* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    234     468
    1     0 S   NP   _N1_     1    28.51783    96.98876   -23.54962
    2     1 S   H    _HN1     2     1.02950    67.88205    -7.85470
    3     1 S   H    _H1_     3     1.02831    40.67429   155.91176
    4     1 S   H    _H2_     4     1.02781   110.39319  -110.07615
    5     1 S   CT   _CA1     5     1.50140   135.07809    89.36423
    6     5 S   HC   _HA1     6     1.09572   105.19413    99.02235
    7     5 S   CO3  _C1_     7     1.53791   112.27032   -21.20375
    8     7 S   O2Z  _O11     8     1.26378   114.99747   -45.28172
    9     7 S   O2Z  _O12     9     1.26219   114.94846   133.64069
   10     5 S   CT   _CB1    10     1.53074   107.40521  -143.02564
   11    10 S   HC   HB11    11     1.09835   109.41839   -49.28449
   12    10 S   HC   HB12    12     1.09811   110.44697    67.31310
   13    10 S   CT   _CG1    13     1.53016   112.61797  -170.21843
   14    13 S   HC   HG11    14     1.09581   110.65620   -64.95106
   15    13 S   HC   HG12    15     1.09668   109.80172    54.28076
   16    13 S   C    _CD1    16     1.51818   112.09267   174.77580
   17    16 S   O    _OE1    17     1.22774   123.30482     8.18240
   18    16 S   N    _N2_    18     1.38522   111.82481  -171.86849
   19    18 S   H    _HN2    19     1.01672   119.27069    -1.01414
   20    18 S   CT1  _CA2    20     1.46082   122.69242   179.52853
   21    20 S   HC   _HA2    21     1.09759   108.40031    34.83890
   22    20 S   C    _C2_    22     1.53129   110.27969   -81.64374
   23    22 S   O    _O2_    23     1.23159   121.01089   156.94960
   24    20 S   CT   _CB2    32     1.53189   111.43975   157.75482
   25    24 S   HC   HB21    33     1.09410   109.78915    52.12815
   26    24 S   HC   HB22    34     1.09365   109.77063   171.06444
   27    22 S   N    _N3_    24     1.38111   114.62764   -30.03581
   28    27 S   H    _HN3    25     1.01615   119.48252     4.54321
   29    24 S   S    _SG2    35     1.82530   110.46498   -68.56639
   30    27 S   CT   _CA3    26     1.45241   122.95890  -177.25519
   31    30 S   HC   HA31    27     1.09556   107.88581   -54.83367
   32    30 S   HC   HA32    28     1.09558   107.56401    61.49102
   33    29 S   CT   _C14    36     1.85070   101.42375   177.84759
   34    33 S   OM   _O34    37     1.32217   108.51746  -179.77445
   35    30 S   CO3  _C3_    29     1.52884   114.19565  -176.56310
   36    35 S   O2Z  _O31    30     1.26345   116.07195     6.48041
   37    35 S   O2Z  _O32    31     1.26429   114.42489  -173.64078
   38    33 S   CM   _C9_    38     1.52825   110.08931   -62.98213
   39    38 S   CMA  _C10    39     1.35947   126.33083   121.76384
   40    39 S   OM   _O37    40     1.26785   129.70315   174.75514
   41    38 S   CO4  _C8_    76     1.51269   118.74694   -57.42701
   42    41 S   O    _O33    77     1.23129   119.96378    90.70592
   43    39 S   CT   _C11    41     1.55692   118.73325    -4.61006
   44    41 S   CT   _C7_    78     1.52249   117.31502   -87.35111
   45    44 S   HC   _H10    79     1.09618   106.89831    86.13980
   46    44 S   HC   _H11    80     1.09625   109.53979   -30.53645
   47    43 S   CM   _C12    42     1.52662   113.87860    11.94448
   48    43 S   CT   _C20    60     1.57258   113.01533  -109.50699
   49    48 S   HC   _H22    61     1.09351   109.49588    58.73909
   50    48 S   HC   _H23    62     1.09946   109.22720   173.28125
   51    43 S   OH   _O36    74     1.44298   110.14900   129.44316
   52    51 S   HO   _H31    75     0.97436   105.98148    27.89501
   53    44 S   CT   _C5_    81     1.53741   113.23410  -153.68300
   54    53 S   HC   _H6_    82     1.09726   109.37377   -51.33898
   55    33 S   CM   _C13    43     1.53307   110.62064    63.61981
   56    47 S   OH   _O35    58     1.39132   114.80687   167.00557
   57    56 S   HO   _H21    59     0.97430   106.45352   -15.84378
