* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    173    263     514
    1     0 S   NP   _N1_     1    29.09656    96.73828   -19.56210
    2     1 S   H    _HN1     2     1.02777    79.20157   -85.95124
    3     1 S   H    _H1_     3     1.02955    78.82171    25.46498
    4     1 S   H    _H2_     4     1.02831    49.85692   149.27997
    5     1 S   CT   _CA1     5     1.50119   160.52674   145.85892
    6     5 S   HC   _HA1     6     1.09563   105.23001    61.96273
    7     5 S   CO3  _C1_     7     1.53809   112.50378   -58.36038
    8     7 S   O2Z  _O11     8     1.26366   114.96426   -39.13670
    9     7 S   O2Z  _O12     9     1.26229   115.00170   140.15708
   10     5 S   CT   _CB1    10     1.53096   107.45628  -179.86152
   11    10 S   HC   HB11    11     1.09820   109.49147   -48.18458
   12    10 S   HC   HB12    12     1.09827   110.38275    68.49527
   13    10 S   CT   _CG1    13     1.52961   112.59078  -169.18269
   14    13 S   HC   HG11    14     1.09472   110.54164   -62.44562
   15    13 S   HC   HG12    15     1.09659   109.95693    56.68976
   16    13 S   C    _CD1    16     1.51745   112.35571   176.94136
   17    16 S   O    _OE1    17     1.22717   123.29097    -3.71647
   18    16 S   N    _N2_    18     1.38628   111.59755   176.68146
   19    18 S   H    _HN2    19     1.01598   118.97986     0.80015
   20    18 S   CT1  _CA2    20     1.46151   123.32822   177.58711
   21    20 S   HC   _HA2    21     1.09739   109.35264    -7.68909
   22    20 S   C    _C2_    22     1.53441   108.25983  -123.03081
   23    22 S   O    _O2_    23     1.23025   122.40106  -147.44494
   24    20 S   CT   _CB2    32     1.53250   111.70410   114.49496
   25    24 S   HC   HB21    33     1.09534   110.23166    56.96067
   26    24 S   HC   HB22    34     1.09532   110.31697   174.97375
   27    22 S   N    _N3_    24     1.38369   113.46545    39.98304
   28    27 S   H    _HN3    25     1.01633   119.51314    -3.49704
   29    24 S   S    _SG2    35     1.82950   111.69418   -66.56890
   30    27 S   CT   _CA3    26     1.45287   123.15435   177.02988
   31    30 S   HC   HA31    27     1.09551   107.52477   -63.91962
   32    30 S   HC   HA32    28     1.09557   107.95682    52.50015
   33    29 S   CT   _C11    36     1.85026   100.31516   120.12535
   34    33 S   HC   _H3_    37     1.09647   106.53781   -42.61101
   35    30 S   CO3  _C3_    29     1.52941   114.10541   174.47288
   36    35 S   O2Z  _O31    30     1.26370   116.04663    -1.08534
   37    35 S   O2Z  _O32    31     1.26428   114.41636   178.97512
   38    33 S   CT   _C12    38     1.56058   109.30661  -159.55611
   39    38 S   HC   _H4_    39     1.09767   108.27031   -54.52311
   40    33 S   CT   _C10    72     1.54377   109.22209    73.93541
   41    40 S   HC   _H18    73     1.09606   108.31562  -158.34766
   42    40 S   HC   _H19    74     1.09625   112.39007   -43.04704
   43    38 S   CT   _C16    40     1.55691   113.21715  -175.67247
   44    43 S   HC   _H6_    41     1.09095   111.82905    18.56100
   45    40 S   CO4  _C9_    75     1.52531   115.25379    80.41734
   46    45 S   O    _O33    76     1.23046   121.79125   -48.35337
   47    43 S   CO4  _C15    42     1.51526   102.62189   -96.72269
   48    47 S   O    _O34    43     1.22543   123.80382   170.90601
   49    43 S   CT   _C17    51     1.53507   112.53821   143.49902
   50    49 S   HC   _H22    52     1.09631   109.26185   -41.25455
   51    49 S   HC   _H23    53     1.09647   111.06970    76.70081
   52    45 S   CT   _C8_    77     1.52115   116.42124   134.80724
   53    52 S   HC   _H16    78     1.09502   108.18517    78.00189
   54    52 S   HC   _H17    79     1.09494   108.29005   -39.11517
   55    47 S   CT   _C14    44     1.50281   112.88010    -7.73571
   56    55 S   HC   _H20    45     1.09298   108.13554   103.79449
   57    55 S   HC   _H21    46     1.09234   110.17470  -134.24101
   58    49 S   CT   _C18    54     1.53330   112.03531  -161.10917
   59    58 S   HC   _H24    55     1.09576   110.07879   -66.48840
   60    58 S   HC   _H25    56     1.09639   109.56300    51.10262
   61    52 S   CT   _C7_    80     1.52743   112.13233  -159.50092
   62    61 S   HC   _H14    81     1.09697   109.69207   -66.67678
   63    61 S   HC   _H15    82     1.09663   109.70894    50.10264
   64    38 S   CT   _C13    47     1.54542   113.04519    66.77239
   65    64 S   HC   _H5_    48     1.09252   114.57912   -35.92406
