* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    234     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02132    35.79415   135.07951
    3     1 S   H    _H1_     3     1.02080    80.53665   -83.15845
    4     1 S   H    _H2_     4     1.02119    98.36237    24.54612
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.88785    95.91997  -158.11072
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C17    37     1.61799   111.58383   -58.61270
   38    33 S   CM   _C9_    61     1.52787   102.24964    59.98164
   39    38 S   HC   _H30    62     1.08605   115.47207  -149.03508
   40    37 S   CT   _C14    38     1.56120   111.59408  -153.89129
   41    40 S   HC   _H33    39     1.09671   109.97657  -151.18894
   42    40 S   HC   _H34    40     1.09751   109.84770    93.30891
   43    37 S   CT   _C21    53     1.55641   114.27901   -33.88111
   44    43 S   HC   _H43    54     1.07991   108.46341    56.79261
   45    43 S   HC   _H44    55     1.07970   108.47757   -63.14818
   46    43 S   HC   _H45    56     1.08009   108.48192   176.81986
   47    37 S   CT   _C22    57     1.55465   111.96298    85.14776
   48    47 S   HC   _H46    58     1.07878   108.31141   -56.86343
   49    47 S   HC   _H47    59     1.07851   108.35437  -176.88712
   50    47 S   HC   _H48    60     1.07940   108.25897    63.04827
   51    38 S   CM   _C7_    63     1.34314   123.48783    30.92243
   52    51 S   HC   _H28    64     1.08890   117.37914     0.02798
   53    40 S   CT   _C13    41     1.51861   113.82982   -29.00574
   54    53 S   HC   _H31    42     1.09800   110.45003  -174.99109
   55    53 S   HC   _H32    43     1.09922   109.13251   -59.35355
   56    51 S   CM   _C11    65     1.46655   126.87486  -180.00000
   57    53 S   CT   _C15    44     1.53385   112.71918    61.46323
   58    57 S   HC   _H35    45     1.10302   108.31112    94.08285
   59    57 S   HC   _H36    46     1.10106   107.65506  -152.84275
   60    56 S   CM   _C6_    66     1.35026   118.16934  -179.97202
   61    60 S   HC   _H27    67     1.09035   118.29186     0.09691
   62    56 S   CT   _C20    83     1.50820   117.18962     0.02798
   63    62 S   HC   _H40    84     1.09540   110.46162   -89.96634
   64    62 S   HC   _H41    85     1.09193   113.91553   150.18553
   65    62 S   HC   _H42    86     1.09637   110.47234    30.30810
   66    33 S   CT   _C18    47     1.59588   111.12168   175.35493
   67    66 S   OM   _O21    48     1.32604   110.74971    62.94056
   68    60 S   CM   _C4_    68     1.45157   127.74556  -179.82196
   69    68 S   HC   _H25    69     1.08369   117.62386     0.38308
   70    66 S   CT   _C23    49     1.55630   114.19960   -55.69941
   71    70 S   HC   _H49    50     1.07983   108.35755    56.42370
   72    70 S   HC   _H50    51     1.07957   108.35494   -63.47714
   73    70 S   HC   _H51    52     1.07910   108.39750   176.47047
   74    68 S   CM   _C5_    70     1.34422   122.58676  -180.00000
   75    74 S   HC   _H26    71     1.09037   117.87267    -0.30390
   76    74 S   CM   _C10    72     1.46710   126.86600  -179.79633
   77    76 S   CM   _C8_    73     1.34891   117.91427   179.98022
   78    77 S   HC   _H29    74     1.08941   119.72829    -1.10836
   79    76 S   CT   _C19    79     1.50743   117.25484    -1.05869
   80    79 S   HC   _H37    80     1.09610   110.73863    90.00245
   81    79 S   HC   _H38    81     1.09601   110.48025  -149.57604
   82    79 S   HC   _H39    82     1.09118   113.67655   -28.36263
   83    77 S   C    _C12    75     1.47927   125.84994  -180.00000
   84    83 S   O    _O22    76     1.21840   127.10709    30.05687
   85    83 S   OH   _O23    77     1.35430   108.34289  -151.10520
   86    85 S   HO   _H52    78     0.98120   112.01939  -178.95639
  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  12   5   4   3
  27   2   1   1  21  13   4  17   7   6   9   3   2   1   5   2
   1   1  10   3   8   5   4   9   8   4   3  10   4   4   2   1
