* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    319     582
    1     0 S   NP   _N1_     1    28.79909    95.68831   -19.81586
    2     1 S   H    _HN1     2     1.02780    80.27335   -84.11302
    3     1 S   H    _H1_     3     1.02961    88.39844    24.78572
    4     1 S   H    _H2_     4     1.02839    40.86494   143.48443
    5     1 S   CT   _CA1     5     1.50100   151.07822   156.92869
    6     5 S   HC   _HA1     6     1.09565   105.29119    49.87095
    7     5 S   CO3  _C1_     7     1.53789   112.35552   -70.53291
    8     7 S   O2Z  _O11     8     1.26370   115.00245   -44.13336
    9     7 S   O2Z  _O12     9     1.26233   114.93086   135.19906
   10     5 S   CT   _CB1    10     1.53077   107.46209   167.94949
   11    10 S   HC   HB11    11     1.09822   109.50636   -49.63570
   12    10 S   HC   HB12    12     1.09834   110.32756    66.95514
   13    10 S   CT   _CG1    13     1.53022   112.66405  -170.71312
   14    13 S   HC   HG11    14     1.09606   110.40887   -60.69511
   15    13 S   HC   HG12    15     1.09626   110.12099    58.61208
   16    13 S   C    _CD1    16     1.51774   112.13191   179.06959
   17    16 S   O    _OE1    17     1.22728   123.22392    -5.58827
   18    16 S   N    _N2_    18     1.38620   111.68223   174.15662
   19    18 S   H    _HN2    19     1.01587   119.06694     2.54099
   20    18 S   CT1  _CA2    20     1.46294   123.27949  -175.93794
   21    20 S   HC   _HA2    21     1.09728   109.37349   -13.81765
   22    20 S   C    _C2_    22     1.53333   108.47262  -129.75904
   23    22 S   O    _O2_    23     1.23008   122.22135  -145.71661
   24    20 S   CT   _CB2    32     1.53537   111.17557   108.06939
   25    24 S   HC   HB21    33     1.09566   109.32090    57.10434
   26    24 S   HC   HB22    34     1.09468   110.59278   175.93403
   27    22 S   N    _N3_    24     1.38499   113.33754    41.59636
   28    27 S   H    _HN3    25     1.01532   118.91474    -0.55355
   29    24 S   S    _SG2    35     1.82873   111.35575   -63.99147
   30    27 S   CT   _CA3    26     1.45454   123.46091   175.11854
   31    30 S   HC   HA31    27     1.09522   109.26335    23.83475
   32    30 S   HC   HA32    28     1.09496   107.11514   140.84637
   33    29 S   CT   _C20    36     1.83609   100.47490   160.31267
   34    33 S   HC   _H3_    37     1.09712   103.50280   -32.68061
   35    30 S   CO3  _C3_    29     1.52924   113.09754   -99.65808
   36    35 S   O2Z  _O31    30     1.26403   115.39959   -44.49436
   37    35 S   O2Z  _O32    31     1.26355   114.98601   136.43843
   38    33 S   CT   _C16    38     1.55431   109.94956    79.22763
   39    38 S   HC   _H47    39     1.09684   105.97400  -154.49968
   40    38 S   HC   _H48    40     1.09667   111.18770   -40.80605
   41    38 S   CT   _C22    41     1.54180   114.67218    85.09904
   42    41 S   CT   _C18    42     1.54481   108.14538    55.49568
   43    42 S   HC   _H50    43     1.09928   108.05359    59.54926
   44    41 S   CT   _C26    93     1.55750   110.19832   -68.87990
   45    44 S   HC   _H56    94     1.09528   112.82712  -167.29424
   46    44 S   HC   _H57    95     1.09093   113.08338    73.04313
   47    44 S   HC   _H58    96     1.09627   110.60606   -48.53562
   48    42 S   CT   _C14    44     1.52964   102.30347   171.70999
   49    48 S   HC   _H43    45     1.09148   113.51249  -158.20435
   50    48 S   HC   _H44    46     1.09602   111.30776    81.19447
   51    42 S   CT   _C19    60     1.54515   114.15203   -59.14522
   52    51 S   HC   _H51    61     1.09576   107.57742   -61.91041
   53    48 S   CT   _C15    47     1.53974   104.28377   -37.91260
   54    53 S   HC   _H45    48     1.09617   110.25413   133.69074
   55    53 S   HC   _H46    49     1.09576   109.59231  -109.35510
   56    51 S   CT   _C17    62     1.56114   111.75615  -177.77815
   57    56 S   HC   _H49    63     1.09974   107.97111    65.43663
   58    33 S   CT   _C24    79     1.58718   118.34875  -149.09582
   59    41 S   CT   _C23    50     1.56859   117.15278   167.37057
   60    56 S   CT   _C9_    64     1.53223   111.11093  -179.17220
   61    60 S   HC   _H33    65     1.09775   108.83326   -68.46566
   62    60 S   HC   _H34    66     1.09821   109.54020   176.51530
   63    58 S   OH   _O29    80     1.45769   103.39937   162.01246
   64    63 S   HO   _H62    81     0.97025   109.92940   -45.87143
   65    56 S   CO4  _C8_    86     1.53571   116.76302   -53.42428
   66    65 S   O    _O27    87     1.22442   125.29437   -93.86590
   67    59 S   CT   _C13    51     1.52678   117.67716   -33.96894
   68    67 S   HC   _H41    52     1.09270   115.14212   -31.84308
   69    67 S   HC   _H42    53     1.09808   110.41155  -152.62592
   70    60 S   CM   _C5_    67     1.51335   113.39373    52.15191
   71    65 S   OS   _O30    88     1.36407   110.11397    87.97608
