* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    160    249     482
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   104.36707   -34.94867
    3     1 S   H    _H1_     3     1.02113    68.79479    69.92607
    4     1 S   H    _H2_     4     1.02092    44.22509  -137.09851
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C15    36     1.85891    97.00472   161.86670
   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   _C6_    37     1.54250   106.07833    39.95158
   38    37 S   HC   _H28    38     1.10019   110.58265    48.75628
   39    37 S   HC   _H29    39     1.09840   111.09422   -67.55771
   40    33 S   CT   _C18    82     1.53729   105.31154   -76.90604
   41    40 S   HC   _H43    83     1.08510   109.31524   -65.97969
   42    40 S   HC   _H44    84     1.08553   109.32025   173.99590
   43    40 S   HC   _H45    85     1.08604   109.34041    53.97606
   44    37 S   CT   _C8_    40     1.52759   112.82396   169.56176
   45    44 S   HC   _H31    41     1.09434   111.02636    65.31399
   46    44 S   CT   _C5_    42     1.52633   110.77935   -57.96172
   47    46 S   HC   _H26    43     1.09855   109.30612  -178.10163
   48    46 S   HC   _H27    44     1.09980   108.46430   -64.46527
   49    44 S   OS1  _O23    59     1.42620   109.16314  -176.82571
   50    46 S   CT   _C14    45     1.54718   113.61563    57.86387
   51    49 S   CO1  _C13    60     1.41897   111.32318   -90.24933
   52    51 S   HC   _H36    61     1.09732   107.42809    30.00525
   53    33 S   CT   _C7_    46     1.55966   108.81351   158.55715
   54    53 S   HC   _H30    47     1.10188   106.14001   -46.72960
   55    50 S   CT   _C16    51     1.54225   109.44868    75.21999
   56    55 S   HC   _H37    52     1.08377   109.07262   179.96574
   57    55 S   HC   _H38    53     1.08413   109.05361    60.04543
   58    55 S   HC   _H39    54     1.08342   109.10357   -59.96833
   59    50 S   CT   _C17    55     1.54985   107.44716  -169.44570
   60    59 S   HC   _H40    56     1.08216   108.66903   179.97202
   61    59 S   HC   _H41    57     1.08149   108.67803    59.99996
   62    59 S   HC   _H42    58     1.08096   108.71469   -59.99895
   63    51 S   CT   _C11    62     1.52929   107.81600   149.61585
   64    63 S   HC   _H34    63     1.09668   110.65960    51.37948
   65    53 S   CO4  _C4_    48     1.50924   112.33268    66.71838
   66    65 S   O    _O17    49     1.22666   123.43956  -114.57364
   67    65 S   HC   _H25    50     1.10250   115.57929    65.52104
   68    63 S   CT   _C9_    64     1.52889   111.30594   173.93845
   69    68 S   HC   _H32    65     1.09723   110.88611    74.81473
   70    63 S   OH5  _O21    80     1.42591   109.49911   -66.32099
   71    70 S   HO   _H50    81     0.96905   106.50185   -61.56324
   72    68 S   CT   _C10    66     1.52883   111.22822   -48.61394
   73    72 S   HC   _H33    67     1.09707   108.95683   -72.57538
   74    68 S   OH5  _O19    78     1.42832   109.14138  -168.27879
   75    74 S   HO   _H48    79     0.96868   106.36511    61.38414
   76    72 S   CT   _C12    68     1.53100   110.77858    49.59366
   77    76 S   HC   _H35    69     1.09847   110.50521    64.77737
   78    72 S   OH5  _O20    76     1.42565   108.05363   170.61140
   79    78 S   HO   _H49    77     0.96912   106.57991   -59.93114
   80    51 S   OS1  _O18    70     1.42545   109.82616   -89.90910
   81    76 S   CT   _C19    71     1.52504   112.25055  -175.09835
   82    81 S   HC   _H46    72     1.09006   109.94572    59.98303
   83    81 S   HC   _H47    73     1.09012   110.00717   -60.93523
   84    81 S   OH5  _O22    74     1.41637   108.55664   179.52895
   85    84 S   HO   _H51    75     0.97246   107.07763  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  19   2   1   1  17   7   6   8   3   2   1  13   6  16   6   5
   9  13  13   6  12   5   8   3   2   1   4   2   1   1  12   7
   2   1   1  13   7   4   1  12   7   3   1   9   6   3   1   4
   4   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    50    53    54    65    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    50    53    54    65    66    67    55    59    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    50    53    54    65    49    51    40    41    42    43  
   39    44    45    46    53    49    40  
   44    45    46    53    49    40  
   41    42    43    44    50    53    54    65  
   42    43    53  
   43    53  
   53  
   45    46    47    48    50    53    55    59    49    51    52    63    80  
   46    47    48    50    49    51  
   47    48    50    53    54    65    55    56    57    58    59    60    61    62    49    51  
   48    50    53    55    59    49  
   50    53    55    59    49  
   51    52    63    64    68    76    80    70    50  
   53    54    65    66    67    55    56    57    58    59    60    61    62  
   52    63    64    68    69    72    76    77    80    81    74    70    71  