   58    48 S   CM   _C21    63     1.51030   116.56541   -68.91648
   59    58 S   HC   _H24    64     1.08941   113.82750   -64.13761
   60    53 S   CT   _C4_    83     1.52977   111.77896    68.34607
   61    60 S   HC   _H3_    84     1.09528   111.31087    58.00389
   62    60 S   HC   _H4_    85     1.09537   110.70562   178.02355
   63    60 S   HC   _H5_    86     1.09415   111.26192   -62.71823
   64    53 S   CT   _C6_    87     1.53015   109.90292  -169.53371
   65    64 S   HC   _H7_    88     1.09540   111.29284   -61.06900
   66    64 S   HC   _H8_    89     1.09519   110.82821   178.67914
   67    64 S   HC   _H9_    90     1.09515   110.81666    59.19588
   68    55 S   CT   _C15    44     1.53447   119.62113    60.68554
   69    68 S   HC   _H12    45     1.09224   111.10930    24.22021
   70    68 S   HC   _H13    46     1.09839   109.42859   138.32745
   71    58 S   CM   _C22    65     1.34709   128.31122   117.01994
   72    68 S   CM   _C16    47     1.50835   112.35320  -102.17585
   73    72 S   HC   _H14    48     1.08999   113.92054   -60.56068
   74    71 S   CT   _C23    66     1.50566   120.34717   179.05498
   75    74 S   HC   _H25    67     1.09498   110.26275   119.38907
   76    74 S   HC   _H26    68     1.09498   110.21770  -120.79930
   77    74 S   HC   _H27    69     1.09510   112.44467    -0.72091
   78    71 S   CT   _C24    70     1.50212   125.44595    -1.77244
   79    78 S   HC   _H28    71     1.09468   109.93310   117.60425
   80    78 S   HC   _H29    72     1.09528   110.09838  -123.18815
   81    78 S   HC   _H30    73     1.09066   113.69139    -3.20772
   82    72 S   CM   _C17    49     1.34714   128.57034   119.72388
   83    82 S   CT   _C18    50     1.50606   120.23760  -179.24827
   84    83 S   HC   _H15    51     1.09511   110.18673   119.56217
   85    83 S   HC   _H16    52     1.09511   112.46796    -0.43251
   86    83 S   HC   _H17    53     1.09490   110.26484  -120.59851
   87    82 S   CT   _C19    54     1.50237   125.57175     0.13122
   88    87 S   HC   _H18    55     1.09516   109.97806   120.04492
   89    87 S   HC   _H19    56     1.09527   110.03768  -120.82218
   90    87 S   HC   _H20    57     1.09133   113.82130    -0.37949
  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   8   5   4   3
  15   6   2   1   1  14  14   5  10   4  13  12   5   4  13  11
   5   4   4   1   9   8   8   2   1  10   3   7   3   2   1   3
   2   1   1   7   4   3   8  10   3   7   3   2   1   3   2   1
   1   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    68    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    55    68    69    70    72    56    41    42    44  
   38    39    47    55    68    41  
   36    37  
   37  
    0  
   39    40    43    47    55    68    48    51    41    42    44    45    46    53  
   40    43    47    55    56    48    49    50    58    51    52    41    42    44  
   43    47    48    51    41  
   42    44    45    46    53    54    60    64    43    55  
   44    45    46    53  
   47    55    68    56    57    48    49    50    58    59    71    51    52  
   45    46    53    54    60    61    62    63    64    65    66    67  
   46    53    54    60    64  
   53    54    60    64  
   55    68    69    70    72    56    57    48    49    50    58    51    52  
   49    50    58    59    71    74    78    51    52    55    56  
   50    58    59    71    51  
   58    59    71    51  
   52    55    56    58  
    0  
   54    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   68    69    70    72    73    82    56    57  
   57    68  
    0  
   59    71    74    75    76    77    78    79    80    81  
   71    74    78  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    72    73    82    83    87  
   70    72    73    82  
   72    73    82  
   74    75    76    77    78    79    80    81  
