0.03850 -1.0 2.0
   37    43    45    50   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.11250  1.0 3.0
   43    45    47    51  -0.95700  1.0 1.0
   43    45    47    51  -0.18200 -1.0 2.0
   43    45    47    51   0.29450  1.0 3.0
   43    45    50    52  -0.51250  1.0 1.0
   43    45    50    52  -0.88800 -1.0 2.0
   43    45    50    52   0.08850  1.0 3.0
   43    45    50    55   0.17250  1.0 1.0
   43    45    50    55  -0.04100 -1.0 2.0
   43    45    50    55  -0.33850  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   44    43    45    50   0.30150 -1.0 2.0
   45    47   -51    33   0.56750  1.0 1.0
   45    47   -51    33  -0.07550 -1.0 2.0
   45    47   -51    33   0.20000  1.0 3.0
   45    47    51    59   0.56750  1.0 1.0
   45    47    51    59  -0.07550 -1.0 2.0
   45    47    51    59   0.20000  1.0 3.0
   45    47    51    61   0.56750  1.0 1.0
   45    47    51    61  -0.07550 -1.0 2.0
   45    47    51    61   0.20000  1.0 3.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    54   7.00000 -1.0 2.0
   45    50    55    56   0.34800  1.0 3.0
   45    50    55    57   0.34800  1.0 3.0
   45    50    55    58   0.34800  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    55   0.34800  1.0 3.0
   47    45    50    52   0.09850  1.0 1.0
   47    45    50    52   0.15250 -1.0 2.0
   47    45    50    52  -0.50650  1.0 3.0
   47    45    50    55   0.46850  1.0 1.0
   47    45    50    55   0.08550 -1.0 2.0
   47    45    50    55   0.09800  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    65   0.56750  1.0 1.0
   47    51    59    65  -0.07550 -1.0 2.0
   47    51    59    65   0.20000  1.0 3.0
   47    51    59    67   0.56750  1.0 1.0
   47    51    59    67  -0.07550 -1.0 2.0
   47    51    59    67   0.20000  1.0 3.0
   47    51    61    62   0.15000  1.0 3.0
   47    51    61    63   0.15000  1.0 3.0
   47    51    61    64   0.15000  1.0 3.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   48    47    51    61   0.15000  1.0 3.0
   49    47    51    33   0.15000  1.0 3.0
   49    47    51    59   0.15000  1.0 3.0
   49    47    51    61   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    43  -0.95700  1.0 1.0
   51    33   -37    43  -0.18200 -1.0 2.0
   51    33   -37    43   0.29450  1.0 3.0
   51    33    40    71   0.56750  1.0 1.0
   51    33    40    71  -0.07550 -1.0 2.0
   51    33    40    71   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    59    65    66   0.15000  1.0 3.0
   51    59   -65    71   0.56750  1.0 1.0
   51    59   -65    71  -0.07550 -1.0 2.0
   51    59   -65    71   0.20000  1.0 3.0
   51    59    65    74   0.62750  1.0 1.0
   51    59    65    74  -0.30950 -1.0 2.0
   51    59    65    74   0.27300  1.0 3.0
   51    59    67    68   0.15000  1.0 3.0
   51    59    67    69   0.15000  1.0 3.0
   51    59    67    70   0.15000  1.0 3.0
   59    51    61    62   0.15000  1.0 3.0
   59    51    61    63   0.15000  1.0 3.0
   59    51    61    64   0.15000  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    40   0.56750  1.0 1.0
   59    65    71    40  -0.07550 -1.0 2.0
   59    65    71    40   0.20000  1.0 3.0
   59    65    74    75  -0.25900  1.0 1.0
   59    65    74    75  -0.47000 -1.0 2.0
   59    65    74    75   0.11750  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    74   0.23400  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    70   0.15000  1.0 3.0
   65    59    67    68   0.15000  1.0 3.0
   65    59    67    69   0.15000  1.0 3.0
   65    59    67    70   0.15000  1.0 3.0
   65    71   -40    33   0.56750  1.0 1.0
   65    71   -40    33  -0.07550 -1.0 2.0
   65    71   -40    33   0.20000  1.0 3.0
   65    71    40    41   0.15000  1.0 3.0
   65    71    40    42   0.15000  1.0 3.0
   65    74    75    76   3.00000 -1.0 2.0
   65    74    75    77   2.00000 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    40   0.15000  1.0 3.0
   66    65    74    75   0.08050  1.0 3.0
   71    65    74    75  -0.25900  1.0 1.0
   71    65    74    75  -0.47000 -1.0 2.0
   71    65    74    75   0.11750  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    42   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.15000  1.0 3.0
   73    71    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    51    47   0.56750  1.0 1.0
   40    33    51    47  -0.07550 -1.0 2.0
   40    33    51    47   0.20000  1.0 3.0
   40    33   -51    59   0.56750  1.0 1.0
   40    33   -51    59  -0.07550 -1.0 2.0
   40    33   -51    59   0.20000  1.0 3.0
   40    33    51    61   0.56750  1.0 1.0
   40    33    51    61  -0.07550 -1.0 2.0
   40    33    51    61   0.20000  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    40   0.62750  1.0 1.0
   74    65    71    40  -0.30950 -1.0 2.0
   74    65    71    40   0.27300  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   67    59    65    66   0.15000  1.0 3.0
   67    59    65    71   0.56750  1.0 1.0
   67    59    65    71  -0.07550 -1.0 2.0
   67    59    65    71   0.20000  1.0 3.0
   67    59    65    74   0.62750  1.0 1.0
   67    59    65    74  -0.30950 -1.0 2.0
   67    59    65    74   0.27300  1.0 3.0
   61    51    59    60   0.15000  1.0 3.0
   61    51    59    65   0.56750  1.0 1.0
   61    51    59    65  -0.07550 -1.0 2.0
   61    51    59    65   0.20000  1.0 3.0
   61    51    59    67   0.56750  1.0 1.0
   61    51    59    67  -0.07550 -1.0 2.0
   61    51    59    67   0.20000  1.0 3.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    51   0.34400  1.0 1.0
   50    45    47    51   0.09450 -1.0 2.0
   50    45    47    51   0.11100  1.0 3.0
   52    50    55    56   0.00000  1.0 1.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    58   0.00000  1.0 1.0
   55    50    52    53   7.00000 -1.0 2.0
   55    50    52    54   7.00000 -1.0 2.0
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
   37    45    43    44  10.50000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
   45    55    50    52  15.00000 -1.0 2.0
   53    54    52    50  15.00000 -1.0 2.0
END