   63    64    68    76    80    70  
   54    65    66    67    55    56    57    58    59    60    61    62  
   65    66    67    55    59  
   56    57    58    59    60    61    62    65  
   57    58    59  
   58    59  
   59  
   60    61    62    65  
   61    62  
   62  
    0  
   64    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   66    67  
   67  
    0  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   67   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   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    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   335.000  1.422
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    53   268.000  1.529
   50    55   268.000  1.529
   50    59   268.000  1.529
   53    54   340.000  1.090
   53    65   317.000  1.522
   65    66   570.000  1.229
   65    67   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   49    51   370.000  1.399
   51    52   360.000  1.097
   51    63   255.000  1.525
   51    80   370.000  1.399
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    53    50    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    65    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    49    95.00000  107.88500
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    49    51    90.00000  112.10700
   46    44    45    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    50    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    65    63.00000  111.10000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    37.50000  110.70000
   53    33    37    58.35000  112.70000
   53    65    66    80.00000  120.40000
   53    65    67    35.00000  115.00000
   65    53    54    35.00000  109.50000
   67    65    66    35.00000  123.00000
   55    50    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    53    58.35000  112.70000
   59    50    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   49    44    45    55.00000  108.98800
   49    44    46    95.00000  107.88500
   49    51    52    60.00000  105.75400
   49    51    63    90.00000  109.70700
   49    51    80   110.00000  113.16000
   51    63    64    45.00000  109.54000
   51    63    68    70.00000  111.10000
   51    63    70    90.00000  109.42000
   51    80    76    90.00000  112.10700
   63    51    52    45.00000  111.65000
   63    68    69    37.50000  110.70000
   63    68    72    58.35000  112.70000
   63    68    74    90.00000  111.45300
   63    70    71    65.00000  108.53500
   68    63    64    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    51    52    60.00000  105.75400
   80    51    63    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    63    64    60.00000  109.39000
   70    63    68    90.00000  111.45300
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    53    50   0.44750  1.0 1.0
   29    33    53    50  -0.17800 -1.0 2.0
   29    33    53    50   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    65   0.56750  1.0 1.0
   29    33    53    65  -0.07550 -1.0 2.0
   29    33    53    65   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.56750  1.0 1.0
   33    37    44    46  -0.07550 -1.0 2.0
   33    37    44    46   0.20000  1.0 3.0
   33    37    44    49   0.62750  1.0 1.0
   33    37    44    49  -0.30950 -1.0 2.0
   33    37    44    49   0.27300  1.0 3.0
   33    53    65    66   0.30150 -1.0 2.0
   33    53    65    67   0.74550  1.0 1.0
   33    53    65    67  -0.00500 -1.0 2.0
   37    33    53    50   0.56750  1.0 1.0
   37    33    53    50  -0.07550 -1.0 2.0
   37    33    53    50   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    65  -0.95700  1.0 1.0
   37    33    53    65  -0.18200 -1.0 2.0
   37    33    53    65   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    48   0.15000  1.0 3.0
   37    44   -46    50   0.56750  1.0 1.0
   37    44   -46    50  -0.07550 -1.0 2.0
   37    44   -46    50   0.20000  1.0 3.0
   37    44    49    51   0.06250  1.0 1.0
   37    44    49    51  -0.01100 -1.0 2.0
   37    44    49    51   0.28050  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    49   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    49   0.23400  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    55   0.56750  1.0 1.0
   44    46    50    55  -0.07550 -1.0 2.0
   44    46    50    55   0.20000  1.0 3.0
   44    46    50    59   0.56750  1.0 1.0
   44    46    50    59  -0.07550 -1.0 2.0
   44    46    50    59   0.20000  1.0 3.0
   44    49    51    52   0.37050  1.0 3.0
   44    49    51    63   0.06250  1.0 1.0
   44    49    51    63  -0.01100 -1.0 2.0
   44    49    51    63   0.28050  1.0 3.0
   44    49    51    80  -0.12700  1.0 1.0
   44    49    51    80  -1.16200 -1.0 2.0
   44    49    51    80   0.58800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    49    51   0.37050  1.0 3.0
   46    44    49    51   0.06250  1.0 1.0
   46    44    49    51  -0.01100 -1.0 2.0
