* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    168    255     486
    1     0 S   NP   _N1_     1    30.09451    96.62168   -16.58255
    2     1 S   H    _HN1     2     1.02790    61.51450   -51.49990
    3     1 S   H    _H1_     3     1.02967   110.04165    48.81707
    4     1 S   H    _H2_     4     1.02838    47.79502   144.29497
    5     1 S   CT   _CA1     5     1.50115   138.55372  -143.28165
    6     5 S   HC   _HA1     6     1.09601   105.26628    10.73016
    7     5 S   CO3  _C1_     7     1.53865   111.88032  -108.99725
    8     7 S   O2Z  _O11     8     1.26291   115.21495   -59.28305
    9     7 S   O2Z  _O12     9     1.26245   114.88574   119.62797
   10     5 S   CT   _CB1    10     1.53094   107.22883   127.96736
   11    10 S   HC   HB11    11     1.09808   109.30894   -54.22688
   12    10 S   HC   HB12    12     1.09735   110.45540    62.18201
   13    10 S   CT   _CG1    13     1.52884   112.53696  -175.55860
   14    13 S   HC   HG11    14     1.09582   109.98282   -59.73323
   15    13 S   HC   HG12    15     1.09595   110.28514    59.24066
   16    13 S   C    _CD1    16     1.51853   112.00008   179.19037
   17    16 S   O    _OE1    17     1.22725   123.01368   -23.79456
   18    16 S   N    _N2_    18     1.38412   111.77590   157.38117
   19    18 S   H    _HN2    19     1.01615   118.40577     3.08369
   20    18 S   CT1  _CA2    20     1.46128   124.10001  -176.70058
   21    20 S   HC   _HA2    21     1.09725   108.98692   -26.76830
   22    20 S   C    _C2_    22     1.53598   108.58402  -142.44948
   23    22 S   O    _O2_    23     1.23079   122.33097  -149.16967
   24    20 S   CT   _CB2    32     1.53696   111.25277    95.69971
   25    24 S   HC   HB21    33     1.09550   109.97049    47.52484
   26    24 S   HC   HB22    34     1.09483   110.90444   165.85160
   27    22 S   N    _N3_    24     1.38466   113.88368    38.48370
   28    27 S   H    _HN3    25     1.01667   119.60736    -5.25833
   29    24 S   S    _SG2    35     1.82943   112.35946   -75.87254
   30    27 S   CT   _CA3    26     1.45385   122.47769   176.92712
   31    30 S   HC   HA31    27     1.09575   107.39396   -62.00638
   32    30 S   HC   HA32    28     1.09574   107.86113    54.13698
   33    29 S   CT   _C22    36     1.82690   100.03359   137.53129
   34    33 S   HC   _H3_    37     1.09406   107.90724    44.65978
   35    33 S   HC   _H4_    38     1.09589   107.00836   159.44858
   36    30 S   CO3  _C3_    29     1.52850   114.70707   175.75093
   37    36 S   O2Z  _O31    30     1.26344   116.13939   -14.58415
   38    36 S   O2Z  _O32    31     1.26418   114.45358   165.95521
   39    33 S   CT   _C13    39     1.53154   112.32019   -79.38951
   40    39 S   HC   _H37    40     1.09600   112.10031    39.54847
   41    39 S   CO4  _C6_    41     1.50712   112.30818   -81.01256
   42    41 S   O    _O21    42     1.22107   126.37418    41.44848
   43    41 S   OS   _O23    43     1.35947   109.88199  -140.16692
   44    43 S   CT   _C15    44     1.43698   111.05225     0.38359
   45    44 S   HC   _H39    45     1.09367   107.58166   -99.10814
   46    39 S   CT   _C14    46     1.54488   112.11120   164.29256
   47    46 S   HC   _H38    47     1.09911   108.25404    34.42125
   48    44 S   C3T  _C16    63     1.49806   107.62363   140.11736
   49    48 S   HC   _H40    64     1.08279   112.81522   -97.33085
   50    46 S   CT   _C17    48     1.55517   110.69201   -83.98159
   51    50 S   HC   _H41    49     1.09847   105.51056    51.91389
   52    82 S   O3T  _O24    65     1.43329   116.46254  -147.24774
   53    50 S   CT   _C11    50     1.54908   117.83892   168.52091
   54    53 S   HC   _H33    51     1.09800   107.62743   -57.27168
   55    53 S   HC   _H34    52     1.09829   108.49637  -170.87450
   56    50 S   OS   _O27    75     1.44420   108.94038   -63.53289
   57    53 S   CM   _C5_    53     1.51465   117.61145    67.80083
