* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    198    316     586
    1     0 S   NP   _N1_     1    28.74829    96.48676   -21.03252
    2     1 S   H    _HN1     2     1.02783    87.61044   -88.58297
    3     1 S   H    _H1_     3     1.02952    78.23713    20.73060
    4     1 S   H    _H2_     4     1.02833    43.27017   151.91253
    5     1 S   CT   _CA1     5     1.50113   152.94800   132.77977
    6     5 S   HC   _HA1     6     1.09561   105.25153    73.15502
    7     5 S   CO3  _C1_     7     1.53811   112.40557   -47.26337
    8     7 S   O2Z  _O11     8     1.26383   114.98757   -42.09925
    9     7 S   O2Z  _O12     9     1.26228   114.99267   137.15501
   10     5 S   CT   _CB1    10     1.53081   107.45943  -168.65992
   11    10 S   HC   HB11    11     1.09825   109.56687   -47.95847
   12    10 S   HC   HB12    12     1.09828   110.37117    68.71665
   13    10 S   CT   _CG1    13     1.52986   112.56784  -168.90224
   14    13 S   HC   HG11    14     1.09457   110.60994   -61.10401
   15    13 S   HC   HG12    15     1.09655   109.93152    58.05554
   16    13 S   C    _CD1    16     1.51732   112.23144   178.36817
   17    16 S   O    _OE1    17     1.22741   123.19471    -2.44936
   18    16 S   N    _N2_    18     1.38673   111.68264   177.97822
   19    18 S   H    _HN2    19     1.01568   119.11766     1.07666
   20    18 S   CT1  _CA2    20     1.46190   123.20081   178.34200
   21    20 S   HC   _HA2    21     1.09752   109.25670    -2.06185
   22    20 S   C    _C2_    22     1.53500   108.40304  -117.40146
   23    22 S   O    _O2_    23     1.23042   122.42181  -147.37837
   24    20 S   CT   _CB2    32     1.53604   112.05469   119.82172
   25    24 S   HC   HB21    33     1.09424   109.82466    59.84063
   26    24 S   HC   HB22    34     1.09275   108.68362   178.37936
   27    22 S   N    _N3_    24     1.38384   113.56242    40.00847
   28    27 S   H    _HN3    25     1.01608   119.51467    -3.38136
   29    24 S   S    _SG2    35     1.82933   110.88609   -61.60452
   30    27 S   CT   _CA3    26     1.45276   123.14580   177.07189
   31    30 S   HC   HA31    27     1.09556   107.51464   -64.24546
   32    30 S   HC   HA32    28     1.09563   107.96563    52.17071
   33    29 S   CT   _C21    36     1.89772   103.18513   179.64173
   34    30 S   CO3  _C3_    29     1.52943   114.12745   174.16746
   35    34 S   O2Z  _O31    30     1.26370   116.07453    -0.63735
   36    34 S   O2Z  _O32    31     1.26433   114.40723   179.42393
   37    33 S   CT   _C20    37     1.56847   108.11967   -55.22726
   38    37 S   HC   _H25    38     1.09624   111.33214   100.04212
   39    37 S   HC   _H26    39     1.09729   111.22304   -18.94883
   40    33 S   CT   _C22    96     1.60838   107.60687    60.00473
   41    40 S   OM   _O35    97     1.32375   111.38510    63.42962
   42    40 S   HC   _H27    98     1.10112   105.87857   -64.33929
   43    40 S   HC   _H28    99     1.09923   106.55496  -167.66376
   44    37 S   CT   _C19    40     1.53243   110.96677  -137.93639
   45    44 S   HC   _H9_    41     1.09511   109.65489  -171.00916
   46    44 S   CT   _C18    42     1.52613   113.33054   -47.76833
   47    46 S   HC   _H23    43     1.09637   110.00489   -58.98788
   48    46 S   HC   _H24    44     1.09306   108.33286  -174.53270
   49    46 S   CT   _C9_    45     1.55217   110.56450    62.99822
   50    49 S   HC   _H5_    46     1.09587   105.89870  -118.88291
   51    33 S   CT   _C8_    47     1.65423   112.90174  -170.67736
   52    51 S   CT   _C7_    48     1.56124   114.56702   -49.46848
   53    52 S   HC   _H4_    49     1.09204   109.63317   -45.94812
   54    51 S   CO   _C23    86     1.58406   107.19169    73.73874
   55    54 S   HC   _H10    87     1.08740   109.82840  -175.74909
   56    52 S   CT   _C6_    50     1.53382   113.08147  -165.55811
   57    56 S   HC   _H14    51     1.09552   110.91625   -68.94391
   58    56 S   HC   _H15    52     1.09840   107.98577   177.57723
   59    52 S   OS   _O39    79     1.44670   110.90446    74.40071
   60    44 S   OS   _O36    88     1.42821   109.29350    71.45852
   61    54 S   OS   _O37    89     1.44103   112.43997   -57.56666
   62    56 S   CT   _C5_    53     1.53598   112.52220    57.03526
   63    62 S   HC   _H3_    54     1.09919   105.83065    54.77715
   64    59 S   CO4  _C26    80     1.36212   118.46525  -151.74124
   65    64 S   O    _O40    81     1.22300   126.66190    -1.69535
   66    61 S   CO4  _C24    90     1.36129   117.01462  -161.65413
   67    66 S   O    _O38    91     1.22341   126.53360     0.74178
   68    49 S   CT   _C10    55     1.59887   114.92235   130.01421
   69    62 S   CT   _C4_    75     1.53274   108.61150   167.95994
   70    69 S   HC   _H11    76     1.09324   112.35162    71.60070
   71    69 S   HC   _H12    77     1.09633   110.64150   -48.16915
   72    69 S   HC   _H13    78     1.09212   111.29952  -165.49652
   73    64 S   CT   _C27    82     1.49913   109.30823   178.37358
   74    73 S   HC   _H32    83     1.09277   109.93902   -63.43430
