* LIGAND DATABASE FILE (OPLS2005)
*
001      96   101    199    330     591
    1     0 S   NP   _N1_     1    28.69751    94.48159   -23.98095
    2     1 S   H    _HN1     2     1.02951    82.52449    21.66963
    3     1 S   H    _H1_     3     1.02829    27.48585   175.04220
    4     1 S   H    _H2_     4     1.02783   105.23963   -85.39227
    5     1 S   CT   _CA1     5     1.50109   132.89071   132.64693
    6     5 S   HC   _HA1     6     1.09572   105.21723    78.65122
    7     5 S   CO3  _C1_     7     1.53803   112.43031   -41.60622
    8     7 S   O2Z  _O11     8     1.26371   115.00910   -43.09832
    9     7 S   O2Z  _O12     9     1.26240   114.94935   136.07448
   10     5 S   CT   _CB1    10     1.53088   107.42801  -163.36180
   11    10 S   HC   HB11    11     1.09829   109.41226   -49.86121
   12    10 S   HC   HB12    12     1.09815   110.42490    66.75319
   13    10 S   CT   _CG1    13     1.52979   112.58748  -170.86176
   14    13 S   HC   HG11    14     1.09590   110.56585   -64.35225
   15    13 S   HC   HG12    15     1.09666   109.85612    54.87018
   16    13 S   C    _CD1    16     1.51795   112.31042   175.32815
   17    16 S   O    _OE1    17     1.22721   123.32124     3.57610
   18    16 S   N    _N2_    18     1.38636   111.59472  -176.53722
   19    18 S   H    _HN2    19     1.01582   118.93949     1.96722
   20    18 S   CT1  _CA2    20     1.46221   123.43747   178.62826
   21    20 S   HC   _HA2    21     1.09736   109.43863    -0.49496
   22    20 S   C    _C2_    22     1.53494   108.44466  -116.01958
   23    22 S   O    _O2_    23     1.23044   122.34132  -147.17049
   24    20 S   CT   _CB2    32     1.53498   111.43346   121.59674
   25    24 S   HC   HB21    33     1.09299   109.35440    56.83508
   26    24 S   HC   HB22    34     1.09435   109.62253   175.51105
   27    22 S   N    _N3_    24     1.38349   113.61069    40.23588
   28    27 S   H    _HN3    25     1.01604   119.56692    -3.41117
   29    24 S   S    _SG2    35     1.83020   110.94832   -65.34067
   30    27 S   CT   _CA3    26     1.45286   123.15090   177.07076
   31    30 S   HC   HA31    27     1.09551   107.50992   -64.31814
   32    30 S   HC   HA32    28     1.09558   107.97291    52.10213
   33    29 S   CT   _C24    36     1.89349   103.35160   165.15262
   34    30 S   CO3  _C3_    29     1.52945   114.11970   174.09319
   35    34 S   O2Z  _O31    30     1.26370   116.07121    -0.93209
   36    34 S   O2Z  _O32    31     1.26431   114.40874   179.13137
   37    33 S   CT   _C8_    37     1.54509   108.81185    49.94329
   38    37 S   HC   _H34    38     1.09444   112.38960   -58.66151
   39    37 S   HC   _H35    39     1.09104   111.95253  -177.08946
   40    33 S   CT   _C14    54     1.55775   106.22848   -69.19347
   41    40 S   HC   _H46    55     1.09555   110.09250    66.48789
   42    40 S   HC   _H47    56     1.09893   109.18419   -48.92231
   43    37 S   CO4  _C4_    40     1.50866   112.01988    64.98763
   44    43 S   O    _O25    41     1.22954   121.86338  -129.13655
   45    43 S   CT   _C7_    42     1.50459   116.02257    55.73703
   46    45 S   HC   _H32    43     1.09280   108.52275    73.97808
   47    45 S   HC   _H33    44     1.09588   108.71480  -169.82262
   48    45 S   CT   _C10    45     1.52337   110.77735   -49.66924
   49    48 S   HC   _H38    46     1.09514   108.90364   173.74919
   50    48 S   HC   _H39    47     1.09898   106.52792   -74.20512
   51    33 S   CT   _C20    48     1.59759   109.54819   170.29346
   52    51 S   C3T  _C23    49     1.55501   108.85272   166.06272
   53    51 S   CT   _C25    93     1.56196   113.03756    48.62970
   54    53 S   HC   _H54    94     1.09343   112.63766    50.54196
   55    53 S   HC   _H55    95     1.09491   112.60244   -70.79980
   56    53 S   HC   _H56    96     1.09664   110.46905   170.31190
   57    52 S   CT   _C18    50     1.52635   116.02465   -53.31543
   58    57 S   HC   _H52    51     1.09735   106.10439   -58.94993
