* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    156    221     450
    1     0 S   NP   _N1_     1    28.86390    98.01408   -19.10000
    2     1 S   H    _HN1     2     1.02774    83.40953   -91.13949
    3     1 S   H    _H1_     3     1.02959    67.43343    21.99337
    4     1 S   H    _H2_     4     1.02820    56.94241   152.36843
    5     1 S   CT   _CA1     5     1.50201   163.39031   107.33550
    6     5 S   HC   _HA1     6     1.09567   105.12121    98.71665
    7     5 S   CO3  _C1_     7     1.53846   112.58137   -21.26241
    8     7 S   O2Z  _O11     8     1.26372   114.97087   -34.05341
    9     7 S   O2Z  _O12     9     1.26254   115.04661   144.82922
   10     5 S   CT   _CB1    10     1.53054   107.30767  -143.23477
   11    10 S   HC   HB11    11     1.09830   109.41954   -47.55565
   12    10 S   HC   HB12    12     1.09745   110.28369    68.99365
   13    10 S   CT   _CG1    13     1.52930   112.77214  -168.53049
   14    13 S   HC   HG11    14     1.09538   110.68762   -65.71027
   15    13 S   HC   HG12    15     1.09669   109.79733    53.50761
   16    13 S   C    _CD1    16     1.51801   112.30699   173.86956
   17    16 S   O    _OE1    17     1.22721   123.38246     5.07250
   18    16 S   N    _N2_    18     1.38631   111.58433  -174.96005
   19    18 S   H    _HN2    19     1.01580   118.85611     2.25325
   20    18 S   CT1  _CA2    20     1.46273   123.52906   178.62598
   21    20 S   HC   _HA2    21     1.09732   109.43171     2.80896
   22    20 S   C    _C2_    22     1.53497   108.68667  -112.82917
   23    22 S   O    _O2_    23     1.23056   122.25347  -147.93223
   24    20 S   CT   _CB2    32     1.53390   111.14808   124.85858
   25    24 S   HC   HB21    33     1.09290   109.36518    56.95856
   26    24 S   HC   HB22    34     1.09473   110.46530   175.12484
   27    22 S   N    _N3_    24     1.38317   113.70577    39.51720
   28    27 S   H    _HN3    25     1.01590   119.58668    -3.30310
   29    24 S   S    _SG2    35     1.82990   110.83624   -65.81585
   30    27 S   CT   _CA3    26     1.45290   123.21204   177.12288
   31    30 S   HC   HA31    27     1.09549   107.51110   -64.61567
   32    30 S   HC   HA32    28     1.09556   107.98443    51.82417
   33    29 S   CT   _C13    36     1.86157   102.15062   150.21609
   34    30 S   CO3  _C3_    29     1.52959   114.07609   173.82683
   35    34 S   O2Z  _O31    30     1.26376   116.06225    -0.47147
   36    34 S   O2Z  _O32    31     1.26425   114.41859   179.58741
   37    33 S   CO4  _C11    37     1.53601   107.94129   175.36384
   38    37 S   O    _O23    38     1.23154   122.84617    17.90909
   39    33 S   CT   _C16    83     1.54300   107.64949   -69.60105
   40    39 S   HC   _H33    84     1.09387   112.51480    69.03422
   41    39 S   HC   _H34    85     1.09655   111.50567   -52.65829
   42    39 S   HC   _H35    86     1.09594   111.95618  -171.16722
   43    37 S   CM   _C9_    39     1.50906   117.93518  -165.97385
   44    43 S   CM   _C8_    40     1.34762   120.50707    14.32568
   45    43 S   CT   _C21    53     1.51462   114.88738  -165.17121
   46    45 S   HC   _H44    54     1.09738   109.78062   -41.27328
   47    45 S   HC   _H45    55     1.09530   111.40182  -156.40115
   48    44 S   CO4  _C10    41     1.49984   120.49364     3.90254
   49    48 S   O    _O22    42     1.23148   120.47990  -173.65801
   50    44 S   CT   _C14    49     1.50451   125.18217  -175.51625
   51    50 S   HC   _H27    50     1.09571   110.49637   128.89330
   52    50 S   HC   _H28    51     1.09237   113.50186     9.89748
   53    50 S   HC   _H29    52     1.09489   110.14222  -111.32729
   54    45 S   CT   _C24    56     1.53191   111.12898    80.68807
   55    54 S   HC   _H50    57     1.09612   109.46877   -54.79447
   56    54 S   HC   _H51    58     1.09733   109.72642    62.15231
   57    33 S   CT   _C12    43     1.53950   112.72701    54.95408
