* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    197    323     593
    1     0 S   NP   _N1_     1    29.41702    99.26265   -19.08696
    2     1 S   H    _HN1     2     1.02796    83.40821   -91.21228
    3     1 S   H    _H1_     3     1.02949    60.54981    24.23064
    4     1 S   H    _H2_     4     1.02827    63.72186   155.10065
    5     1 S   CT   _CA1     5     1.50109   164.30460    82.33493
    6     5 S   HC   _HA1     6     1.09568   105.17970   125.51933
    7     5 S   CO3  _C1_     7     1.53701   112.63106     5.24930
    8     7 S   O2Z  _O11     8     1.26345   114.97527   -39.40786
    9     7 S   O2Z  _O12     9     1.26254   115.03172   139.71602
   10     5 S   CT   _CB1    10     1.53046   107.43180  -116.38326
   11    10 S   HC   HB11    11     1.09834   109.32218   -49.16880
   12    10 S   HC   HB12    12     1.09816   110.48933    67.47015
   13    10 S   CT   _CG1    13     1.52970   112.58007  -170.11702
   14    13 S   HC   HG11    14     1.09580   110.72323   -68.09711
   15    13 S   HC   HG12    15     1.09673   109.71207    51.14566
   16    13 S   C    _CD1    16     1.51765   112.08894   171.64078
   17    16 S   O    _OE1    17     1.22722   123.24151    12.12411
   18    16 S   N    _N2_    18     1.38591   111.66288  -168.22179
   19    18 S   H    _HN2    19     1.01570   118.94554     1.53468
   20    18 S   CT1  _CA2    20     1.46245   123.46316   177.16186
   21    20 S   HC   _HA2    21     1.09733   109.47090     0.98079
   22    20 S   C    _C2_    22     1.53513   108.39086  -114.49243
   23    22 S   O    _O2_    23     1.23041   122.34342  -147.36180
   24    20 S   CT   _CB2    32     1.53262   111.28617   123.16070
   25    24 S   HC   HB21    33     1.09559   109.73435    54.97571
   26    24 S   HC   HB22    34     1.09446   110.43166   174.02706
   27    22 S   N    _N3_    24     1.38349   113.59769    40.04141
   28    27 S   H    _HN3    25     1.01593   119.53853    -3.24166
   29    24 S   S    _SG2    35     1.82845   111.06384   -66.32000
   30    27 S   CT   _CA3    26     1.45281   123.26601   177.19816
   31    30 S   HC   HA31    27     1.09547   107.50094   -64.97045
   32    30 S   HC   HA32    28     1.09555   108.00487    51.48255
   33    29 S   CT   _C25    36     1.85695   100.16780   158.06173
   34    33 S   HC   _H7_    37     1.09627   105.51394   -40.58548
   35    30 S   CO3  _C3_    29     1.52969   114.04386   173.48446
   36    35 S   O2Z  _O31    30     1.26382   116.06352    -0.72416
   37    35 S   O2Z  _O32    31     1.26422   114.42235   179.33973
   38    33 S   CT   _C24    38     1.53326   107.37066    75.01433
   39    38 S   HC   _H29    39     1.09533   111.74447   -49.77798
   40    38 S   HC   _H30    40     1.09544   111.26639  -168.31526
   41    38 S   CO4  _C23    41     1.50979   110.81929    71.74452
   42    41 S   O    _O37    42     1.22913   121.97194  -147.08737
   43    41 S   CM   _C22    43     1.48170   118.03863    37.12015
   44    43 S   HC   _H28    44     1.08489   116.21706   168.39138
   45    43 S   CM   _C21    45     1.34444   121.44970    -5.89448
   46    45 S   CT   _C20    46     1.51152   118.91770   169.23482
   47    46 S   HC   _H26    47     1.09754   108.40331  -101.76491
   48    46 S   HC   _H27    48     1.09717   111.12578    14.48805
   49    46 S   CT   _C19    49     1.52088   113.47176   137.07530
   50    49 S   HC   _H24    50     1.09637   108.41023   174.36487
   51    49 S   HC   _H25    51     1.09778   109.41187   -69.79585
   52    49 S   CT   _C9_    52     1.53781   111.94894    52.77908
   53    52 S   HC   _H4_    53     1.09347   108.01284    63.10318
   54    52 S   CT   _C10    54     1.53670   110.13916  -177.62669
   55    54 S   HC   _H5_    55     1.10056   106.04675    61.48842
   56    52 S   CT   _C8_    68     1.56173   109.59740   -57.57468
