* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    249     493
    1     0 S   NP   _N1_     1    28.89184    92.50889   -20.50982
    2     1 S   H    _HN1     2     1.02840    23.76591   126.42352
    3     1 S   H    _H1_     3     1.02783    87.55523   -84.38536
    4     1 S   H    _H2_     4     1.02960   103.09139    23.84099
    5     1 S   CT   _CA1     5     1.50133   131.90221   157.53374
    6     5 S   HC   _HA1     6     1.09564   105.24682    46.41084
    7     5 S   CO3  _C1_     7     1.53804   112.38298   -73.88665
    8     7 S   O2Z  _O11     8     1.26425   115.04581   -42.17885
    9     7 S   O2Z  _O12     9     1.26223   114.93672   137.25049
   10     5 S   CT   _CB1    10     1.53108   107.43301   164.45241
   11    10 S   HC   HB11    11     1.09820   109.42576   -48.81023
   12    10 S   HC   HB12    12     1.09836   110.31434    67.73786
   13    10 S   CT   _CG1    13     1.53074   112.82039  -169.92952
   14    13 S   HC   HG11    14     1.09551   110.39866   -60.66310
   15    13 S   HC   HG12    15     1.09622   110.16741    58.53002
   16    13 S   C    _CD1    16     1.51862   112.04272   178.64723
   17    16 S   O    _OE1    17     1.22740   123.11784   -12.02543
   18    16 S   N    _N2_    18     1.38609   111.83291   168.46995
   19    18 S   H    _HN2    19     1.01584   119.03831     1.79046
   20    18 S   CT1  _CA2    20     1.46408   123.38766  -177.06335
   21    20 S   HC   _HA2    21     1.09730   109.37516   -16.05034
   22    20 S   C    _C2_    22     1.53355   108.22388  -131.88235
   23    22 S   O    _O2_    23     1.23001   122.28811  -145.03236
   24    20 S   CT   _CB2    32     1.53636   111.20821   106.09057
   25    24 S   HC   HB21    33     1.09351   108.81294    54.96269
   26    24 S   HC   HB22    34     1.09484   110.83490   173.75484
   27    22 S   N    _N3_    24     1.38519   113.29056    42.25225
   28    27 S   H    _HN3    25     1.01534   118.92363    -0.43745
   29    24 S   S    _SG2    35     1.82636   111.25562   -66.43863
   30    27 S   CT   _CA3    26     1.45454   123.41645   175.13192
   31    30 S   HC   HA31    27     1.09525   109.20166    24.95793
   32    30 S   HC   HA32    28     1.09494   107.12637   141.96113
   33    29 S   CT   _C25    36     1.82729   101.17118   167.94414
   34    33 S   HC   _H3_    37     1.09635   107.68397    63.37653
   35    33 S   HC   _H4_    38     1.09590   107.41965   176.70236
   36    30 S   CO3  _C3_    29     1.52932   113.15352   -98.49288
   37    36 S   O2Z  _O31    30     1.26399   115.42440   -43.85223
   38    36 S   O2Z  _O32    31     1.26357   114.96819   137.08824
   39    33 S   CT   _C17    39     1.52676   115.46486   -59.83114
   40    39 S   HC   _H39    40     1.09849   108.20082    71.27007
   41    39 S   CO4  _C8_    41     1.50455   112.61619  -174.32515
   42    41 S   O    _O23    42     1.22061   126.39684   -27.02537
   43    41 S   OS   _O26    43     1.36466   109.18688   156.50599
   44    43 S   CT   _C14    44     1.44000   110.76151    -9.22405
   45    44 S   HC   _H36    45     1.08636   105.21409  -130.51836
   46    44 S   CM   _C5_    46     1.50974   109.43179   110.02458
   47    46 S   HC   _H32    47     1.08981   114.06394   -56.14271
   48    39 S   CT   _C18    61     1.53743   119.78142   -53.71899
   49    48 S   HC   _H40    62     1.09797   108.00085    85.76067
   50    46 S   CM   _C7_    48     1.35265   128.39210   126.83310
   51    50 S   CT   _C16    49     1.52999   127.29349    -4.44612
   52    51 S   HC   _H38    50     1.09872   107.00070  -156.60365
   53    50 S   CT   _C21    90     1.51008   119.06356   176.08749
   54    53 S   HC   _H45    91     1.09498   110.27063   117.78854
   55    53 S   HC   _H46    92     1.09511   112.59067    -2.37339
   56    53 S   HC   _H47    93     1.09503   110.14918  -122.32277
   57    51 S   CT   _C13    51     1.55047   115.13344    84.22930
   58    57 S   HC   _H34    52     1.09462   110.47162  -174.18385
   59    57 S   HC   _H35    53     1.09767   108.90732    69.88853
   60    51 S   OS   _O29    83     1.44630   109.37023   -41.32956
   61    57 S   CM   _C4_    54     1.50285   113.40171   -49.62735
   62    61 S   HC   _H31    55     1.09000   113.54340    87.12019
   63    60 S   CO4  _C12    84     1.36170   118.08660  -150.02608