   73    82    83    84    85    86    87    88    89    90  
   82    83    87  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    55   317.000  1.510
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    47   317.000  1.510
   43    48   268.000  1.529
   43    51   320.000  1.410
   47    55   549.000  1.340
   47    56   510.000  1.338
   55    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.510
   72    73   340.000  1.080
   72    82   549.000  1.340
   82    83   317.000  1.510
   82    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   56    57   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   317.000  1.510
   58    59   340.000  1.080
   58    71   549.000  1.340
   71    74   317.000  1.510
   71    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   51    52   553.000  0.945
   41    42   570.000  1.229
   41    44   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    55    47    70.00000  124.00000
   33    55    68    65.00000  117.92700
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  123.72100
   38    41    44    65.00000  118.62400
   39    43    47    70.00000  110.12100
   39    43    48    70.00000  112.02700
   39    43    51    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    47    55    70.00000  124.00000
   43    47    56    90.00000  109.34000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    58    70.00000  112.02700
   43    51    52    55.00000  108.50000
   47    55    68    70.00000  124.00000
   47    56    57    70.00000  107.45700
   55    33    34    85.00000  110.90400
   55    33    38    70.00000  110.12100
   55    68    69    35.00000  109.50000
   55    68    70    35.00000  109.50000
   55    68    72    70.00000  110.12100
   68    72    73    35.00000  117.00000
   68    72    82    70.00000  124.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   72    82    83    70.00000  124.00000
   72    82    87    70.00000  124.00000
   82    72    73    35.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    82    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   56    47    55    80.00000  121.38400
   48    43    47    70.00000  112.02700
   48    58    59    35.00000  117.00000
   48    58    71    70.00000  124.00000
   50    48    49    33.00000  107.80000
   58    48    49    35.00000  109.50000
   58    48    50    35.00000  109.50000
   58    71    74    70.00000  124.00000
   58    71    78    70.00000  124.00000
   71    58    59    35.00000  120.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   51    43    47    90.00000  110.39200
   51    43    48    50.00000  109.50000
   41    38    39    60.00000  125.92000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    53    63.00000  111.10000
   44    41    42    80.00000  120.40000
   44    53    54    37.50000  110.70000
   44    53    60    58.35000  112.70000
   44    53    64    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   53    64    65    37.50000  110.70000
   53    64    66    37.50000  110.70000
   53    64    67    37.50000  110.70000
   60    53    54    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    60    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
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    55    47   0.42700  1.0 1.0
   29    33    55    47  -0.70350 -1.0 2.0
   29    33    55    47  -0.43150  1.0 3.0
   29    33    55    68   0.30250  1.0 1.0
   29    33    55    68  -0.14950 -1.0 2.0
   29    33    55    68   0.36900  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    44   0.25700  1.0 1.0
   33    38    41    44   0.66200 -1.0 2.0
   33    38    41    44   0.04450  1.0 3.0
   33    55    68    69   0.34800  1.0 3.0
   33    55    68    70   0.34800  1.0 3.0
   33    55    68    72   0.09700  1.0 1.0
   33    55    68    72   0.15600 -1.0 2.0
   33    55    68    72  -0.50800  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    55    47   0.39000  1.0 1.0