   57    56 S   F    F1__    69     1.38328   103.62325   -58.11772
   58    54 S   CT   _C11    56     1.52717   118.55526   -57.28107
   59    58 S   HC   _H13    57     1.09583   110.23941   -44.45688
   60    58 S   HC   _H14    58     1.09471   111.92712    76.06189
   61    33 S   CT   _C26    70     1.58808   116.16869  -159.66321
   62    58 S   CT   _C12    59     1.54096   103.95268  -162.54575
   63    62 S   HC   _H6_    60     1.09416   109.37869   135.72160
   64    61 S   CT   _C27    71     1.55970   106.98868   168.05598
   65    64 S   HC   _H31    72     1.09425   111.97998   -44.37804
   66    64 S   HC   _H32    73     1.09328   112.83024  -165.96263
   67    64 S   HC   _H33    74     1.09705   111.84414    74.50443
   68    62 S   CT   _C13    61     1.54078   107.24280    10.46930
   69    54 S   CT   _C5_    62     1.54760   113.69079  -179.55501
   70    68 S   OS   _O33    81     1.42641   104.21721   -99.04924
   71    68 S   CO4  _C17    92     1.53851   113.19046   142.90475
   72    71 S   O    _O35    93     1.23273   121.45354   -24.88178
   73    69 S   CT   _C6_    63     1.54311   106.54963   -62.25885
   74    73 S   HC   _H11    64     1.09720   109.87870   -64.96296
   75    73 S   HC   _H12    65     1.09517   109.69385   177.90969
   76    69 S   CT   _C4_    77     1.55165   113.14392    59.73767
   77    76 S   HC   _H8_    78     1.09505   112.38345    67.17161
   78    76 S   HC   _H9_    79     1.09140   113.34892   -53.06160
   79    76 S   HC   _H10    80     1.09610   110.55278  -173.21476
   80    70 S   CO   _C14    82     1.42903   107.24963   -21.08110
   81    71 S   CT   _C18    94     1.51994   117.29610   156.34804
   82    81 S   HC   _H21    95     1.08986   109.77260    56.90256
   83    81 S   HC   _H22    96     1.09188   109.21856   -64.56265
   84    73 S   CT   _C7_    66     1.54735   113.33421    55.72288
   85    84 S   HC   _H3_    67     1.09519   106.40447  -170.14639
   86    62 S   OS   _O34    83     1.42528   110.38001  -105.34691
   87    80 S   CT   _C15    84     1.52618   109.76013  -103.13987
   88    87 S   HC   _H15    85     1.09526   110.98030    62.55578
   89    87 S   HC   _H16    86     1.09438   111.37805   -56.91555
   90    87 S   HC   _H17    87     1.09532   111.17721  -178.82447
   91    80 S   CT   _C16    88     1.52348   108.73908   135.98766
   92    91 S   HC   _H18    89     1.09523   110.74346   -61.12105
   93    91 S   HC   _H19    90     1.09511   111.32954  -179.91844
   94    91 S   HC   _H20    91     1.09513   111.29159    57.95819
   95    81 S   OH   _O36    97     1.41454   110.59220   176.30875
   96    95 S   HO   _H23    98     0.97264   106.84806   177.61345
   97    84 S   OH   _O38    75     1.42024   109.39602    75.42574
   98    97 S   HO   _H34    76     0.97258   107.86590    56.19713
  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  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  12   6   5   8  13   6   4
   2   1   1  20  16  15  10   4  10   5   4   4   2   1   1   9
   4   3   2   3   2   8   7   3   2   1   3   2   1   1   1   1
   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    84    56    57    61    64    65    66    67  
   38    39    40    41    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    64  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    64  
   45    46    61  
   46    47    48    49    50    51    52    84    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    69    84    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    69    73    84    85    56    57    61    64    97    76  
   54    55    58    69    84    56    57    61  
   55    58    59    60    62    63    68    69    73    74    75    84    56    57    61    76    77    78    79    70    86    71  
   58    59    60    62    68    69    73    56    76  