   1   5   4   6   3   3   2   1   1   9   3   9   9   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    66    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    57    66    67    70    43    47    38    39    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    53    57    58    59    66    67    70    71    72    73    43    44    45    46    47    48    49    50    38    39    51    52    56  
   35    36  
   36  
    0  
   40    41    42    53    54    55    57    66    67    70    43    44    45    46    47    48    49    50    38    39    51  
   39    51    52    56    60    62    40    43    47    57    66    67    70  
   51    52    56    66  
   41    42    53    54    55    57    58    59    66    43    44    45    46    47    48    49    50  
   42    53    54    55    57    43    47  
   53    54    55    57    43    47  
   44    45    46    47    48    49    50    53    66  
   45    46    47  
   46    47  
   47  
   48    49    50    53    66  
   49    50  
   50  
    0  
   52    56    60    61    68    62    63    64    65    66  
   56    60    62  
   54    55    57    58    59    66    67    70  
   55    57    58    59    66  
   57    58    59    66  
   60    61    68    69    74    62    63    64    65  
   58    59    66    67    70    71    72    73  
   59    66    67    70  
   66    67    70  
   61    68    69    74    75    76    62    63    64    65  
   68    69    74    62  
   63    64    65    68  
   64    65  
   65  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    79  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
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    66   268.000  1.529
   33    38   317.000  1.510
   37    40   268.000  1.529
   37    43   268.000  1.529
   37    47   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   570.000  1.307
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   340.000  1.080
   38    51   549.000  1.340
   51    52   340.000  1.080
   51    56   380.000  1.444
   56    60   549.000  1.340
   56    62   317.000  1.510
   60    61   340.000  1.080
   60    68   380.000  1.444
   68    69   340.000  1.080
   68    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   410.000  1.444
   83    84   570.000  1.229
   83    85   450.000  1.364
   85    86   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    66    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    37    47    58.35000  112.70000
   33    66    57    58.35000  112.70000
   33    66    67    50.00000  109.50000
   33    66    70    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    51    70.00000  124.00000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    53    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    37.50000  110.70000
   40    53    54    37.50000  110.70000
   40    53    55    37.50000  110.70000
   40    53    57    58.35000  112.70000
   42    40    41    33.00000  107.80000
   53    40    41    37.50000  110.70000
   53    40    42    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    66    67    50.00000  109.50000
   57    66    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   66    33    37    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   70    66    67    50.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   43    37    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    37    40    58.35000  112.70000
   47    37    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    66    70.00000  112.02700
   38    51    52    35.00000  120.00000
   38    51    56    70.00000  123.01800
   51    38    39    35.00000  120.00000
   51    56    60    70.00000  123.01800
   51    56    62    70.00000  124.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    68    70.00000  123.01800
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   60    68    69    35.00000  120.00000
   60    68    74    70.00000  123.01800
   68    60    61    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    70.00000  123.01800
   74    68    69    35.00000  120.00000
   74    76    77    70.00000  123.01800