   58    57 S   HC   _H26    44     1.09829   108.86458   -70.72856
   59    54 S   CT   _C23    59     1.53266   111.51173  -176.46714
   60    59 S   HC   _H48    60     1.09744   109.62000    56.69325
   61    59 S   HC   _H49    61     1.09694   108.98310   -60.07174
   62    57 S   CT   _C15    45     1.53458   115.78102    51.16383
   63    62 S   HC   _H30    46     1.09518   111.91825    53.38393
   64    62 S   HC   _H31    47     1.09343   111.87970   -68.16325
   65    62 S   HC   _H32    48     1.09634   110.66235   172.68077
   66    59 S   CT   _C18    62     1.53104   112.68305   179.28399
   67    66 S   HC   _H38    63     1.09622   108.85024   172.42091
   68    66 S   HC   _H39    64     1.09598   109.97691    55.60681
   69    66 S   CZ   _C5_    65     1.46965   111.85658   -66.96321
   70    69 S   CZ   _C4_    66     1.20101   177.93872    24.59136
   71    70 S   CT   _C17    67     1.46888   178.22855   -15.88483
   72    71 S   HC   _H36    68     1.09662   108.94686  -161.53825
   73    71 S   HC   _H37    69     1.09564   109.86183   -45.38769
   74    71 S   CT   _C22    70     1.53235   112.51337    78.05237
   75    74 S   HC   _H46    71     1.09777   109.15340    59.88939
   76    74 S   HC   _H47    72     1.09695   108.19094   175.40249
   77    74 S   CT   _C19    73     1.53216   115.17555   -62.08890
   78    77 S   HC   _H40    74     1.09662   108.54388   177.49392
   79    77 S   HC   _H41    75     1.09550   110.38630    61.43257
   80    77 S   CZ   _C6_    76     1.46863   112.76488   -61.78871
   81    80 S   CZ   _C7_    77     1.20095   179.02542   133.20155
   82    81 S   CT   _C20    78     1.46172   179.19351   -14.43589
   83    82 S   HC   _H42    79     1.09420   110.69323   -38.58402
   84    82 S   HC   _H43    80     1.09338   110.83740    81.93211
   85    82 S   OH   _O24    81     1.42069   109.76851  -158.27929
   86    85 S   HO   _H52    82     0.97210   106.87977  -178.15030
  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
  17   2   1   1  16   5   8   3   2   1  15  13  11   5   4  11
   4   4   2   1   1   9   5   4   5   4   7   5   4   3   2   1
   1   5   3   2   5   7   9   5   4   7   5   4   5   3   2   5
   5   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    57    58    62    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    57    58    62    63    64    65    45    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    57    58    62    50    45    46    47    54    39    40    41    42  
   43    44    57    45    39  
   40    41    42    43    48    57    58    62  
   41    42    57  
   42    57  
   57  
   44    48    49    57    50    51    52    53    45    46    47    54    55    56    59  
   48    49    57    58    62    50    51    52    53    45    46    47    54  
   46    47    54    55    56    59    60    61    66    48    50  
   47    54    55    56    59  
   54    55    56    59  
   49    57    58    62    63    64    65    50    51    52    53  
   57    58    62    50  
   51    52    53    57  
   52    53  
   53  
    0  
   55    56    59    60    61    66    67    68    69  
   56    59    60    61    66  
   59    60    61    66  
   58    62    63    64    65  
   62    63    64    65  
   60    61    66    67    68    69    70  
   61    66    67    68    69  
   66    67    68    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71  
   68    69    70  
   69    70  
   70    71    72    73    74  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82  
   79    80    81  
   80    81  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85    86  
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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   317.000  1.522
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   549.000  1.340
   43    45   317.000  1.510
   44    48   320.000  1.462