   58    56 S   CO4  _C9_    76     1.35907   117.96964   142.72414
   59    58 S   O    _O22    77     1.22199   126.41454     5.91434
   60    57 S   CM   _C4_    54     1.34848   119.87595  -113.02229
   61    60 S   HC   _H29    55     1.08962   118.41500    -3.24311
   62    57 S   CT   _C19    71     1.50336   116.01969    66.87842
   63    62 S   HC   _H42    72     1.09231   110.78467   -79.02229
   64    62 S   HC   _H43    73     1.09268   112.93976   159.43121
   65    62 S   HC   _H44    74     1.09545   110.28059    41.06524
   66    58 S   CM   _C8_    78     1.48984   109.04636  -171.66344
   67    60 S   CT   _C10    56     1.50653   126.87433   166.77858
   68    67 S   HC   _H31    57     1.09308   112.21519    19.02178
   69    67 S   HC   _H32    58     1.09598   109.00304   136.56428
   70    66 S   CM   _C7_    79     1.34531   115.23865   145.90187
   71    70 S   HC   _H30    80     1.08954   119.40074     0.19584
   72    66 S   CT   _C20    86     1.49805   118.58936   -31.92705
   73    72 S   HC   _H45    87     1.09461   110.03837   -61.75357
   74    72 S   HC   _H46    88     1.09265   113.05930   178.20987
   75    72 S   HC   _H47    89     1.09454   110.91363    58.31632
   76    67 S   CT   _C12    59     1.54210   110.41894  -103.07490
   77    76 S   HC   _H35    60     1.09600   109.30015   176.62687
   78    76 S   HC   _H36    61     1.09821   109.15904   -67.78704
   79    70 S   CT   _C21    81     1.49375   126.80050  -177.66921
   80    79 S   HC   _H48    82     1.09241   113.50426   -28.14978
   81    79 S   HC   _H49    83     1.09545   109.33255  -148.45574
   82    76 S   C3T  _C18    62     1.51437   111.78759    54.21842
   83    79 S   OH   _O25    84     1.41865   107.77966    92.93339
   84    83 S   HO   _H54    85     0.97556   107.64834   149.27798
   85    82 S   CT   _C23    66     1.50263   117.61088    76.50568
   86    85 S   HC   _H52    67     1.09218   111.02192   -60.74728
   87    85 S   HC   _H53    68     1.09342   111.98538   177.71612
   88    85 S   OH   _O26    69     1.42451   109.64583    58.61662
   89    88 S   HO   _H55    70     0.97239   106.86541   177.34959
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  12   5   4   6  10   9   3  12   5   4   2   1
   1  10   7   5   4  10   5   4   2   1   1   7   3   2   4   3
   2   5   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    82    48    49    52  
   45    46    47    50    51    53    76    82    48    49    52    85    56  
   46    47    50    82    48    49    52  
   47    50    51    53    54    55    57    82    48    49    52    56    58  
   50    51    53    48    56  
   49    52    85    86    87    88    50    67    76    77    78    82  
   52    85    76    82  
   51    53    54    55    57    60    62    56    58    59    66  
   53    54    55    57    56    58  
   85    86    87    88    67    76    77    78    82  
   54    55    57    60    61    67    62    63    64    65    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    66    70    72    57  
   60    61    67    68    69    76    62    63    64    65  
   59    66    70    71    79    72    73    74    75  
   66    70    72  
   61    67    68    69    76    77    78    82    62    63    64    65  
   67    68    69    76    62  
   63    64    65    67  
   64    65  
   65  
    0  
   70    71    79    80    81    83    72    73    74    75  
   68    69    76    77    78    82    85  
   69    76    77    78    82  
   76    77    78    82  
   71    79    80    81    83    84    72    73    74    75  
   79    80    81    83    72  
   73    74    75    79  
   74    75  
   75  
    0  
   77    78    82    85    86    87    88  
   78    82    85  
   82    85  
   80    81    83    84  
   81    83    84  
   83    84  
   85    86    87    88    89  
   84  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   275.000  1.510
   82    48   260.000  1.509
   82    52   335.000  1.432