   64    63 S   O    _O25    85     1.22295   126.48903    -0.74099
   65    61 S   CM   _C6_    56     1.34875   128.01876   -85.67442
   66    63 S   CT   _C24    86     1.49864   109.39374   179.27395
   67    66 S   HC   _H54    87     1.09289   109.80305   -61.57908
   68    66 S   HC   _H55    88     1.09373   109.35945   179.33854
   69    66 S   HC   _H56    89     1.09279   109.91537    60.28789
   70    65 S   CT   _C15    57     1.52039   118.37404   167.43857
   71    70 S   HC   _H37    58     1.09770   109.15767    28.36176
   72    65 S   CT   _C20    79     1.50453   124.32808    -8.09024
   73    72 S   HC   _H42    80     1.09306   110.97500   114.29892
   74    72 S   HC   _H43    81     1.09202   113.07549    -6.39819
   75    72 S   HC   _H44    82     1.09477   110.43006  -125.46201
   76    70 S   CT   _C19    59     1.56057   115.33109   -91.45717
   77    76 S   HC   _H41    60     1.09218   105.55869  -179.49140
   78    70 S   OH   _O27    77     1.42716   110.36216   143.55002
   79    78 S   HO   _H59    78     0.97633   106.80658   -63.54936
   80    76 S   OS   _O28    63     1.44396   110.82382   -62.13272
   81    80 S   CO4  _C11    64     1.35676   118.68949   -95.93453
   82    81 S   O    _O24    65     1.22067   127.40883    -2.82397
   83    81 S   CM   _C10    66     1.48432   108.16380   177.67611
   84    83 S   CM   _C9_    67     1.34450   120.30637  -132.59134
   85    84 S   HC   _H33    68     1.08908   117.86262  -177.96991
   86    83 S   CT   _C23    73     1.49956   116.94798    49.22050
   87    86 S   HC   _H51    74     1.09487   110.69792   -70.13555
   88    86 S   HC   _H52    75     1.09498   110.41387    50.13480
   89    86 S   HC   _H53    76     1.09517   111.92635   169.76396
   90    84 S   CT   _C22    69     1.49595   128.05003     3.84104
   91    90 S   HC   _H48    70     1.09403   109.95731  -109.99280
   92    90 S   HC   _H49    71     1.09501   109.34693   131.47574
   93    90 S   HC   _H50    72     1.09256   113.51737    12.05844
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  15   7   5   2   1   1   9   5   4   7  10   3   5   4
  11   3   2   1   1  11   6   5   2   1   1   7   3   2   1   5
   9   3  10   9   5   4   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    76    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    70    76    77    48    49    80  
   41    42    43    44    76    48    49  
   42    43    44    45    46    76    48    49  
   43    44    48  
   44    45    46    47    50    76    48    49  
   45    46    47    50    51    70    76    77    48    49    80    53  
   46    47    50    76    48    49  
   47    50    51    52    57    76    48    49    60    53    54    55    56  
   50    51    48    53  
   49    80    81    78    50    65    70    71    76    77  
   80    70    76    77  
   51    52    57    58    59    61    60    63    53    54    55    56  
   52    57    58    59    61    62    65    60    63    64    66    53    54    55    56  
   57    58    59    61    60    63    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    61    62    65    70    72    60    63  
   59    61    62    65    60  
   61    62    65    60  
   63    64    66    67    68    69    61  
   62    65    70    71    76    78    72    73    74    75  
   65    70    72  
   64    66    67    68    69  
   66    67    68    69  
   70    71    76    77    80    78    79    72    73    74    75  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    80    81    78    79    72    73    74    75  
   76    77    80    78    79    72  
   73    74    75    76    78  
   74    75  
   75  
    0  
   77    80    81    82    83    78    79  
   80    81    78  
   79    80  
    0  
   81    82    83    84    86  
   82    83    84    85    90    86    87    88    89  
   83    84    86  
   84    85    90    91    92    93    86    87    88    89  
   85    90    91    92    93    86    87    88    89  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.510
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    70   317.000  1.510
   65    72   317.000  1.510
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    78   320.000  1.410
   76    77   340.000  1.090
   76    48   268.000  1.529
   76    80   320.000  1.410
   48    49   340.000  1.090