   66    58 S   CT   _C19    57     1.52992   111.21783   171.80140
   67    66 S   HC   _H26    58     1.09663   109.66870    61.77115
   68    66 S   HC   _H27    59     1.09672   109.49338   -55.51666
   69    61 S   CT   _C6_    83     1.52920   111.40195   171.49716
   70    69 S   HC   _H12    84     1.09670   109.58619   -56.44628
   71    69 S   HC   _H13    85     1.09672   109.58518    60.80905
   72    64 S   OH   _O37    49     1.42696   109.85312  -156.31200
   73    72 S   HO   _H34    50     0.97275   107.33221    64.94170
   74    66 S   CT   _C20    60     1.52928   111.31750  -176.53389
   75    74 S   HC   _H28    61     1.09679   109.57483    56.05824
   76    74 S   HC   _H29    62     1.09669   109.57943   -61.24047
   77    69 S   CT   _C5_    86     1.52838   111.36748  -177.57691
   78    77 S   HC   _H10    87     1.09613   109.86036   -60.15145
   79    77 S   HC   _H11    88     1.09613   109.89514    57.57985
   80    74 S   CT   _C21    63     1.52938   111.29015   177.18589
   81    80 S   HC   _H30    64     1.09709   109.50560   -57.91029
   82    80 S   HC   _H31    65     1.09696   109.58176    59.03912
   83    77 S   CT   _C4_    89     1.52030   111.49346   178.57907
   84    83 S   HC   _H7_    90     1.09459   111.00848   -59.94261
   85    83 S   HC   _H8_    91     1.09462   110.99406    60.56446
   86    83 S   HC   _H9_    92     1.09447   110.26700  -179.64612
   87    80 S   CT   _C22    66     1.52520   111.39991  -179.33973
   88    87 S   HC   _H32    67     1.09709   109.44729   -59.35541
   89    87 S   HC   _H33    68     1.09713   109.46634    57.96374
   90    87 S   CO3  _C23    69     1.53201   115.21754   179.22772
   91    90 S   O2Z  _O36    70     1.26527   114.02387   179.95154
   92    90 S   O2Z  _O35    71     1.26133   116.68150    -0.06853
  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  10   5   4   3
  17   8   2   1   1  20   9  10   4   3  16   8   8   4  11   5
  11   5   4   9   5   4   6   4   3   9   5   4   9   5   4   3
   2   9   5   4   9   5   4   1   1   9   5   4   6   5   4   8
   5   4   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    64    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    55    64    65    72    49    40    41    42    45    46    52  
   38    39    43    64    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    55    56    57    64    65    72    73    49    50    51    58    40    41    42    45  
   43    44    47    55    64    65    72    49    40  
   41    42    45    46    52    53    54    61    43    64  
   42    45    46    52  
   45    46    52  
   44    47    48    55    56    57    64    65    72    49    50    51    58    59    60    66  
   47    48    55    64    49    50    51    58  
   46    52    53    54    61    62    63    69  
   52    53    54    61  
   48    55    56    57    64    65    72    49    50    51    58  
   55    56    57    64    49  
   50    51    58    59    60    66    67    68    74    55    64  
   51    58    59    60    66  
   58    59    60    66  
   53    54    61    62    63    69    70    71    77  
   54    61    62    63    69  
   61    62    63    69  
   56    57    64    65    72    73  
   57    64    65    72  
   64    65    72  
   59    60    66    67    68    74    75    76    80  
   60    66    67    68    74  
   66    67    68    74  
   62    63    69    70    71    77    78    79    83  
   63    69    70    71    77  
   69    70    71    77  
   65    72    73  
   72    73  
   67    68    74    75    76    80    81    82    87  
   68    74    75    76    80  
   74    75    76    80  
   70    71    77    78    79    83    84    85    86  
   71    77    78    79    83  
   77    78    79    83  
   73  
    0  
   75    76    80    81    82    87    88    89    90  
   76    80    81    82    87  
   80    81    82    87  
   78    79    83    84    85    86  
   79    83    84    85    86  
   83    84    85    86  
   81    82    87    88    89    90    91    92  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    64   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.522
   43    49   268.000  1.529
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    72   320.000  1.410
   72    73   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   317.000  1.522
   90    91   656.000  1.250
   90    92   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    64    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    63.00000  111.10000