   59    52 S   C3T  _C19    86     1.53830   121.30597   152.93503
   60    59 S   HC   _H53    87     1.07901   121.35983     1.99243
   61    57 S   CT   _C16    52     1.53970   112.20284    54.97491
   62    61 S   HC   _H50    53     1.10079   106.00049  -165.73172
   63    57 S   CT   _C17    64     1.54138   112.51417  -173.70714
   64    63 S   HC   _H51    65     1.09738   108.88213   -69.84265
   65    52 S   O3T  _O29    88     1.42656   115.56102    86.46862
   66    61 S   CO4  _C6_    57     1.52778   116.39730    79.34251
   67    66 S   O    _O27    58     1.22236   125.95413   -15.08240
   68    63 S   CT   _C12    66     1.53001   115.76030   169.54084
   69    68 S   HC   _H42    67     1.09520   111.21060    85.67266
   70    68 S   HC   _H43    68     1.09593   111.73239   -34.25590
   71    66 S   OS   _O30    59     1.36810   109.18439   164.36861
   72    68 S   CT   _C13    69     1.53503   105.52114  -153.56902
   73    72 S   HC   _H44    70     1.09685   110.06293   122.53763
   74    72 S   HC   _H45    71     1.09550   110.24693  -120.61714
   75    71 S   CT   _C27    60     1.43058   115.30936   179.63043
   76    75 S   HC   _H60    61     1.09324   108.09791  -179.46405
   77    75 S   HC   _H61    62     1.09417   110.27317    61.83990
   78    75 S   HC   _H62    63     1.09426   110.27577   -60.79880
   79    72 S   CT   _C22    72     1.55192   106.62126     1.89103
   80    79 S   CT   _C11    73     1.52581   111.21831  -101.74009
   81    80 S   HC   _H40    74     1.09426   111.78662   163.47972
   82    80 S   HC   _H41    75     1.09385   114.35792    40.35278
   83    63 S   CT   _C21    82     1.54776   113.29042    49.33604
   84    80 S   CT   _C9_    76     1.51463   102.70519   -82.26908
   85    84 S   HC   _H36    77     1.09253   111.43293  -149.74666
   86    84 S   HC   _H37    78     1.09315   112.34624    85.52471
   87    83 S   CT   _C15    83     1.53920   108.16112   -66.58878
   88    87 S   HC   _H48    84     1.09410   111.79897   -68.89805
   89    87 S   HC   _H49    85     1.09663   110.17009   173.20967
   90    83 S   CT   _C26    89     1.55471   113.54621    53.14406
   91    90 S   HC   _H57    90     1.09428   112.50604    56.00942
   92    90 S   HC   _H58    91     1.09352   112.47843   -65.01796
   93    90 S   HC   _H59    92     1.09616   110.72663   176.18392
   94    84 S   CO4  _C5_    79     1.49866   101.71477   -31.36473
   95    94 S   O    _O26    80     1.22086   125.54581  -163.93253
   96    79 S   OS   _O28    81     1.43523   109.79230   145.07186
  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
  24   2   1   1  15   6   5  15   6   5   8   4   8   5   4  11
   4   3  13  19   6   2   1   1  19   9  10   5  10   4  20   8
   4   6   2  11   6   5   4  12   5   4   3   2   1   1  17  11
   7   6  10   5   4   3   7   2   1   4   2   1   1   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    43    48    51    52    61    40    41    42    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    48    49    50    51    52    57    61    62    40    41    42    66    59    65    53    54    55    56  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    51    52    61    40    41    42    53  
   39    43    44    45    51    40  
   43    44    45    51    40  
   41    42    66    67    71    63    53    43    48    51    52    57    58    61    62  
   42    66    51    57    61    62  
   66    51    57    61    62  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48    49    50    51    52    53  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    57    59    65    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    57    58    61    63    87    59    60    65    53    54    55    56  
   57    58    61    62    66    63    64    68    83    87    88    89    59    60    65    53    54    55    56  
   54    55    56    57    59    65  
   55    56  
   56  
    0  