   72    67 S   CT   _C11    54     1.51183   103.82288    92.38786
   73    72 S   HC   _H37    55     1.09204   112.57898   -89.73899
   74    72 S   HC   _H38    56     1.09281   111.26210   145.96580
   75    70 S   CM   _C4_    68     1.34444   119.52167   130.49856
   76    75 S   HC   _H32    69     1.08458   122.15777    -4.18722
   77    71 S   CT   _C27    89     1.43053   115.51186  -179.84805
   78    77 S   HC   _H59    90     1.09325   108.06781   178.71564
   79    77 S   HC   _H60    91     1.09426   110.30268    60.08629
   80    77 S   HC   _H61    92     1.09411   110.26279   -62.59063
   81    72 S   CO4  _C7_    57     1.49624   102.28009    27.63464
   82    81 S   O    _O26    58     1.22112   125.35408   166.09745
   83    75 S   CO4  _C6_    70     1.48129   121.24465   170.91425
   84    83 S   O    _O25    71     1.22888   119.91837   175.38646
   85    59 S   OS   _O28    59     1.43664   111.68840    85.14140
   86    83 S   CT   _C10    72     1.50616   117.79078    -8.64927
   87    86 S   HC   _H35    73     1.09552   108.63826   158.36175
   88    86 S   HC   _H36    74     1.09338   109.00264   -83.94179
   89    86 S   CT   _C12    75     1.52112   109.57855    38.99898
   90    89 S   HC   _H39    76     1.09543   106.61931    65.10177
   91    89 S   HC   _H40    77     1.09617   108.91381   179.25323
   92    70 S   CT   _C21    78     1.53882   116.27344   -53.01985
   93    92 S   CT   _C25    82     1.55284   104.24701   -72.86955
   94    93 S   HC   _H53    83     1.09300   112.40017  -152.30732
   95    93 S   HC   _H54    84     1.09371   112.56112    84.93834
   96    93 S   HC   _H55    85     1.09827   111.82904   -34.87930
  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  10   5   4   3
  18   8   2   1   1  18   6   5  23  23  10   9   3   2   1  12
   6   5  18   7   9   4   3  13   8  15   9  12   5   4   5   1
   7   2   8   6   5  13   4   5   4   3   9   4   3   2   1   1
   2   1   8   4   1   7   5   4   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    92    58    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    59    51    52    56    70    89    92    58    63    64    93    44  
   38    39    40    41    51    92    58    63  
   36    37  
   37  
    0  
   39    40    41    42    43    48    53    59    67    85    51    92    58    63    44    45    46    47  
   40    41    42    59    58    44  
   41    42    59    58    44  
   42    43    48    49    50    53    54    55    59    67    68    69    72    81    85    51    52    56    58    44    45    46    47  
   43    48    49    50    53    54    55    59    67    85    51    52    56    57    60    92    58    63    65    44    45    46    47  
   48    49    50    53    59    51    52    56    58    44  
   45    46    47    48    51    53    59    67    85  
   46    47    59  
   47    59  
   59  
   49    50    53    54    55    59    67    85    51    52    56    58  
   50    53    54    55    59    51  
   53    54    55    59    51  
   52    56    57    60    61    62    70    89    92    58    63    64    93    65    66    71    53    59  
   56    57    60    92    58    63    65  
   54    55    59    67    68    69    72    81    85  
   55    59    67    85  
   59    67    85  
   57    60    61    62    70    75    92    58    63    65    66    71    77  
   60    61    62    70    58    65    66    71  
   63    64    93    94    95    96    65    60    70    75    86    89    90    91    92  
   67    68    69    72    73    74    81    82    85  
   61    62    70    75    76    83    89    92    93    65    66    71  
   62    70    75    92    65  
   70    75    92    65  
   64    93    70    89    92  
   92  
   66    71    77    78    79    80    70  
   71    77  
   68    69    72    73    74    81    82    85  
   69    72    73    74    81    85  
   72    73    74    81    85  
   75    76    83    84    86    89    90    91    92    93    94    95    96  
   77    78    79    80  
   73    74    81    82    85  
   74    81    82    85  
   81    82    85  
   76    83    84    86    87    88    89    92    93  
   83    84    86    92  
   78    79    80  
   79    80  
   80  
    0  
   82    85  
   85  
   84    86    87    88    89    90    91    92  
   86    87    88    89  
    0  
   87    88    89    90    91    92    93  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93    94    95    96  
   94    95    96  
   95    96  
   96  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   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   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    59   268.000  1.529
   41    44   268.000  1.529
   42    43   340.000  1.090
   42    48   268.000  1.529
   42    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    67   268.000  1.529
   59    85   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   317.000  1.522