   44    50   317.000  1.510
   48    49   570.000  1.229
   48    57   317.000  1.522
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   390.000  1.470
   69    70   985.000  1.221
   70    71   390.000  1.470
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   390.000  1.470
   80    81   985.000  1.221
   81    82   390.000  1.470
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   320.000  1.410
   85    86   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    57    48    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  118.96000
   37    43    45    65.00000  116.34900
   43    37    38    80.00000  123.72100
   43    44    48    65.00000  118.96000
   43    44    50    70.00000  124.00000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    54    70.00000  112.02700
   44    48    49    80.00000  123.72100
   44    48    57    65.00000  118.62400
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   48    57    58    35.00000  109.50000
   48    57    62    63.00000  111.10000
   57    33    37    63.00000  111.10000
   57    48    49    80.00000  120.40000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   62    57    58    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   50    44    48    65.00000  116.34900
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    43    44    70.00000  124.00000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   45    54    59    58.35000  112.70000
   47    45    46    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    66    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    69    70    30.00000  179.48800
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  108.50000
   69    66    68    35.00000  108.50000
   69    70    71    30.00000  179.48800
   70    71    72    35.00000  108.50000
   70    71    73    35.00000  108.50000
   70    71    74    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    30.00000  179.48800
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  108.50000
   80    77    79    35.00000  108.50000
   80    81    82    30.00000  179.48800
   81    82    83    35.00000  108.50000
   81    82    84    35.00000  108.50000
   81    82    85    90.00000  111.78800
   82    85    86    55.00000  108.50000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    57    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    57    48   0.56750  1.0 1.0
   29    33    57    48  -0.07550 -1.0 2.0
   29    33    57    48   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    62   0.44750  1.0 1.0
   29    33    57    62  -0.17800 -1.0 2.0
   29    33    57    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.33500  1.0 1.0
   33    37    43    44   1.06600 -1.0 2.0
   33    37    43    44  -0.14000  1.0 3.0
   33    37    43    45   0.25700  1.0 1.0
   33    37    43    45   0.66200 -1.0 2.0
   33    37    43    45   0.04450  1.0 3.0
   33    57    62    63   0.15000  1.0 3.0
   33    57    62    64   0.15000  1.0 3.0
   33    57    62    65   0.15000  1.0 3.0
   37    33    57    48   0.11950  1.0 1.0
   37    33    57    48   0.20300 -1.0 2.0
   37    33    57    48  -0.70800  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    62  -0.95700  1.0 1.0
   37    33    57    62  -0.18200 -1.0 2.0
   37    33    57    62   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -44    48   7.00000 -1.0 2.0
   37    43    44    50   7.00000 -1.0 2.0
   37    43    45    46   0.15000  1.0 3.0
   37    43    45    47   0.15000  1.0 3.0
   37    43    45    54   0.09700  1.0 1.0
   37    43    45    54   0.15600 -1.0 2.0
   37    43    45    54  -0.50800  1.0 3.0
   38    37    43    44   1.00000 -1.0 2.0
   38    37    43    45  -0.64400  1.0 1.0
   38    37    43    45   0.26850 -1.0 2.0
   43    44    48    49   1.00000 -1.0 2.0
   43    44    48    57  -0.33500  1.0 1.0
   43    44    48    57   1.06600 -1.0 2.0