   57    61    64    65    66    67    97    98    58    69    73    74    75    84    85  
   61    64    97    73    84    85  
   59    60    62    63    68    69    73    76    70    80    86    71  
   60    62    63    68    69    86  
   62    63    68    69    86  
   64    65    66    67    97    73    84    85  
   63    68    69    73    76    70    80    86    87    91    71    72    81  
   68    69    70    80    86    71  
   65    66    67    84  
   66    67  
   67  
    0  
   69    73    74    75    84    76    77    78    79    70    80    86    87    91    71    72    81    82    83    95  
   73    74    75    84    85    97    76    77    78    79    70    80    86    71    72    81  
   80    86    87    88    89    90    91    92    93    94    71    72    81    73    76  
   72    81    82    83    95    96    73    76    80    86  
   81    82    83    95  
   74    75    84    85    97    98    76    77    78    79  
   75    84    85    97    76  
   84    85    97    76  
   77    78    79    84  
   78    79  
   79  
    0  
   86    87    88    89    90    91    92    93    94  
   82    83    95    96  
   83    95    96  
   95    96  
   85    97    98  
   97    98  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   96  
    0  
   98  
    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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   98   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    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    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    69   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    86   320.000  1.410
   68    69   268.000  1.529
   68    70   320.000  1.410
   68    71   317.000  1.522
   69    73   268.000  1.529
   69    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    84   268.000  1.529
   84    85   340.000  1.090
   84    56   268.000  1.529
   84    97   320.000  1.410
   56    57   367.000  1.332
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   97    98   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    80   320.000  1.380
   80    86   320.000  1.380
   80    87   250.000  1.527
   80    91   250.000  1.527
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   71    72   570.000  1.229
   71    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    95   320.000  1.410
   95    96   553.000  0.945
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    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    69    58.35000  112.70000
   52    56    84    58.35000  112.70000
   52    56    57    50.00000  109.50000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    69    68    58.35000  112.70000
   54    69    73    58.35000  112.70000
   54    69    76    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    86    50.00000  109.50000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    69    58.35000  112.70000
   62    68    70    50.00000  109.50000
   62    68    71    63.00000  111.10000
   62    86    80    60.00000  109.50000
   68    62    63    37.50000  110.70000
   68    69    73    58.35000  112.70000
   68    69    76    58.35000  112.70000
   68    70    80    60.00000  109.50000
   68    71    72    80.00000  120.40000
   68    71    81    70.00000  116.00000
   69    54    55    37.50000  110.70000
   69    54    58    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    84    58.35000  112.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   73    84    85    37.50000  110.70000
   73    84    56    58.35000  112.70000
   73    84    97    50.00000  109.50000
   75    73    74    33.00000  107.80000
   84    73    74    37.50000  110.70000
   84    73    75    37.50000  110.70000
   84    56    57    50.00000  109.50000
   84    56    61    58.35000  112.70000