   82    85   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   320.000  1.462
   66    70   549.000  1.340
   66    72   317.000  1.510
   70    71   340.000  1.080
   70    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   320.000  1.410
   83    84   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    82    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    62    65.00000  117.92700
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    67    70.00000  124.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    76    70.00000  112.02700
   67    60    61    35.00000  117.00000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    82    70.00000  112.37300
   69    67    68    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    69    37.50000  110.70000
   76    82    48    60.00000  120.94000
   76    82    52    80.00000  116.47100
   76    82    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    45.00000  109.38400
   82    76    78    45.00000  109.38400
   82    48    49    37.50000  117.20000
   82    48    52    15.00000   60.43100
   82    52    48    15.00000   59.14900
   82    85    86    45.00000  109.38400
   82    85    87    45.00000  109.38400
   82    85    88    50.00000  109.50000
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    82    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   85    82    48    60.00000  120.94000
   85    82    52    80.00000  116.47100
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   62    57    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    90.00000  111.29400
   58    66    70    65.00000  118.96000
   58    66    72    65.00000  116.34900
   66    58    59    80.00000  123.72100
   66    70    71    35.00000  120.00000
   66    70    79    70.00000  124.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   70    79    80    35.00000  109.50000
   70    79    81    35.00000  109.50000
   70    79    83    90.00000  110.39200
   79    70    71    35.00000  117.00000
   79    83    84    55.00000  108.50000
   81    79    80    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    81    35.00000  109.50000
   72    66    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    82  -0.26800  1.0 1.0
   43    44    48    82   0.69150 -1.0 2.0
   43    44    48    82  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    82   0.06250  1.0 1.0
   44    48   -52    82  -0.01100 -1.0 2.0
   44    48   -52    82   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    82   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    82   0.07850  1.0 1.0
   46    44    48    82  -0.03950 -1.0 2.0
   46    44    48    82   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    62   0.46850  1.0 1.0
   50    53    57    62   0.08550 -1.0 2.0
   50    53    57    62   0.09800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    66   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    67   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    62   0.34800  1.0 3.0
   57    60    67    68   0.00000  1.0 1.0
   57    60    67    69   0.00000  1.0 1.0
   57    60    67    76   0.09850  1.0 1.0
   57    60    67    76   0.15250 -1.0 2.0
   57    60    67    76  -0.50650  1.0 3.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    67    76    77   0.15000  1.0 3.0
   60    67    76    78   0.15000  1.0 3.0
   60    67    76    82   0.34400  1.0 1.0
   60    67    76    82   0.09450 -1.0 2.0
   60    67    76    82   0.11100  1.0 3.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    69   0.33100  1.0 3.0
   61    60    67    76   0.00000  1.0 1.0
   67    76    82    48   0.07850  1.0 1.0
   67    76    82    48  -0.03950 -1.0 2.0
   67    76    82    48   0.67350  1.0 3.0
   67    76    82    52   0.02550  1.0 1.0
   67    76    82    52  -0.02600 -1.0 2.0
   67    76    82    52   1.20400  1.0 3.0
   67    76    82    85   0.56750  1.0 1.0
   67    76    82    85  -0.07550 -1.0 2.0