   43    44    48    57  -0.14000  1.0 3.0
   43    44    50    51   0.00000  1.0 1.0
   43    44    50    52   0.00000  1.0 1.0
   43    44    50    53   0.00000  1.0 1.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   0.15000  1.0 3.0
   43    45    54    59   0.34400  1.0 1.0
   43    45    54    59   0.09450 -1.0 2.0
   43    45    54    59   0.11100  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    54   0.09850  1.0 1.0
   44    43    45    54   0.15250 -1.0 2.0
   44    43    45    54  -0.50650  1.0 3.0
   44    48   -57    33   0.65300  1.0 1.0
   44    48   -57    33  -0.03850 -1.0 2.0
   44    48   -57    33   0.33900  1.0 3.0
   44    48    57    58   0.00000  1.0 1.0
   44    48    57    62   0.65300  1.0 1.0
   44    48    57    62  -0.03850 -1.0 2.0
   44    48    57    62   0.33900  1.0 3.0
   48    44    50    51   0.15000  1.0 3.0
   48    44    50    52   0.15000  1.0 3.0
   48    44    50    53   0.15000  1.0 3.0
   48    57    62    63  -0.11250  1.0 3.0
   48    57    62    64  -0.11250  1.0 3.0
   48    57    62    65  -0.11250  1.0 3.0
   49    48    57    33   0.30150 -1.0 2.0
   49    48    57    58   0.00000  1.0 1.0
   49    48    57    62   0.30150 -1.0 2.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    43   0.65300  1.0 1.0
   57    33   -37    43  -0.03850 -1.0 2.0
   57    33   -37    43   0.33900  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   50    44    48    49  -0.64400  1.0 1.0
   50    44    48    49   0.26850 -1.0 2.0
   50    44    48    57   0.25700  1.0 1.0
   50    44    48    57   0.66200 -1.0 2.0
   50    44    48    57   0.04450  1.0 3.0
   45    43    44    48   7.00000 -1.0 2.0
   45    43    44    50   7.00000 -1.0 2.0
   45    54    59    60   0.15000  1.0 3.0
   45    54    59    61   0.15000  1.0 3.0
   45    54    59    66   0.56750  1.0 1.0
   45    54    59    66  -0.07550 -1.0 2.0
   45    54    59    66   0.20000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   46    45    54    59   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    56   0.15000  1.0 3.0
   47    45    54    59   0.15000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    69  -0.74000  1.0 1.0
   54    59    66    69   0.24050 -1.0 2.0
   54    59    66    69   0.24650  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    66   0.15000  1.0 3.0
   59    66    69    70   0.00000  1.0 1.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    69    70    71   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   69    70    71    72   0.00000  1.0 1.0
   69    70    71    73   0.00000  1.0 1.0
   69    70    71    74   0.00000  1.0 1.0
   70    71    74    75   0.15000  1.0 3.0
   70    71    74    76   0.15000  1.0 3.0
   70    71    74    77  -0.74000  1.0 1.0
   70    71    74    77   0.24050 -1.0 2.0
   70    71    74    77   0.24650  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80  -0.74000  1.0 1.0
   71    74    77    80   0.24050 -1.0 2.0
   71    74    77    80   0.24650  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.00000  1.0 1.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   80    81    82    83   0.00000  1.0 1.0
   80    81    82    84   0.00000  1.0 1.0
   80    81    82    85   0.00000  1.0 1.0
   81    82    85    86   0.35600  1.0 1.0
   81    82    85    86  -0.10750 -1.0 2.0
   81    82    85    86  -0.54400  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    57    48  -0.95700  1.0 1.0
   39    33    57    48  -0.18200 -1.0 2.0
   39    33    57    48   0.29450  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    62   0.56750  1.0 1.0
   39    33    57    62  -0.07550 -1.0 2.0
   39    33    57    62   0.20000  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
   33    43    37    38  10.50000 -1.0 2.0
   37    45    43    44   1.10000 -1.0 2.0
   48    50    44    43   1.10000 -1.0 2.0
   44    57    48    49  10.50000 -1.0 2.0
END