   38    43    49    58.35000  112.70000
   38    64    55    58.35000  112.70000
   38    64    65    37.50000  110.70000
   38    64    72    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    55    70.00000  116.00000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    64    63.00000  111.10000
   55    47    48    80.00000  120.40000
   55    64    65    37.50000  110.70000
   55    64    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    38    39    37.50000  110.70000
   64    38    43    58.35000  112.70000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    72    73    55.00000  108.50000
   72    64    65    35.00000  109.50000
   49    43    44    37.50000  110.70000
   49    43    47    63.00000  111.10000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    87    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    70.00000  109.69300
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    90    91    70.00000  117.00000
   87    90    92    70.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   92    90    91    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    80.00000  120.40000
   40    45    52    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    61    63.00000  111.10000
   52    45    46    80.00000  120.40000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    69    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    77    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    83    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    64   0.44750  1.0 1.0
   29    33    38    64  -0.17800 -1.0 2.0
   29    33    38    64   0.20200  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    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47  -0.95700  1.0 1.0
   33    38    43    47  -0.18200 -1.0 2.0
   33    38    43    47   0.29450  1.0 3.0
   33    38    43    49   0.56750  1.0 1.0
   33    38    43    49  -0.07550 -1.0 2.0
   33    38    43    49   0.20000  1.0 3.0
   33    38    64    55   0.56750  1.0 1.0
   33    38    64    55  -0.07550 -1.0 2.0
   33    38    64    55   0.20000  1.0 3.0
   33    38    64    65   0.15000  1.0 3.0
   33    38    64    72   0.86500  1.0 1.0
   33    38    64    72  -0.17500 -1.0 2.0
   33    38    64    72   0.20800  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.60050  1.0 1.0
   33    40    45    52   0.05600 -1.0 2.0
   33    40    45    52   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    64   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.95700  1.0 1.0
   38    33    40    45  -0.18200 -1.0 2.0
   38    33    40    45   0.29450  1.0 3.0
   38    43    47    48   0.30150 -1.0 2.0
   38    43   -47    55   0.60050  1.0 1.0
   38    43   -47    55   0.05600 -1.0 2.0
   38    43   -47    55   0.26150  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    58   0.56750  1.0 1.0
   38    43    49    58  -0.07550 -1.0 2.0
   38    43    49    58   0.20000  1.0 3.0
   38    64    72    73  -0.11600  1.0 1.0
   38    64    72    73  -0.09450 -1.0 2.0
   38    64    72    73   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47  -0.11250  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    64    55   0.15000  1.0 3.0
   39    38    64    65   0.15000  1.0 3.0
   39    38    64    72   0.23400  1.0 3.0
   43    38   -64    55   0.56750  1.0 1.0
   43    38   -64    55  -0.07550 -1.0 2.0
   43    38   -64    55   0.20000  1.0 3.0
   43    38    64    65   0.15000  1.0 3.0
   43    38    64    72   0.86500  1.0 1.0
   43    38    64    72  -0.17500 -1.0 2.0
   43    38    64    72   0.20800  1.0 3.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57   0.00000  1.0 1.0
   43    47   -55    64   0.60050  1.0 1.0
   43    47   -55    64   0.05600 -1.0 2.0
   43    47   -55    64   0.26150  1.0 3.0
   43    49    58    59   0.15000  1.0 3.0
   43    49    58    60   0.15000  1.0 3.0
   43    49    58    66   0.56750  1.0 1.0
   43    49    58    66  -0.07550 -1.0 2.0
   43    49    58    66   0.20000  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   47    43    49    50  -0.11250  1.0 3.0
   47    43    49    51  -0.11250  1.0 3.0
   47    43    49    58  -0.95700  1.0 1.0
   47    43    49    58  -0.18200 -1.0 2.0
   47    43    49    58   0.29450  1.0 3.0
   47    55   -64    38  -0.95700  1.0 1.0
   47    55   -64    38  -0.18200 -1.0 2.0
   47    55   -64    38   0.29450  1.0 3.0
   47    55    64    65  -0.11250  1.0 3.0