   67    76    82    85   0.20000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    82   0.15000  1.0 3.0
   69    67    76    77   0.15000  1.0 3.0
   69    67    76    78   0.15000  1.0 3.0
   69    67    76    82   0.15000  1.0 3.0
   76    82    48    44   0.56750  1.0 1.0
   76    82    48    44  -0.07550 -1.0 2.0
   76    82    48    44   0.20000  1.0 3.0
   76    82    48    49   0.15000  1.0 3.0
   76    82   -48    52   0.02550  1.0 1.0
   76    82   -48    52  -0.02600 -1.0 2.0
   76    82   -48    52   1.20400  1.0 3.0
   76    82   -52    48   0.06250  1.0 1.0
   76    82   -52    48  -0.01100 -1.0 2.0
   76    82   -52    48   0.28050  1.0 3.0
   76    82    85    86   0.15000  1.0 3.0
   76    82    85    87   0.15000  1.0 3.0
   76    82    85    88   0.86500  1.0 1.0
   76    82    85    88  -0.17500 -1.0 2.0
   76    82    85    88   0.20800  1.0 3.0
   77    76    82    48   0.15000  1.0 3.0
   77    76    82    52   0.23400  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    48   0.15000  1.0 3.0
   78    76    82    52   0.23400  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    85    88    89  -0.11600  1.0 1.0
   82    85    88    89  -0.09450 -1.0 2.0
   82    85    88    89   0.21250  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    82    85    86   0.15000  1.0 3.0
   48    82    85    87   0.15000  1.0 3.0
   48    82    85    88   0.86500  1.0 1.0
   48    82    85    88  -0.17500 -1.0 2.0
   48    82    85    88   0.20800  1.0 3.0
   49    48   -52    82   0.36800  1.0 3.0
   52    82   -48    44   0.02550  1.0 1.0
   52    82   -48    44  -0.02600 -1.0 2.0
   52    82   -48    44   1.20400  1.0 3.0
   52    82   -48    49   0.23400  1.0 3.0
   52    82    85    86   0.23400  1.0 3.0
   52    82    85    87   0.23400  1.0 3.0
   52    82    85    88   3.69350  1.0 1.0
   52    82    85    88  -1.82950 -1.0 2.0
   85    82    48    44   0.56750  1.0 1.0
   85    82    48    44  -0.07550 -1.0 2.0
   85    82    48    44   0.20000  1.0 3.0
   85    82    48    49   0.15000  1.0 3.0
   85    82   -48    52   0.02550  1.0 1.0
   85    82   -48    52  -0.02600 -1.0 2.0
   85    82   -48    52   1.20400  1.0 3.0
   85    82   -52    48   0.06250  1.0 1.0
   85    82   -52    48  -0.01100 -1.0 2.0
   85    82   -52    48   0.28050  1.0 3.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    67   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    66    70  -0.56150  1.0 1.0
   56    58    66    70   2.19150 -1.0 2.0
   56    58    66    72  -0.15000  1.0 1.0
   56    58    66    72   0.89550 -1.0 2.0
   56    58    66    72  -0.06900  1.0 3.0
   58    66    70    71   7.00000 -1.0 2.0
   58    66    70    79   7.00000 -1.0 2.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   58    66    72    75   0.15000  1.0 3.0
   59    58    66    70   1.00000 -1.0 2.0
   59    58    66    72  -0.64400  1.0 1.0
   59    58    66    72   0.26850 -1.0 2.0
   66    70    79    80   0.00000  1.0 1.0
   66    70    79    81   0.00000  1.0 1.0
   66    70    79    83   0.67800  1.0 1.0
   66    70    79    83   0.47050 -1.0 2.0
   66    70    79    83  -0.62500  1.0 3.0
   70    66    72    73   0.00000  1.0 1.0
   70    66    72    74   0.00000  1.0 1.0
   70    66    72    75   0.00000  1.0 1.0
   70    79    83    84  -0.07800  1.0 1.0
   70    79    83    84  -0.21500 -1.0 2.0
   70    79    83    84  -0.03150  1.0 3.0
   71    70    79    80   0.33100  1.0 3.0
   71    70    79    81   0.33100  1.0 3.0
   71    70    79    83   0.00000  1.0 1.0
   80    79    83    84   0.19450  1.0 3.0
   81    79    83    84   0.19450  1.0 3.0
   72    66    70    71   7.00000 -1.0 2.0
   72    66    70    79   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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    62    57    60   1.10000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
   58    72    66    70  15.00000 -1.0 2.0
   79    71    70    66  15.00000 -1.0 2.0
END