   75    73 S   HC   _H33    84     1.09374   109.35314   177.37169
   76    73 S   HC   _H34    85     1.09304   109.84461    58.45622
   77    66 S   CT   _C25    92     1.49762   109.49219  -178.25258
   78    77 S   HC   _H29    93     1.09322   110.12756   -51.06382
   79    77 S   HC   _H30    94     1.09363   109.31536  -169.75750
   80    77 S   HC   _H31    95     1.09228   109.50174    70.81216
   81    68 S   CT   _C12    56     1.58511   106.54177    62.31833
   82    81 S   HC   _H6_    57     1.09645   108.51259   -39.03926
   83    68 S   CT   _C11    71     1.54767   113.25870   -56.19942
   84    83 S   HC   _H16    72     1.09456   111.72979   173.11653
   85    83 S   HC   _H17    73     1.09266   112.52688    53.73403
   86    83 S   HC   _H18    74     1.08778   113.44133   -68.98399
   87    81 S   CT   _C13    58     1.52726   119.36601  -160.33521
   88    87 S   HC   _H19    59     1.09525   112.20443    79.06792
   89    87 S   HC   _H20    60     1.09134   112.12392   -41.85487
   90    81 S   OS   _O34    70     1.43848   111.27443    76.75964
   91    87 S   CT   _C14    61     1.51394   103.46289  -158.60921
   92    91 S   HC   _H7_    62     1.09485   112.43058   148.10772
   93    91 S   CM   _C15    63     1.48435   115.73879   -84.55036
   94    93 S   HC   _H21    64     1.07891   125.79230   -63.14942
   95    93 S   CM   _C16    65     1.32681   108.47409   119.20808
   96    95 S   HC   _H22    66     1.07554   128.51245   177.69573
   97    95 S   OS   _O33    67     1.37667   116.47224    -1.48213
   98    91 S   CO   _C17    68     1.53036   104.14237    25.59560
   99    98 S   HC   _H8_    69     1.09528   112.25530   108.79384
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  22   2   1   1  16   7   6   8   3   2   1  12   6  12   6   5
  22   7  16  16   7   9   3  13   6   5   7   2   6  14   7   5
   4   5   4  16   5   2   1   1   3   2   1   1   3   2   1   1
  15   7   5   2   1   1  11   6   5   7   8   6   6   4   4   2
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    51    52    54    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    51    52    53    56    68    59    54    55    60    61    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    51    52    54    60    40    41    42    43  
   39    44    45    46    51    60    40  
   44    45    46    51    60    40  
   41    42    43    44    49    51    52    54  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    68    54    55    60    61  
   46    47    48    49    54    60  
   47    48    49    50    51    52    62    68    81    83    54    60  
   48    49    50    51    68    60  
   49    50    51    68    60  
   50    51    52    53    56    62    63    68    81    82    87    90    83    84    85    86    69    59    54    55    60    61  
   51    52    62    68    81    83    54  
   52    53    56    57    58    62    68    81    83    59    64    54    55    60    61    66  
   53    56    57    58    62    63    68    69    59    64    65    73    54    55    60    61  
   56    57    58    62    59    64    54  
   55    60    61    66    67    77    56    59    68  
   60    61    66  
   57    58    62    63    68    81    83    69    70    71    72    59    64  
   58    62    63    68    69    59  
   62    63    68    69    59  
   64    65    73    74    75    76    62  
   61    66  
   66    67    77    78    79    80  
   63    68    81    82    87    90    83    84    85    86    69    70    71    72  
   68    81    83    69    70    71    72  
   65    73    74    75    76  
   73    74    75    76  
   67    77    78    79    80  
   77    78    79    80  
   81    82    87    88    89    91    98    90    83    84    85    86    69    70    71    72  
   70    71    72    81    83  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    87    88    89    91    92    93    97    98    99    90    83    84    85    86  
   87    88    89    91    98    90    83  
   84    85    86    87    90  
   85    86  
   86  
    0  
   88    89    91    92    93    94    95    97    98    99    90  
   89    91    92    93    98    90  
   91    92    93    98    90  
   91    92    93    95    97    98    99  
   92    93    94    95    96    97    98    99  
   93    94    95    97    98    99  
   94    95    96    97    98    99  
   95    96    97    98  
   96    97    98    99  
   97    98  
   98    99  
   99  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    60   320.000  1.410
   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   268.000  1.529
   49    68   268.000  1.529
   51    52   268.000  1.529
   51    54   250.000  1.527
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    81   268.000  1.529
   68    83   268.000  1.529
   81    82   340.000  1.090
   81    87   268.000  1.529
   81    90   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    93   317.000  1.510
   91    98   250.000  1.527
   93    94   340.000  1.080
   93    95   549.000  1.340