   34    33    55    47  -0.05800 -1.0 2.0
   34    33    55    47  -0.55150  1.0 3.0
   34    33    55    68   0.09700  1.0 1.0
   34    33    55    68   0.15600 -1.0 2.0
   34    33    55    68  -0.50800  1.0 3.0
   38    33    55    47  -0.28300  1.0 1.0
   38    33    55    47   0.26700 -1.0 2.0
   38    33    55    47  -0.63300  1.0 3.0
   38    33    55    68   0.09700  1.0 1.0
   38    33    55    68   0.15600 -1.0 2.0
   38    33    55    68  -0.50800  1.0 3.0
   38    39   -43    47  -0.28300  1.0 1.0
   38    39   -43    47   0.26700 -1.0 2.0
   38    39   -43    47  -0.63300  1.0 3.0
   38    39    43    48   0.09850  1.0 1.0
   38    39    43    48   0.15250 -1.0 2.0
   38    39    43    48  -0.50650  1.0 3.0
   38    39    43    51   0.67800  1.0 1.0
   38    39    43    51   0.47050 -1.0 2.0
   38    39    43    51  -0.62500  1.0 3.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    53   0.65300  1.0 1.0
   38    41    44    53  -0.03850 -1.0 2.0
   38    41    44    53   0.33900  1.0 3.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    44  -0.33500  1.0 1.0
   39    38    41    44   1.06600 -1.0 2.0
   39    38    41    44  -0.14000  1.0 3.0
   39    43    47    55  -0.28300  1.0 1.0
   39    43    47    55   0.26700 -1.0 2.0
   39    43    47    55  -0.63300  1.0 3.0
   39    43    47    56   0.09700  1.0 1.0
   39    43    47    56   0.15600 -1.0 2.0
   39    43    47    56  -0.50800  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    58   0.31000  1.0 1.0
   39    43    48    58   0.14700 -1.0 2.0
   39    43    48    58   0.07550  1.0 3.0
   39    43    51    52  -0.07800  1.0 1.0
   39    43    51    52  -0.21500 -1.0 2.0
   39    43    51    52  -0.03150  1.0 3.0
   40    39    43    47   0.09700  1.0 1.0
   40    39    43    47   0.15600 -1.0 2.0
   40    39    43    47  -0.50800  1.0 3.0
   40    39    43    48   0.09700  1.0 1.0
   40    39    43    48   0.15600 -1.0 2.0
   40    39    43    48  -0.50800  1.0 3.0
   40    39    43    51   0.09700  1.0 1.0
   40    39    43    51   0.15600 -1.0 2.0
   40    39    43    51  -0.50800  1.0 3.0
   43    47   -55    33   7.00000 -1.0 2.0
   43    47    55    68   7.00000 -1.0 2.0
   43    47    56    57   2.00000 -1.0 2.0
   43    48    58    59   0.00000  1.0 1.0
   43    48    58    71   0.09850  1.0 1.0
   43    48    58    71   0.15250 -1.0 2.0
   43    48    58    71  -0.50650  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    58   0.31000  1.0 1.0
   47    43    48    58   0.14700 -1.0 2.0
   47    43    48    58   0.07550  1.0 3.0
   47    43    51    52  -0.07800  1.0 1.0
   47    43    51    52  -0.21500 -1.0 2.0
   47    43    51    52  -0.03150  1.0 3.0
   47    55    68    69   0.00000  1.0 1.0
   47    55    68    70   0.00000  1.0 1.0
   47    55    68    72  -0.28300  1.0 1.0
   47    55    68    72   0.26700 -1.0 2.0
   47    55    68    72  -0.63300  1.0 3.0
   55    33   -38    39  -0.28300  1.0 1.0
   55    33   -38    39   0.26700 -1.0 2.0
   55    33   -38    39  -0.63300  1.0 3.0
   55    33    38    41   0.09700  1.0 1.0
   55    33    38    41   0.15600 -1.0 2.0
   55    33    38    41  -0.50800  1.0 3.0
   55    47    56    57  -0.66100  1.0 1.0
   55    47    56    57   1.20850 -1.0 2.0
   55    47    56    57  -0.36000  1.0 3.0
   55    68    72    73   0.00000  1.0 1.0
   55    68    72    82  -0.28300  1.0 1.0
   55    68    72    82   0.26700 -1.0 2.0
   55    68    72    82  -0.63300  1.0 3.0
   68    72    82    83   7.00000 -1.0 2.0
   68    72    82    87   7.00000 -1.0 2.0
   69    68    72    73   0.33100  1.0 3.0
   69    68    72    82   0.00000  1.0 1.0
   70    68    72    73   0.33100  1.0 3.0
   70    68    72    82   0.00000  1.0 1.0
   72    82    83    84   0.00000  1.0 1.0
   72    82    83    85   0.00000  1.0 1.0
   72    82    83    86   0.00000  1.0 1.0