   47    55    64    72  -0.09450  1.0 1.0
   47    55    64    72  -1.12950 -1.0 2.0
   47    55    64    72   0.54000  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    64   0.30150 -1.0 2.0
   55    64    72    73  -0.11600  1.0 1.0
   55    64    72    73  -0.09450 -1.0 2.0
   55    64    72    73   0.21250  1.0 3.0
   56    55    64    38   0.15000  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    72   0.23400  1.0 3.0
   57    55    64    38   0.15000  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    72   0.23400  1.0 3.0
   64    38    43    44   0.15000  1.0 3.0
   64    38   -43    47  -0.95700  1.0 1.0
   64    38   -43    47  -0.18200 -1.0 2.0
   64    38   -43    47   0.29450  1.0 3.0
   64    38    43    49   0.56750  1.0 1.0
   64    38    43    49  -0.07550 -1.0 2.0
   64    38    43    49   0.20000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   49    43    47    48   0.30150 -1.0 2.0
   49    43    47    55   0.60050  1.0 1.0
   49    43    47    55   0.05600 -1.0 2.0
   49    43    47    55   0.26150  1.0 3.0
   49    58    66    67   0.15000  1.0 3.0
   49    58    66    68   0.15000  1.0 3.0
   49    58    66    74   0.56750  1.0 1.0
   49    58    66    74  -0.07550 -1.0 2.0
   49    58    66    74   0.20000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    66   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    66   0.15000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    80   0.56750  1.0 1.0
   58    66    74    80  -0.07550 -1.0 2.0
   58    66    74    80   0.20000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    74   0.15000  1.0 3.0
   66    74    80    81   0.15000  1.0 3.0
   66    74    80    82   0.15000  1.0 3.0
   66    74    80    87   0.56750  1.0 1.0
   66    74    80    87  -0.07550 -1.0 2.0
   66    74    80    87   0.20000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    80   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    80   0.15000  1.0 3.0
   74    80    87    88   0.15000  1.0 3.0
   74    80    87    89   0.15000  1.0 3.0
   74    80    87    90  -1.63150  1.0 1.0
   74    80    87    90  -0.43550 -1.0 2.0
   74    80    87    90   0.24500  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    87   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    87   0.15000  1.0 3.0
   80    87    90    91   0.41150 -1.0 2.0
   80    87    90    92   0.41150 -1.0 2.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90  -0.11250  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90  -0.11250  1.0 3.0
   88    87    90    91   0.00000  1.0 1.0
   88    87    90    92   0.00000  1.0 1.0
   89    87    90    91   0.00000  1.0 1.0
   89    87    90    92   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33    38    64   0.56750  1.0 1.0
   40    33    38    64  -0.07550 -1.0 2.0
   40    33    38    64   0.20000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    61   0.60050  1.0 1.0
   40    45    52    61   0.05600 -1.0 2.0
   40    45    52    61   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    52   0.00000  1.0 1.0
   45    52    61    62  -0.11250  1.0 3.0
   45    52    61    63  -0.11250  1.0 3.0
   45    52    61    69  -0.95700  1.0 1.0
   45    52    61    69  -0.18200 -1.0 2.0
   45    52    61    69   0.29450  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    61   0.30150 -1.0 2.0
   52    61    69    70   0.15000  1.0 3.0
   52    61    69    71   0.15000  1.0 3.0
   52    61    69    77   0.56750  1.0 1.0
   52    61    69    77  -0.07550 -1.0 2.0
   52    61    69    77   0.20000  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    69   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    69   0.15000  1.0 3.0
   61    69    77    78   0.15000  1.0 3.0
   61    69    77    79   0.15000  1.0 3.0
   61    69    77    83   0.56750  1.0 1.0
   61    69    77    83  -0.07550 -1.0 2.0
   61    69    77    83   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    77   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    77   0.15000  1.0 3.0
   69    77    83    84   0.15000  1.0 3.0
   69    77    83    85   0.15000  1.0 3.0
   69    77    83    86   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    83   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    83   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    55    47    48  10.50000 -1.0 2.0
   91    87    90    92  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
END