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   549.000  1.340
   83    86   317.000  1.510
   84    85   340.000  1.080
   84    90   317.000  1.510
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    76    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    76    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    85.00000  110.90400
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    70.00000  112.02700
   51    60    63    83.00000  116.90000
   57    51    52    37.50000  110.70000
   57    61    62    35.00000  117.00000
   57    61    65    70.00000  124.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    65    70    70.00000  124.00000
   61    65    72    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    76    70.00000  112.02700
   65    70    78    90.00000  110.39200
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   70    76    77    37.50000  110.70000
   70    76    48    58.35000  112.70000
   70    76    80    50.00000  109.50000
   70    78    79    55.00000  108.50000
   76    70    71    37.50000  110.70000
   76    48    49    37.50000  110.70000
   76    80    81    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    76    77    37.50000  110.70000
   80    76    77    35.00000  109.50000
   80    76    48    50.00000  109.50000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    65.00000  118.96000
   81    83    86    65.00000  116.34900
   83    81    82    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    90    70.00000  124.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   90    84    85    35.00000  117.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   86    83    84    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    76    50.00000  109.50000
   72    65    70    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    66    81.00000  111.40000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   66    63    64    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    65.00000  117.92700
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    76   0.56750  1.0 1.0
   33    39    48    76  -0.07550 -1.0 2.0
   33    39    48    76   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    76   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    76  -0.95700  1.0 1.0
   41    39    48    76  -0.18200 -1.0 2.0
   41    39    48    76   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    76   0.62750  1.0 1.0
   43    44    48    76  -0.30950 -1.0 2.0
   43    44    48    76   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    76   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    76   0.34400  1.0 1.0
   46    44    48    76   0.09450 -1.0 2.0
   46    44    48    76   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.39000  1.0 1.0
   46    50    51    60  -0.05800 -1.0 2.0
   46    50    51    60  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    61   0.31000  1.0 1.0
   50    51    57    61   0.14700 -1.0 2.0
   50    51    57    61   0.07550  1.0 3.0
   50    51    60    63  -0.82050  1.0 1.0
   50    51    60    63   0.00600 -1.0 2.0
   50    51    60    63   0.04400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    65   0.09850  1.0 1.0
   51    57    61    65   0.15250 -1.0 2.0
   51    57    61    65  -0.50650  1.0 3.0
   51    60    63    64   3.00000 -1.0 2.0
   51    60    63    66   1.63150  1.0 1.0
   51    60    63    66   2.92000 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   52    51    60    63   0.08050  1.0 3.0
   57    51    60    63  -0.25900  1.0 1.0
   57    51    60    63  -0.47000 -1.0 2.0
   57    51    60    63   0.11750  1.0 3.0
   57    61    65    70   7.00000 -1.0 2.0
   57    61    65    72   7.00000 -1.0 2.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    65   0.00000  1.0 1.0
   59    57    61    62   0.33100  1.0 3.0
   59    57    61    65   0.00000  1.0 1.0
   61    65    70    71   0.00000  1.0 1.0
   61    65    70    76   0.09850  1.0 1.0
   61    65    70    76   0.15250 -1.0 2.0
   61    65    70    76  -0.50650  1.0 3.0
   61    65    70    78   0.67800  1.0 1.0
   61    65    70    78   0.47050 -1.0 2.0
   61    65    70    78  -0.62500  1.0 3.0
   61    65    72    73   0.00000  1.0 1.0
   61    65    72    74   0.00000  1.0 1.0
   61    65    72    75   0.00000  1.0 1.0