   46    44    49    51   0.28050  1.0 3.0
   46    50   -53    33   0.56750  1.0 1.0
   46    50   -53    33  -0.07550 -1.0 2.0
   46    50   -53    33   0.20000  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    65  -0.95700  1.0 1.0
   46    50    53    65  -0.18200 -1.0 2.0
   46    50    53    65   0.29450  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    61   0.15000  1.0 3.0
   46    50    59    62   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    55   0.15000  1.0 3.0
   47    46    50    59   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    46    50    55   0.15000  1.0 3.0
   48    46    50    59   0.15000  1.0 3.0
   50    53    65    66   0.30150 -1.0 2.0
   50    53    65    67   0.74550  1.0 1.0
   50    53    65    67  -0.00500 -1.0 2.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    44   0.56750  1.0 1.0
   53    33   -37    44  -0.07550 -1.0 2.0
   53    33   -37    44   0.20000  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    43   0.15000  1.0 3.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   53    50    59    60   0.15000  1.0 3.0
   53    50    59    61   0.15000  1.0 3.0
   53    50    59    62   0.15000  1.0 3.0
   54    53    65    66   0.00000  1.0 1.0
   54    53    65    67   0.00000  1.0 1.0
   55    50    53    33   0.56750  1.0 1.0
   55    50    53    33  -0.07550 -1.0 2.0
   55    50    53    33   0.20000  1.0 3.0
   55    50    53    54   0.15000  1.0 3.0
   55    50    53    65  -0.95700  1.0 1.0
   55    50    53    65  -0.18200 -1.0 2.0
   55    50    53    65   0.29450  1.0 3.0
   55    50    59    60   0.15000  1.0 3.0
   55    50    59    61   0.15000  1.0 3.0
   55    50    59    62   0.15000  1.0 3.0
   59    50    53    33   0.56750  1.0 1.0
   59    50    53    33  -0.07550 -1.0 2.0
   59    50    53    33   0.20000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    65  -0.95700  1.0 1.0
   59    50    53    65  -0.18200 -1.0 2.0
   59    50    53    65   0.29450  1.0 3.0
   59    50    55    56   0.15000  1.0 3.0
   59    50    55    57   0.15000  1.0 3.0
   59    50    55    58   0.15000  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    50   0.62750  1.0 1.0
   49    44    46    50  -0.30950 -1.0 2.0
   49    44    46    50   0.27300  1.0 3.0
   49    51    63    64   0.23400  1.0 3.0
   49    51    63    68   0.62750  1.0 1.0
   49    51    63    68  -0.30950 -1.0 2.0
   49    51    63    68   0.27300  1.0 3.0
   49    51    63    70   1.51850  1.0 1.0
   49    51    80    76  -0.70400  1.0 1.0
   49    51    80    76  -0.90350 -1.0 2.0
   51    63    68    69   0.15000  1.0 3.0
   51    63    68    72   0.56750  1.0 1.0
   51    63    68    72  -0.07550 -1.0 2.0
   51    63    68    72   0.20000  1.0 3.0
   51    63    68    74  -0.47750  1.0 1.0
   51    63    70    71   0.29150  1.0 1.0
   51    63    70    71  -0.28350 -1.0 2.0
   51    63    70    71   0.43600  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    68   0.15000  1.0 3.0
   52    51    63    70   0.23400  1.0 3.0
   52    51    80    76   0.37050  1.0 3.0
   63    51    80    76   0.06250  1.0 1.0
   63    51    80    76  -0.01100 -1.0 2.0
   63    51    80    76   0.28050  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68   -72    76   0.56750  1.0 1.0
   63    68   -72    76  -0.07550 -1.0 2.0
   63    68   -72    76   0.20000  1.0 3.0
   63    68    72    78  -0.47750  1.0 1.0
   63    68    74    75   0.29150  1.0 1.0
   63    68    74    75  -0.28350 -1.0 2.0
   63    68    74    75   0.43600  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   64    63    68    74   0.23400  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   68    63    70    71   0.29150  1.0 1.0
   68    63    70    71  -0.28350 -1.0 2.0
   68    63    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    51   0.06250  1.0 1.0
   72    76   -80    51  -0.01100 -1.0 2.0
   72    76   -80    51   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    51   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    51    63    64   0.23400  1.0 3.0
   80    51   -63    68   0.62750  1.0 1.0
   80    51   -63    68  -0.30950 -1.0 2.0
   80    51   -63    68   0.27300  1.0 3.0
   80    51    63    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    51   0.06250  1.0 1.0
   81    76    80    51  -0.01100 -1.0 2.0
   81    76    80    51   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    63    68    69   0.23400  1.0 3.0
   70    63    68    72  -0.47750  1.0 1.0
   70    63    68    74   3.77950  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    53    50   0.56750  1.0 1.0
   40    33    53    50  -0.07550 -1.0 2.0
   40    33    53    50   0.20000  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    65  -0.95700  1.0 1.0
   40    33    53    65  -0.18200 -1.0 2.0
   40    33    53    65   0.29450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   53    67    65    66  10.50000 -1.0 2.0
END
