* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    197    310     584
    1     0 S   NP   _N1_     1    28.76122    94.59202   -20.14190
    2     1 S   H    _HN1     2     1.02773    85.58797   -61.95711
    3     1 S   H    _H1_     3     1.02970    93.94913    46.16320
    4     1 S   H    _H2_     4     1.02825    31.77764   162.63775
    5     1 S   CT   _CA1     5     1.50184   141.93006   176.83770
    6     5 S   HC   _HA1     6     1.09582   105.16175    51.23183
    7     5 S   CO3  _C1_     7     1.53758   112.47087   -68.69503
    8     7 S   O2Z  _O11     8     1.26340   115.00442   -39.93031
    9     7 S   O2Z  _O12     9     1.26243   114.93714   139.01466
   10     5 S   CT   _CB1    10     1.53061   107.30930   168.96447
   11    10 S   HC   HB11    11     1.09815   109.04833   -51.51511
   12    10 S   HC   HB12    12     1.09825   110.43829    64.90040
   13    10 S   CT   _CG1    13     1.53014   112.88770  -172.81935
   14    13 S   HC   HG11    14     1.09608   110.18317   -66.34227
   15    13 S   HC   HG12    15     1.09639   110.20207    52.89833
   16    13 S   C    _CD1    16     1.51837   112.24244   172.89419
   17    16 S   O    _OE1    17     1.22747   123.17936   -10.44184
   18    16 S   N    _N2_    18     1.38619   111.75642   170.40298
   19    18 S   H    _HN2    19     1.01589   119.09053     0.12972
   20    18 S   CT1  _CA2    20     1.46312   123.33804  -178.11633
   21    20 S   HC   _HA2    21     1.09740   109.30860   -13.83363
   22    20 S   C    _C2_    22     1.53430   108.60324  -129.53835
   23    22 S   O    _O2_    23     1.23021   122.21298  -148.10464
   24    20 S   CT   _CB2    32     1.53616   111.23456   108.14959
   25    24 S   HC   HB21    33     1.09254   108.98492    57.57929
   26    24 S   HC   HB22    34     1.09499   110.24934   175.48265
   27    22 S   N    _N3_    24     1.38505   113.38353    39.43896
   28    27 S   H    _HN3    25     1.01537   118.81631    -1.12917
   29    24 S   S    _SG2    35     1.83131   110.82062   -65.82920
   30    27 S   CT   _CA3    26     1.45455   123.65985   175.10223
   31    30 S   HC   HA31    27     1.09508   109.46053    19.49847
   32    30 S   HC   HA32    28     1.09501   107.06242   136.53851
   33    29 S   CT   _C21    36     1.92660   104.07156   151.52582
   34    30 S   CO3  _C3_    29     1.52913   112.98610  -104.13526
   35    34 S   O2Z  _O31    30     1.26411   115.36748   -45.06424
   36    34 S   O2Z  _O32    31     1.26348   115.00703   135.83675
   37    33 S   CT   _C20    37     1.55994   107.76515    46.59903
   38    37 S   HC   _H25    38     1.09553   111.24561   -58.32124
   39    37 S   HC   _H26    39     1.09432   110.53204  -172.63239
   40    33 S   CT   _C22    97     1.60203   103.51190   -71.03548
   41    40 S   OM   _O35    98     1.32399   111.45811   169.87214
   42    40 S   HC   _H27    99     1.09886   106.76974    44.62277
   43    40 S   HC   _H28   100     1.09743   106.22666   -60.50621
   44    37 S   CT   _C19    40     1.52160   114.96014    65.73960
   45    44 S   HC   _H23    41     1.09602   110.29402   -71.03847
   46    44 S   HC   _H24    42     1.09700   108.95061   173.32012
   47    44 S   CT   _C18    43     1.52338   113.33354    51.82160
   48    47 S   HC   _H21    44     1.09157   110.08972    70.68543
   49    47 S   HC   _H22    45     1.09089   105.77514  -177.13106
   50    47 S   CT   _C9_    46     1.55029   112.48689   -54.32778
   51    50 S   HC   _H5_    47     1.09786   104.53470   -54.54434
   52    50 S   CT   _C10    48     1.61421   114.22201  -164.56507
   53    52 S   CT   _C5_    49     1.58161   107.81557  -179.41919
   54    53 S   HC   _H3_    50     1.09890   107.67408   -65.96894
   55    52 S   CT   _C12    78     1.59334   108.09851    62.18605
   56    55 S   HC   _H6_    79     1.09041   109.39689   -38.45967
   57    52 S   CT   _C11    93     1.54419   111.39059   -55.72854
   58    57 S   HC   _H14    94     1.09421   112.05260   173.66667
   59    57 S   HC   _H15    95     1.09426   111.60658    54.46975
   60    57 S   HC   _H16    96     1.08671   113.39003   -67.88779
   61    53 S   CT   _C6_    51     1.52997   113.57148    49.68233
   62    61 S   HC   _H12    52     1.09465   111.57976    66.51649
   63    61 S   HC   _H13    53     1.09876   109.09545  -179.32045
   64    53 S   CT   _C4_    74     1.53415   116.08481   175.97615
   65    64 S   HC   _H9_    75     1.09310   112.35703   -53.81577
   66    64 S   HC   _H10    76     1.09648   110.79654  -173.58617
   67    64 S   HC   _H11    77     1.09171   111.35240    69.35766
   68    55 S   CT   _C13    80     1.52874   119.46710  -159.20776
   69    68 S   HC   _H17    81     1.09546   112.06533    79.51086
   70    68 S   HC   _H18    82     1.09035   112.46245   -41.24959
   71    55 S   OS   _O34    92     1.43875   111.45732    77.31620
   72    61 S   CT   _C7_    54     1.53242   111.89619   -60.04135
   73    72 S   HC   _H4_    55     1.09371   107.07372   -59.47843
   74    68 S   CT   _C14    83     1.51403   103.52154  -158.29857