   74    76    79    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    83    70.00000  118.70000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    80.00000  125.30000
   77    83    85    90.00000  111.55000
   83    77    78    35.00000  119.70000
   83    85    86    35.00000  113.00000
   85    83    84   100.00000  123.32000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    56    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    66    57   0.44750  1.0 1.0
   29    33    66    57  -0.17800 -1.0 2.0
   29    33    66    57   0.20200  1.0 3.0
   29    33    66    67   0.56750  1.0 1.0
   29    33    66    67  -0.07550 -1.0 2.0
   29    33    66    67   0.20000  1.0 3.0
   29    33    66    70   0.44750  1.0 1.0
   29    33    66    70  -0.17800 -1.0 2.0
   29    33    66    70   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    51   0.42700  1.0 1.0
   29    33    38    51  -0.70350 -1.0 2.0
   29    33    38    51  -0.43150  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    53   0.56750  1.0 1.0
   33    37    40    53  -0.07550 -1.0 2.0
   33    37    40    53   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.15000  1.0 3.0
   33    66    70    71   0.15000  1.0 3.0
   33    66    70    72   0.15000  1.0 3.0
   33    66    70    73   0.15000  1.0 3.0
   33    38    51    52   7.00000 -1.0 2.0
   33    38    51    56   7.00000 -1.0 2.0
   37    33    66    57   0.56750  1.0 1.0
   37    33    66    57  -0.07550 -1.0 2.0
   37    33    66    57   0.20000  1.0 3.0
   37    33    66    67   0.62750  1.0 1.0
   37    33    66    67  -0.30950 -1.0 2.0
   37    33    66    67   0.27300  1.0 3.0
   37    33    66    70   0.56750  1.0 1.0
   37    33    66    70  -0.07550 -1.0 2.0
   37    33    66    70   0.20000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    51   0.09850  1.0 1.0
   37    33    38    51   0.15250 -1.0 2.0
   37    33    38    51  -0.50650  1.0 3.0
   37    40    53    54   0.15000  1.0 3.0
   37    40    53    55   0.15000  1.0 3.0
   37    40   -53    57   0.56750  1.0 1.0
   37    40   -53    57  -0.07550 -1.0 2.0
   37    40   -53    57   0.20000  1.0 3.0
   40    37    43    44   0.15000  1.0 3.0
   40    37    43    45   0.15000  1.0 3.0
   40    37    43    46   0.15000  1.0 3.0
   40    37    47    48   0.15000  1.0 3.0
   40    37    47    49   0.15000  1.0 3.0
   40    37    47    50   0.15000  1.0 3.0
   40    53    57    58   0.15000  1.0 3.0
   40    53    57    59   0.15000  1.0 3.0
   40    53    57    66   0.56750  1.0 1.0
   40    53    57    66  -0.07550 -1.0 2.0
   40    53    57    66   0.20000  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    55   0.15000  1.0 3.0
   41    40    53    57   0.15000  1.0 3.0
   42    40    53    54   0.15000  1.0 3.0
   42    40    53    55   0.15000  1.0 3.0
   42    40    53    57   0.15000  1.0 3.0
   53    57   -66    33   0.56750  1.0 1.0
   53    57   -66    33  -0.07550 -1.0 2.0
   53    57   -66    33   0.20000  1.0 3.0
   53    57    66    67   0.62750  1.0 1.0
   53    57    66    67  -0.30950 -1.0 2.0
   53    57    66    67   0.27300  1.0 3.0
   53    57    66    70   0.56750  1.0 1.0
   53    57    66    70  -0.07550 -1.0 2.0
   53    57    66    70   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    66   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    59   0.15000  1.0 3.0
   55    53    57    66   0.15000  1.0 3.0
   57    66    70    71   0.15000  1.0 3.0
   57    66    70    72   0.15000  1.0 3.0
   57    66    70    73   0.15000  1.0 3.0
   58    57    66    33   0.15000  1.0 3.0
   58    57    66    67   0.23400  1.0 3.0
   58    57    66    70   0.15000  1.0 3.0
   59    57    66    33   0.15000  1.0 3.0
   59    57    66    67   0.23400  1.0 3.0
   59    57    66    70   0.15000  1.0 3.0
   66    33   -37    40   0.56750  1.0 1.0
   66    33   -37    40  -0.07550 -1.0 2.0
   66    33   -37    40   0.20000  1.0 3.0
   66    33    37    43   0.56750  1.0 1.0
   66    33    37    43  -0.07550 -1.0 2.0
   66    33    37    43   0.20000  1.0 3.0
   66    33    37    47   0.56750  1.0 1.0
   66    33    37    47  -0.07550 -1.0 2.0