   62    61    65    70   7.00000 -1.0 2.0
   62    61    65    72   7.00000 -1.0 2.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    48   0.34400  1.0 1.0
   65    70    76    48   0.09450 -1.0 2.0
   65    70    76    48   0.11100  1.0 3.0
   65    70    76    80   0.61850  1.0 1.0
   65    70    76    80  -0.22750 -1.0 2.0
   65    70    76    80   0.15300  1.0 3.0
   65    70    78    79  -0.07800  1.0 1.0
   65    70    78    79  -0.21500 -1.0 2.0
   65    70    78    79  -0.03150  1.0 3.0
   70    65    72    73   0.34800  1.0 3.0
   70    65    72    74   0.34800  1.0 3.0
   70    65    72    75   0.34800  1.0 3.0
   70    76    48    39   0.56750  1.0 1.0
   70    76    48    39  -0.07550 -1.0 2.0
   70    76    48    39   0.20000  1.0 3.0
   70    76    48    44   0.56750  1.0 1.0
   70    76    48    44  -0.07550 -1.0 2.0
   70    76    48    44   0.20000  1.0 3.0
   70    76    48    49   0.15000  1.0 3.0
   70    76    80    81  -0.25900  1.0 1.0
   70    76    80    81  -0.47000 -1.0 2.0
   70    76    80    81   0.11750  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    48   0.15000  1.0 3.0
   71    70    76    80   0.23400  1.0 3.0
   71    70    78    79   0.19450  1.0 3.0
   76    70    78    79  -0.11600  1.0 1.0
   76    70    78    79  -0.09450 -1.0 2.0
   76    70    78    79   0.21250  1.0 3.0
   76    80    81    82   3.00000 -1.0 2.0
   76    80    81    83   2.00000 -1.0 2.0
   77    76    48    39   0.15000  1.0 3.0
   77    76    48    44   0.15000  1.0 3.0
   77    76    48    49   0.15000  1.0 3.0
   77    76    80    81   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    76    80    81  -0.25900  1.0 1.0
   48    76    80    81  -0.47000 -1.0 2.0
   48    76    80    81   0.11750  1.0 3.0
   80    76    48    39   0.62750  1.0 1.0
   80    76    48    39  -0.30950 -1.0 2.0
   80    76    48    39   0.27300  1.0 3.0
   80    76    48    44   0.62750  1.0 1.0
   80    76    48    44  -0.30950 -1.0 2.0
   80    76    48    44   0.27300  1.0 3.0
   80    76    48    49   0.23400  1.0 3.0
   80    81    83    84  -0.56150  1.0 1.0
   80    81    83    84   2.19150 -1.0 2.0
   80    81    83    86  -0.15000  1.0 1.0
   80    81    83    86   0.89550 -1.0 2.0
   80    81    83    86  -0.06900  1.0 3.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    90   7.00000 -1.0 2.0
   81    83    86    87   0.15000  1.0 3.0
   81    83    86    88   0.15000  1.0 3.0
   81    83    86    89   0.15000  1.0 3.0
   82    81    83    84   1.00000 -1.0 2.0
   82    81    83    86  -0.64400  1.0 1.0
   82    81    83    86   0.26850 -1.0 2.0
   83    84    90    91   0.00000  1.0 1.0
   83    84    90    92   0.00000  1.0 1.0
   83    84    90    93   0.00000  1.0 1.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   84    83    86    89   0.00000  1.0 1.0
   85    84    90    91   0.33100  1.0 3.0
   85    84    90    92   0.33100  1.0 3.0
   85    84    90    93   0.33100  1.0 3.0
   86    83    84    85   7.00000 -1.0 2.0
   86    83    84    90   7.00000 -1.0 2.0
   78    70    76    77   0.23400  1.0 3.0
   78    70    76    48   0.86500  1.0 1.0
   78    70    76    48  -0.17500 -1.0 2.0
   78    70    76    48   0.20800  1.0 3.0
   78    70    76    80   3.69350  1.0 1.0
   78    70    76    80  -1.82950 -1.0 2.0
   72    65    70    71   0.34800  1.0 3.0
   72    65    70    76   0.46850  1.0 1.0
   72    65    70    76   0.08550 -1.0 2.0
   72    65    70    76   0.09800  1.0 3.0
   72    65    70    78   0.18000  1.0 1.0
   72    65    70    78   0.16450 -1.0 2.0
   72    65    70    78   0.04450  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    61   0.61850  1.0 1.0
   60    51    57    61  -0.22750 -1.0 2.0
   60    51    57    61   0.15300  1.0 3.0
   60    63    66    67   0.00000  1.0 1.0
   60    63    66    68   0.00000  1.0 1.0
   60    63    66    69   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.09700  1.0 1.0
   53    50    51    60   0.15600 -1.0 2.0
   53    50    51    60  -0.50800  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   57    62    61    65   1.10000 -1.0 2.0
   70    72    65    61   1.10000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    86    83    84  15.00000 -1.0 2.0
   90    85    84    83  15.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
END