   75    74 S   HC   _H7_    84     1.09487   112.42381   147.74368
   76    33 S   CT   _C8_    56     1.66349   107.38131   165.42186
   77    72 S   OS   _O38    67     1.44632   107.09070  -176.17172
   78    74 S   CM   _C15    85     1.48440   115.72226   -84.97796
   79    78 S   HC   _H19    86     1.07892   125.79077   -63.00538
   80    76 S   CT   _C23    57     1.57718   110.60828   171.19177
   81    80 S   HC   _H29    58     1.09402   110.67683   -62.06652
   82    80 S   HC   _H30    59     1.08681   111.29363  -177.43922
   83    77 S   CO4  _C26    68     1.36330   118.09739    85.48465
   84    83 S   O    _O39    69     1.22347   126.54523    -0.06853
   85    78 S   CM   _C16    87     1.32681   108.47968   119.39383
   86    85 S   HC   _H20    88     1.07554   128.50438   177.64898
   87    80 S   OS   _O36    60     1.42948   114.42827    60.53527
   88    83 S   CT   _C27    70     1.49845   109.47911   178.80450
   89    88 S   HC   _H34    71     1.09239   109.71491   -76.32497
   90    88 S   HC   _H35    72     1.09345   109.27288   163.64237
   91    88 S   HC   _H36    73     1.09346   110.09368    45.43171
   92    85 S   OS   _O33    89     1.37667   116.46726    -1.48359
   93    87 S   CO4  _C24    61     1.36188   116.24645   179.20230
   94    93 S   O    _O37    62     1.22336   126.48881    -1.73427
   95    74 S   CO   _C17    90     1.53026   104.23794    25.18806
   96    95 S   HC   _H8_    91     1.09529   112.23610   108.63268
   97    93 S   CT   _C25    63     1.49829   109.37457   178.62941
   98    97 S   HC   _H31    64     1.09298   109.81688   -60.13177
   99    97 S   HC   _H32    65     1.09373   109.38015  -179.15004
  100    97 S   HC   _H33    66     1.09292   109.79836    61.71660
  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
  23   2   1   1  16   7   6   8   3   2   1   9   5   4  11   5
   4  22   7  24  20  10  18   7   8   2   1   1  12   6   5   4
   2   1   1  11   6   5   7  10   4   8   6   7   7   6   4   6
   3   2   5   4   4   2   6   3   2   1   1   2   5   4   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    76    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    50    72    76    80    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    50    51    52    61    72    73    76    80    81    82    87    77    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    50    72    76    80    40    41    42    43  
   39    44    45    46    47    76    40  
   44    45    46    47    76    40  
   41    42    43    44    50    72    76    80  
   42    43    76  
   43    76  
   76  
   45    46    47    48    49    50    51    52    76  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    72    76    80    55    57  
   49    50    51    52    76  
   50    51    52    76  
   51    52    53    54    61    72    73    76    80    81    82    87    77    64    55    56    68    71    57    58    59    60  
   52    53    72    76    80    55    57  
   53    54    61    62    63    72    76    80    64    65    66    67    55    56    68    69    70    74    95    71    57    58    59    60  
   54    61    62    63    72    73    76    77    64    65    66    67    55    56    68    71    57    58    59    60  
   61    62    63    72    64    65    66    67    55    57  
   56    68    69    70    74    75    78    92    95    96    71    57    58    59    60    61    64    76  
   68    69    70    74    95    71    57  
   58    59    60    61    64    68    71    76  
   59    60  
   60  
    0  
   62    63    72    73    76    80    77    83    64    65    66    67  
   63    72    73    76    77    64  
   72    73    76    77    64  
   65    66    67    72  
   66    67  
   67  
    0  
   69    70    74    75    78    79    85    92    95    96    71  
   70    74    75    78    95    71  
   74    75    78    95    71  
   74    75    78    85    92    95    96  
   73    76    80    81    82    87    77    83    84    88  
   76    80    77    83  
   75    78    79    85    86    92    95    96  
   78    79    85    92    95    96  
   80    81    82    87    93    77    83  
   83    84    88    89    90    91    80  
   79    85    86    92    95    96  
   85    86    92    95  
   81    82    87    93    94    97  
   82    87    93  
   87    93  
   84    88    89    90    91  
   88    89    90    91  
   86    92    95    96  
   92    95  
   93    94    97    98    99   100  
   89    90    91  
   90    91  
   91  
    0  
   95    96  
   94    97    98    99   100  
   97    98    99   100  
   96  
    0  
   98    99   100  
   99   100  
  100  
    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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   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    76   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   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    76   268.000  1.529
   52    53   268.000  1.529
   52    55   268.000  1.529
   52    57   268.000  1.529