   58    61    62    66    67    71    63    64    68    69    70    72    79    83    87    59    60    65    90  
   61    62    66    63    64    68    83    59    65  
   60    65    90    61    63    79    83    87    88    89  
   65    83    87    88    89  
   62    66    67    71    75    63    64    68    83    65  
   66    67    71    63  
   64    68    69    70    72    73    74    79    80    96    83    87    88    89    65    90    91    92    93    66  
   68    69    70    72    79    83    87    90  
   83    87    88    89  
   67    71    75    76    77    78  
   71    75  
   69    70    72    73    74    79    80    96    83    87    90  
   70    72    73    74    79    83  
   72    73    74    79    83  
   75    76    77    78  
   73    74    79    80    81    82    84    94    96    83    87    90  
   74    79    80    96    83  
   79    80    96    83  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    84    85    86    94    95    96    83    87    88    89    90    91    92    93  
   81    82    84    85    86    94    95    96    83    87    90  
   82    84    85    86    94    96    83  
   84    85    86    94    96    83  
   87    88    89    90    91    92    93    84    94    96  
   85    86    94    95    96  
   86    94    95    96  
   94    95    96  
   88    89    90    91    92    93    96  
   89    90  
   90  
   91    92    93    96  
   92    93  
   93  
    0  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   275.000  1.510
   51    53   268.000  1.529
   52    57   275.000  1.510
   52    59   260.000  1.509
   52    65   335.000  1.432
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   268.000  1.529
   61    62   340.000  1.090
   61    40   268.000  1.529
   61    66   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   66    67   570.000  1.229
   66    71   214.000  1.327
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    83   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   268.000  1.529
   79    80   268.000  1.529
   79    96   320.000  1.410
   79    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    94   317.000  1.522
   94    95   570.000  1.229
   94    96   214.000  1.327
   83    87   268.000  1.529
   83    90   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    59   275.000  1.510
   59    60   340.000  1.088
   59    65   335.000  1.432
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    43    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    70.00000  112.37300
   33    51    53    58.35000  112.70000
   33    40    61    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    70.00000  112.37300
   48    51    53    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    57    58.35000  112.70000
   51    52    59    60.00000  120.94000
   51    52    65    80.00000  116.47100
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   52    57    58    45.00000  109.38400
   52    57    61    70.00000  112.37300
   52    57    63    70.00000  112.37300
   52    59    87    60.00000  120.94000
   52    59    60    37.50000  117.20000
   52    59    65    15.00000   60.43100
   52    65    59    15.00000   59.14900
   57    61    62    37.50000  110.70000
   57    61    40    58.35000  112.70000
   57    61    66    63.00000  111.10000
   57    63    64    37.50000  110.70000
   57    63    68    58.35000  112.70000
   57    63    83    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    40    41    37.50000  110.70000
   61    40    42    37.50000  110.70000
   61    66    67    80.00000  120.40000
   61    66    71    81.00000  111.40000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    61    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    40    63.00000  111.10000
   66    71    75    83.00000  116.90000
   71    66    67    83.00000  123.40000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    61    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    72    58.35000  112.70000