   81    82   570.000  1.229
   81    85   214.000  1.327
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    65   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.510
   70    75   549.000  1.340
   70    92   317.000  1.510
   75    76   340.000  1.080
   75    83   320.000  1.462
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    58   268.000  1.529
   92    93   268.000  1.529
   58    63   320.000  1.410
   63    64   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   65    66   570.000  1.229
   65    71   214.000  1.327
   71    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    51    58.35000  112.70000
   33    58    92    58.35000  112.70000
   33    58    63    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    59    58.35000  112.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    48    58.35000  112.70000
   41    42    51    58.35000  112.70000
   41    59    53    58.35000  112.70000
   41    59    67    58.35000  112.70000
   41    59    85    50.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    53    58.35000  112.70000
   42    51    52    37.50000  110.70000
   42    51    56    58.35000  112.70000
   42    51    58    58.35000  112.70000
   48    42    43    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    67    58.35000  112.70000
   53    59    85    50.00000  109.50000
   55    53    54    33.00000  107.80000
   59    41    42    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    72    58.35000  112.70000
   59    85    81    83.00000  116.90000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    81    63.00000  111.10000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    81    82    80.00000  120.40000
   72    81    85    81.00000  111.40000
   74    72    73    33.00000  107.80000
   81    72    73    35.00000  109.50000
   81    72    74    35.00000  109.50000
   85    59    67    50.00000  109.50000
   85    81    82    83.00000  123.40000
   51    42    43    37.50000  110.70000
   51    42    48    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    65    63.00000  111.10000
   51    58    92    58.35000  112.70000
   51    58    63    50.00000  109.50000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    70    70.00000  112.02700
   56    65    66    80.00000  120.40000
   56    65    71    81.00000  111.40000
   60    56    57    37.50000  110.70000
   60    70    75    70.00000  124.00000
   60    70    92    65.00000  117.92700
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    75    76    35.00000  120.00000
   70    75    83    65.00000  118.96000
   70    92    89    70.00000  112.02700
   70    92    58    70.00000  112.02700
   70    92    93    70.00000  112.02700
   75    83    84    80.00000  123.72100
   75    83    86    65.00000  118.62400
   83    75    76    40.00000  117.72500
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    63.00000  111.10000
   86    83    84    80.00000  120.40000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    58    58.35000  112.70000
   89    92    93    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    70    75    70.00000  124.00000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    58    63    50.00000  109.50000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    51    52    37.50000  110.70000
   58    51    56    58.35000  112.70000
   58    63    64    55.00000  108.50000
   93    92    58    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    60    63.00000  111.10000
   65    71    77    83.00000  116.90000
   71    65    66    83.00000  123.40000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    41    42    58.35000  112.70000
   44    41    59    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    51   0.44750  1.0 1.0
   29    33    58    51  -0.17800 -1.0 2.0
   29    33    58    51   0.20200  1.0 3.0
   29    33    58    92   0.44750  1.0 1.0
   29    33    58    92  -0.17800 -1.0 2.0
   29    33    58    92   0.20200  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
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   44    41    42    51   0.56750  1.0 1.0
   44    41    42    51  -0.07550 -1.0 2.0
   44    41    42    51   0.20000  1.0 3.0
   44    41    59    53   0.56750  1.0 1.0
   44    41    59    53  -0.07550 -1.0 2.0
   44    41    59    53   0.20000  1.0 3.0
   44    41    59    67   0.56750  1.0 1.0
   44    41    59    67  -0.07550 -1.0 2.0
   44    41    59    67   0.20000  1.0 3.0
   44    41    59    85   0.62750  1.0 1.0
   44    41    59    85  -0.30950 -1.0 2.0
   44    41    59    85   0.27300  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
   72    85    81    82  10.50000 -1.0 2.0
   60    92    70    75   1.10000 -1.0 2.0
   83    76    75    70   1.10000 -1.0 2.0
   75    86    83    84  10.50000 -1.0 2.0
   56    71    65    66  10.50000 -1.0 2.0
END