   72    82    87    88   0.00000  1.0 1.0
   72    82    87    89   0.00000  1.0 1.0
   72    82    87    90   0.00000  1.0 1.0
   73    72    82    83   7.00000 -1.0 2.0
   73    72    82    87   7.00000 -1.0 2.0
   83    82    87    88   0.34800  1.0 3.0
   83    82    87    89   0.34800  1.0 3.0
   83    82    87    90   0.34800  1.0 3.0
   87    82    83    84   0.34800  1.0 3.0
   87    82    83    85   0.34800  1.0 3.0
   87    82    83    86   0.34800  1.0 3.0
   56    47    55    33   7.00000 -1.0 2.0
   56    47    55    68   7.00000 -1.0 2.0
   48    43    47    55   0.09850  1.0 1.0
   48    43    47    55   0.15250 -1.0 2.0
   48    43    47    55  -0.50650  1.0 3.0
   48    43    47    56   0.09700  1.0 1.0
   48    43    47    56   0.15600 -1.0 2.0
   48    43    47    56  -0.50800  1.0 3.0
   48    43    51    52  -0.11600  1.0 1.0
   48    43    51    52  -0.09450 -1.0 2.0
   48    43    51    52   0.21250  1.0 3.0
   48    58    71    74   7.00000 -1.0 2.0
   48    58    71    78   7.00000 -1.0 2.0
   49    48    58    59   0.33100  1.0 3.0
   49    48    58    71   0.00000  1.0 1.0
   50    48    58    59   0.33100  1.0 3.0
   50    48    58    71   0.00000  1.0 1.0
   58    71    74    75   0.00000  1.0 1.0
   58    71    74    76   0.00000  1.0 1.0
   58    71    74    77   0.00000  1.0 1.0
   58    71    78    79   0.00000  1.0 1.0
   58    71    78    80   0.00000  1.0 1.0
   58    71    78    81   0.00000  1.0 1.0
   59    58    71    74   7.00000 -1.0 2.0
   59    58    71    78   7.00000 -1.0 2.0
   74    71    78    79   0.34800  1.0 3.0
   74    71    78    80   0.34800  1.0 3.0
   74    71    78    81   0.34800  1.0 3.0
   78    71    74    75   0.34800  1.0 3.0
   78    71    74    76   0.34800  1.0 3.0
   78    71    74    77   0.34800  1.0 3.0
   51    43    47    55   0.67800  1.0 1.0
   51    43    47    55   0.47050 -1.0 2.0
   51    43    47    55  -0.62500  1.0 3.0
   51    43    47    56   0.09700  1.0 1.0
   51    43    47    56   0.15600 -1.0 2.0
   51    43    47    56  -0.50800  1.0 3.0
   51    43    48    49   0.23400  1.0 3.0
   51    43    48    50   0.23400  1.0 3.0
   51    43    48    58   1.05650  1.0 1.0
   51    43    48    58   0.15600 -1.0 2.0
   51    43    48    58   0.53150  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   41    44    53    54  -0.11250  1.0 3.0
   41    44    53    60  -0.95700  1.0 1.0
   41    44    53    60  -0.18200 -1.0 2.0
   41    44    53    60   0.29450  1.0 3.0
   41    44    53    64  -0.95700  1.0 1.0
   41    44    53    64  -0.18200 -1.0 2.0
   41    44    53    64   0.29450  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    53   0.30150 -1.0 2.0
   44    53    60    61   0.15000  1.0 3.0
   44    53    60    62   0.15000  1.0 3.0
   44    53    60    63   0.15000  1.0 3.0
   44    53    64    65   0.15000  1.0 3.0
   44    53    64    66   0.15000  1.0 3.0
   44    53    64    67   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    60   0.15000  1.0 3.0
   45    44    53    64   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    60   0.15000  1.0 3.0
   46    44    53    64   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   54    53    64    65   0.15000  1.0 3.0
   54    53    64    66   0.15000  1.0 3.0
   54    53    64    67   0.15000  1.0 3.0
   60    53    64    65   0.15000  1.0 3.0
   60    53    64    66   0.15000  1.0 3.0
   60    53    64    67   0.15000  1.0 3.0
   64    53    60    61   0.15000  1.0 3.0
   64    53    60    62   0.15000  1.0 3.0
   64    53    60    63   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    56    47    55   1.10000 -1.0 2.0
   33    68    55    47   1.10000 -1.0 2.0
   68    73    72    82  15.00000 -1.0 2.0
   83    87    82    72  15.00000 -1.0 2.0
   48    59    58    71  15.00000 -1.0 2.0
   74    78    71    58  15.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
END