   95    96   340.000  1.080
   95    97   440.000  1.360
   97    98   320.000  1.380
   98    99   340.000  1.090
   98    90   320.000  1.380
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    64   214.000  1.327
   64    65   570.000  1.229
   64    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   54    55   340.000  1.090
   54    60   320.000  1.380
   54    61   320.000  1.380
   61    66   214.000  1.327
   66    67   570.000  1.229
   66    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    51    49    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    54    75.00000  109.43000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    60    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    60    54    60.00000  109.50000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    68    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    51    52    58.35000  112.70000
   49    51    54    75.00000  109.43000
   49    68    62    58.35000  112.70000
   49    68    81    58.35000  112.70000
   49    68    83    58.35000  112.70000
   51    33    37    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    56    58.35000  112.70000
   51    52    59    50.00000  109.50000
   51    54    55    45.00000  112.01100
   51    54    60    90.00000  108.56700
   51    54    61    90.00000  108.56700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    59    64    83.00000  116.90000
   56    52    53    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    68    58.35000  112.70000
   56    62    69    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    68    81    58.35000  112.70000
   62    68    83    58.35000  112.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    49    50    37.50000  110.70000
   68    49    51    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    81    82    37.50000  110.70000
   68    81    87    58.35000  112.70000
   68    81    90    50.00000  109.50000
   68    83    84    37.50000  110.70000
   68    83    85    37.50000  110.70000
   68    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    91    58.35000  112.70000
   81    90    98    60.00000  109.50000
   87    81    82    37.50000  110.70000
   87    91    92    37.50000  110.70000
   87    91    93    70.00000  112.02700
   87    91    98    75.00000  109.43000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    93    94    35.00000  117.00000
   91    93    95    70.00000  124.00000
   91    98    97    90.00000  108.56700
   91    98    99    45.00000  112.01100
   91    98    90    90.00000  108.56700
   93    91    92    35.00000  109.50000
   93    95    96    35.00000  120.00000
   93    95    97    80.00000  120.01400
   95    93    94    35.00000  120.00000
   95    97    98    85.00000  113.97000
   97    95    96    55.00000  109.52600
   97    98    99    35.00000  109.50000
   97    98    90    92.60000  111.55000
   98    91    92    45.00000  108.72000
   98    91    93    70.00000  112.02700
   90    81    82    35.00000  109.50000
   90    81    87    50.00000  109.50000
   90    98    99    35.00000  109.50000
   83    68    81    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    56    50.00000  109.50000
   59    64    65    83.00000  123.40000
   59    64    73    81.00000  111.40000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   73    64    65    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   54    51    52    75.00000  109.43000
   54    61    66    95.00000  111.08000
   60    44    45    35.00000  109.50000
   60    44    46    50.00000  109.50000
   60    54    55    35.00000  109.50000
   61    54    55    35.00000  109.50000
   61    54    60    92.60000  111.55000
   61    66    67    83.00000  123.40000
   61    66    77    81.00000  111.40000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   77    66    67    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    45.00000  125.66300
   43    40    41    45.00000  125.66300
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
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   60    54    61    66  -1.83450  1.0 1.0
   60    54    61    66  -0.02700 -1.0 2.0
   60    54    61    66  -0.20100  1.0 3.0
   61    54    60    44  -0.81800  1.0 1.0
   61    66    77    78   0.00000  1.0 1.0
   61    66    77    79   0.00000  1.0 1.0
   61    66    77    80   0.00000  1.0 1.0
   67    66    77    78   0.00000  1.0 1.0
   67    66    77    79   0.00000  1.0 1.0
   67    66    77    80   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    51    49   0.56750  1.0 1.0
   40    33    51    49  -0.07550 -1.0 2.0
   40    33    51    49   0.20000  1.0 3.0
   40    33    51    52   0.56750  1.0 1.0
   40    33    51    52  -0.07550 -1.0 2.0
   40    33    51    52   0.20000  1.0 3.0
   40    33    51    54   3.97050  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   91    94    93    95   1.10000 -1.0 2.0
   97    96    95    93   1.10000 -1.0 2.0
   59    73    64    65  10.50000 -1.0 2.0
   61    77    66    67  10.50000 -1.0 2.0
END