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    72   268.000  1.529
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    77   320.000  1.410
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    93   214.000  1.327
   93    94   570.000  1.229
   93    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   77    83   214.000  1.327
   83    84   570.000  1.229
   83    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    56   340.000  1.090
   55    68   268.000  1.529
   55    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    78   317.000  1.510
   74    95   250.000  1.527
   78    79   340.000  1.080
   78    85   549.000  1.340
   85    86   340.000  1.080
   85    92   440.000  1.360
   92    95   320.000  1.380
   95    96   340.000  1.090
   95    71   320.000  1.380
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    76    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    76    50    58.35000  112.70000
   33    76    72    58.35000  112.70000
   33    76    80    58.35000  112.70000
   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    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    76    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    58.35000  112.70000
   50    52    55    58.35000  112.70000
   50    52    57    58.35000  112.70000
   50    76    72    58.35000  112.70000
   50    76    80    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    61    58.35000  112.70000
   52    53    64    58.35000  112.70000
   52    55    56    37.50000  110.70000
   52    55    68    58.35000  112.70000
   52    55    71    50.00000  109.50000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    72    58.35000  112.70000
   53    64    65    37.50000  110.70000
   53    64    66    37.50000  110.70000
   53    64    67    37.50000  110.70000
   61    53    54    37.50000  110.70000
   61    72    73    37.50000  110.70000
   61    72    76    58.35000  112.70000
   61    72    77    50.00000  109.50000
   63    61    62    33.00000  107.80000
   72    61    62    37.50000  110.70000
   72    61    63    37.50000  110.70000
   72    76    80    58.35000  112.70000
   72    77    83    83.00000  116.90000
   76    33    37    58.35000  112.70000
   76    50    51    37.50000  110.70000
   76    50    52    58.35000  112.70000
   76    72    73    37.50000  110.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    87    50.00000  109.50000
   80    87    93    83.00000  116.90000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    93    94    83.00000  123.40000
   87    93    97    81.00000  111.40000
   93    97    98    35.00000  109.50000
   93    97    99    35.00000  109.50000
   93    97   100    35.00000  109.50000
   97    93    94    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    76    50.00000  109.50000
   77    83    84    83.00000  123.40000
   77    83    88    81.00000  111.40000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   88    83    84    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    61    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    52    53    58.35000  112.70000
   55    68    69    37.50000  110.70000
   55    68    70    37.50000  110.70000
   55    68    74    58.35000  112.70000
   55    71    95    60.00000  109.50000
   68    55    56    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    70.00000  112.02700
   68    74    95    75.00000  109.43000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    78    79    35.00000  117.00000
   74    78    85    70.00000  124.00000
   74    95    92    90.00000  108.56700
   74    95    96    45.00000  112.01100
   74    95    71    90.00000  108.56700
   78    74    75    35.00000  109.50000
   78    85    86    35.00000  120.00000
   78    85    92    80.00000  120.01400
   85    78    79    35.00000  120.00000
   85    92    95    85.00000  113.97000
   92    85    86    55.00000  109.52600
   92    95    96    35.00000  109.50000
   92    95    71    92.60000  111.55000
   95    74    75    45.00000  108.72000
   95    74    78    70.00000  112.02700
   71    55    56    35.00000  109.50000
   71    55    68    50.00000  109.50000
   71    95    96    35.00000  109.50000
   57    52    53    58.35000  112.70000
   57    52    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    76    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    76   0.01700  1.0 1.0
   24    29    33    76  -0.23550 -1.0 2.0
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   40    33    76    50  -0.07550 -1.0 2.0
   40    33    76    50   0.20000  1.0 3.0
   40    33    76    72   0.56750  1.0 1.0
   40    33    76    72  -0.07550 -1.0 2.0
   40    33    76    72   0.20000  1.0 3.0
   40    33    76    80   0.56750  1.0 1.0
   40    33    76    80  -0.07550 -1.0 2.0
   40    33    76    80   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   87    97    93    94  10.50000 -1.0 2.0
   77    88    83    84  10.50000 -1.0 2.0
   74    79    78    85   1.10000 -1.0 2.0
   92    86    85    78   1.10000 -1.0 2.0
END