   84    97    98    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    84    85    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   97    84    85    35.00000  109.50000
   97    84    56    50.00000  109.50000
   76    69    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    68    69    50.00000  109.50000
   70    80    86    92.60000  111.55000
   70    80    87    90.00000  108.56700
   70    80    91    90.00000  108.56700
   80    87    88    45.00000  108.72000
   80    87    89    45.00000  108.72000
   80    87    90    45.00000  108.72000
   80    91    92    45.00000  108.72000
   80    91    93    45.00000  108.72000
   80    91    94    45.00000  108.72000
   86    62    63    35.00000  109.50000
   86    62    68    50.00000  109.50000
   87    80    86    90.00000  108.56700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    80    86    90.00000  108.56700
   91    80    87    65.00000  112.71400
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   71    68    69    63.00000  111.10000
   71    68    70    90.00000  108.74100
   71    81    82    35.00000  109.50000
   71    81    83    35.00000  109.50000
   71    81    95    90.00000  109.61100
   81    71    72    80.00000  120.40000
   81    95    96    55.00000  108.50000
   83    81    82    33.00000  107.80000
   95    81    82    35.00000  109.50000
   95    81    83    35.00000  109.50000
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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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
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   70    80    87    88   0.23400  1.0 3.0
   70    80    87    89   0.23400  1.0 3.0
   70    80    87    90   0.23400  1.0 3.0
   70    80    91    92   0.23400  1.0 3.0
   70    80    91    93   0.23400  1.0 3.0
   70    80    91    94   0.23400  1.0 3.0
   86    62    68    69   0.62750  1.0 1.0
   86    62    68    69  -0.30950 -1.0 2.0
   86    62    68    69   0.27300  1.0 3.0
   86    62   -68    70   1.11900  1.0 1.0
   86    62   -68    70  -1.16350 -1.0 2.0
   86    62   -68    70  -0.34150  1.0 3.0
   86    62    68    71  -0.09450  1.0 1.0
   86    62    68    71  -1.12950 -1.0 2.0
   86    62    68    71   0.54000  1.0 3.0
   86    80    87    88   0.23400  1.0 3.0
   86    80    87    89   0.23400  1.0 3.0
   86    80    87    90   0.23400  1.0 3.0
   86    80    91    92   0.23400  1.0 3.0
   86    80    91    93   0.23400  1.0 3.0
   86    80    91    94   0.23400  1.0 3.0
   87    80    86    62   0.06250  1.0 1.0
   87    80    86    62  -0.01100 -1.0 2.0
   87    80    86    62   0.28050  1.0 3.0
   87    80    91    92   0.15000  1.0 3.0
   87    80    91    93   0.15000  1.0 3.0
   87    80    91    94   0.15000  1.0 3.0
   91    80    86    62   0.06250  1.0 1.0
   91    80    86    62  -0.01100 -1.0 2.0
   91    80    86    62   0.28050  1.0 3.0
   91    80    87    88   0.15000  1.0 3.0
   91    80    87    89   0.15000  1.0 3.0
   91    80    87    90   0.15000  1.0 3.0
   71    68    69    54  -0.95700  1.0 1.0
   71    68    69    54  -0.18200 -1.0 2.0
   71    68    69    54   0.29450  1.0 3.0
   71    68    69    73  -0.95700  1.0 1.0
   71    68    69    73  -0.18200 -1.0 2.0
   71    68    69    73   0.29450  1.0 3.0
   71    68    69    76  -0.95700  1.0 1.0
   71    68    69    76  -0.18200 -1.0 2.0
   71    68    69    76   0.29450  1.0 3.0
   71    68    70    80  -1.11000  1.0 1.0
   71    68    70    80   0.50250 -1.0 2.0
   71    68    70    80   0.47450  1.0 3.0
   71    81    95    96   0.91850  1.0 1.0
   71    81    95    96   0.57950  1.0 3.0
   72    71    81    82   0.00000  1.0 1.0
   72    71    81    83   0.00000  1.0 1.0
   72    71    81    95   0.30150 -1.0 2.0
   82    81    95    96   0.19450  1.0 3.0
   83    81    95    96   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   68    81    71    72  10.50000 -1.0 2.0
END