   63    83    79    58.35000  112.70000
   63    83    87    58.35000  112.70000
   63    83    90    58.35000  112.70000
   68    63    64    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    79    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    79    80    58.35000  112.70000
   72    79    96    50.00000  109.50000
   72    79    83    58.35000  112.70000
   74    72    73    33.00000  107.80000
   79    72    73    37.50000  110.70000
   79    72    74    37.50000  110.70000
   79    80    81    37.50000  110.70000
   79    80    82    37.50000  110.70000
   79    80    84    58.35000  112.70000
   79    96    94    83.00000  116.90000
   79    83    87    58.35000  112.70000
   79    83    90    58.35000  112.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    94    63.00000  111.10000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    94    95    80.00000  120.40000
   84    94    96    81.00000  111.40000
   86    84    85    33.00000  107.80000
   94    84    85    35.00000  109.50000
   94    84    86    35.00000  109.50000
   96    79    80    50.00000  109.50000
   96    94    95    83.00000  123.40000
   83    63    64    37.50000  110.70000
   83    63    68    58.35000  112.70000
   83    79    80    58.35000  112.70000
   83    79    96    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    59    70.00000  112.37300
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    37.50000  110.70000
   87    59    60    40.00000  115.04500
   87    59    65    80.00000  116.47100
   89    87    88    33.00000  107.80000
   59    52    57    60.00000  120.94000
   59    87    88    45.00000  109.38400
   59    87    89    45.00000  109.38400
   65    52    57    80.00000  116.47100
   65    52    59    15.00000   60.43100
   65    59    60    50.00000  114.27700
   90    83    87    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   53    51    52    70.00000  112.37300
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
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   87    59   -65    52   0.06250  1.0 1.0
   87    59   -65    52  -0.01100 -1.0 2.0
   87    59   -65    52   0.28050  1.0 3.0
   88    87    59    52   0.15000  1.0 3.0
   88    87    59    60   0.15000  1.0 3.0
   88    87    59    65   0.23400  1.0 3.0
   89    87    59    52   0.15000  1.0 3.0
   89    87    59    60   0.15000  1.0 3.0
   89    87    59    65   0.23400  1.0 3.0
   59    52    57    58   0.15000  1.0 3.0
   59    52    57    61   0.07850  1.0 1.0
   59    52    57    61  -0.03950 -1.0 2.0
   59    52    57    61   0.67350  1.0 3.0
   59    52   -57    63   0.07850  1.0 1.0
   59    52   -57    63  -0.03950 -1.0 2.0
   59    52   -57    63   0.67350  1.0 3.0
   60    59   -65    52   0.36800  1.0 3.0
   65    52    57    58   0.23400  1.0 3.0
   65    52    57    61   0.02550  1.0 1.0
   65    52    57    61  -0.02600 -1.0 2.0
   65    52    57    61   1.20400  1.0 3.0
   65    52    57    63   0.02550  1.0 1.0
   65    52    57    63  -0.02600 -1.0 2.0
   65    52    57    63   1.20400  1.0 3.0
   65    52   -59    87   0.02550  1.0 1.0
   65    52   -59    87  -0.02600 -1.0 2.0
   65    52   -59    87   1.20400  1.0 3.0
   65    52   -59    60   0.23400  1.0 3.0
   90    83    87    88   0.15000  1.0 3.0
   90    83    87    89   0.15000  1.0 3.0
   90    83    87    59   0.47050  1.0 1.0
   90    83    87    59   0.03900 -1.0 2.0
   90    83    87    59   0.20100  1.0 3.0
   53    51    52    57   0.56750  1.0 1.0
   53    51    52    57  -0.07550 -1.0 2.0
   53    51    52    57   0.20000  1.0 3.0
   53    51    52    59   0.07850  1.0 1.0
   53    51    52    59  -0.03950 -1.0 2.0
   53    51    52    59   0.67350  1.0 3.0
   53    51    52    65   0.02550  1.0 1.0
   53    51    52    65  -0.02600 -1.0 2.0
   53    51    52    65   1.20400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   61    71    66    67  10.50000 -1.0 2.0
   84    96    94    95  10.50000 -1.0 2.0
END