   66    33    37    47   0.20000  1.0 3.0
   66    33    38    39   0.00000  1.0 1.0
   66    33    38    51   0.09850  1.0 1.0
   66    33    38    51   0.15250 -1.0 2.0
   66    33    38    51  -0.50650  1.0 3.0
   67    66    70    71   0.23400  1.0 3.0
   67    66    70    72   0.23400  1.0 3.0
   67    66    70    73   0.23400  1.0 3.0
   43    37    40    41   0.15000  1.0 3.0
   43    37    40    42   0.15000  1.0 3.0
   43    37    40    53   0.56750  1.0 1.0
   43    37    40    53  -0.07550 -1.0 2.0
   43    37    40    53   0.20000  1.0 3.0
   43    37    47    48   0.15000  1.0 3.0
   43    37    47    49   0.15000  1.0 3.0
   43    37    47    50   0.15000  1.0 3.0
   47    37    40    41   0.15000  1.0 3.0
   47    37    40    42   0.15000  1.0 3.0
   47    37    40    53   0.56750  1.0 1.0
   47    37    40    53  -0.07550 -1.0 2.0
   47    37    40    53   0.20000  1.0 3.0
   47    37    43    44   0.15000  1.0 3.0
   47    37    43    45   0.15000  1.0 3.0
   47    37    43    46   0.15000  1.0 3.0
   38    33    37    40   0.34400  1.0 1.0
   38    33    37    40   0.09450 -1.0 2.0
   38    33    37    40   0.11100  1.0 3.0
   38    33    37    43   0.34400  1.0 1.0
   38    33    37    43   0.09450 -1.0 2.0
   38    33    37    43   0.11100  1.0 3.0
   38    33    37    47   0.34400  1.0 1.0
   38    33    37    47   0.09450 -1.0 2.0
   38    33    37    47   0.11100  1.0 3.0
   38    33    66    57   0.34400  1.0 1.0
   38    33    66    57   0.09450 -1.0 2.0
   38    33    66    57   0.11100  1.0 3.0
   38    33    66    67   0.61850  1.0 1.0
   38    33    66    67  -0.22750 -1.0 2.0
   38    33    66    67   0.15300  1.0 3.0
   38    33    66    70   0.34400  1.0 1.0
   38    33    66    70   0.09450 -1.0 2.0
   38    33    66    70   0.11100  1.0 3.0
   38    51    56    60   0.28850  1.0 1.0
   38    51    56    60   2.61350 -1.0 2.0
   38    51    56    60   0.78400  1.0 3.0
   38    51    56    62  -0.18600  1.0 3.0
   39    38    51    52   7.00000 -1.0 2.0
   39    38    51    56   7.00000 -1.0 2.0
   51    56    60    61   7.00000 -1.0 2.0
   51    56    60    68   7.00000 -1.0 2.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   51    56    62    65   0.00000  1.0 1.0
   52    51    56    60  -0.18600  1.0 3.0
   52    51    56    62   0.00000  1.0 1.0
   56    60    68    69  -0.18600  1.0 3.0
   56    60    68    74   0.28850  1.0 1.0
   56    60    68    74   2.61350 -1.0 2.0
   56    60    68    74   0.78400  1.0 3.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    64   0.00000  1.0 1.0
   60    56    62    65   0.00000  1.0 1.0
   60    68    74    75   7.00000 -1.0 2.0
   60    68    74    76   7.00000 -1.0 2.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    74  -0.18600  1.0 3.0
   68    74    76    77   0.28850  1.0 1.0
   68    74    76    77   2.61350 -1.0 2.0
   68    74    76    77   0.78400  1.0 3.0
   68    74    76    79  -0.18600  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.00000  1.0 1.0
   74    76    79    81   0.00000  1.0 1.0
   74    76    79    82   0.00000  1.0 1.0
   75    74    76    77  -0.18600  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   76    77    83    84   1.00000 -1.0 2.0
   76    77    83    85  -0.01000  1.0 1.0
   76    77    83    85   1.29850 -1.0 2.0
   76    77    83    85  -0.09550  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   77    83    85    86   1.22000  1.0 1.0
   77    83    85    86   0.17300 -1.0 2.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.81850 -1.0 2.0
   84    83    85    86   0.92200  1.0 1.0
   84    83    85    86   3.74100 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   62    56    60    61   7.00000 -1.0 2.0
   62    56    60    68   7.00000 -1.0 2.0
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
   33    39    38    51  15.00000 -1.0 2.0
   56    52    51    38  15.00000 -1.0 2.0
   51    62    56    60  15.00000 -1.0 2.0
   68    61    60    56  15.00000 -1.0 2.0
   60    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
   77    85    83    84  10.50000 -1.0 2.0
END
