* LIGAND DATABASE FILE (OPLS2005)
*
001      99    98    177    242     503
    1     0 S   NP   _N1_     1    28.99950    95.45288   -18.70836
    2     1 S   H    _HN1     2     1.02768    80.50177   -78.06799
    3     1 S   H    _H1_     3     1.02950    86.99979    31.21831
    4     1 S   H    _H2_     4     1.02827    41.81617   150.95217
    5     1 S   CT   _CA1     5     1.50210   152.14303   161.38195
    6     5 S   HC   _HA1     6     1.09569   105.09559    51.84887
    7     5 S   CO3  _C1_     7     1.53867   112.53368   -68.03607
    8     7 S   O2Z  _O11     8     1.26383   114.95622   -34.07178
    9     7 S   O2Z  _O12     9     1.26242   115.02736   144.78405
   10     5 S   CT   _CB1    10     1.53092   107.34329   169.84429
   11    10 S   HC   HB11    11     1.09830   109.42153   -47.55069
   12    10 S   HC   HB12    12     1.09747   110.33679    68.97428
   13    10 S   CT   _CG1    13     1.52955   112.76166  -168.46496
   14    13 S   HC   HG11    14     1.09461   110.68863   -64.97305
   15    13 S   HC   HG12    15     1.09674   109.77038    54.13817
   16    13 S   C    _CD1    16     1.51834   112.38403   174.47256
   17    16 S   O    _OE1    17     1.22765   123.34623     4.69394
   18    16 S   N    _N2_    18     1.38691   111.58981  -175.29989
   19    18 S   H    _HN2    19     1.01608   118.99532    -1.08822
   20    18 S   CT1  _CA2    20     1.46112   123.28755   176.80800
   21    20 S   HC   _HA2    21     1.09554   108.96091   -13.35090
   22    20 S   C    _C2_    22     1.53443   108.41427  -128.06424
   23    22 S   O    _O2_    23     1.23024   122.37855  -148.75569
   24    20 S   CT   _CB2    32     1.53378   112.10465   109.38080
   25    24 S   HC   HB21    33     1.09649   109.55996    60.17290
   26    24 S   HC   HB22    34     1.09561   111.07805   177.68260
   27    22 S   N    _N3_    24     1.38374   113.41843    38.89871
   28    27 S   H    _HN3    25     1.01648   119.48259    -3.76073
   29    24 S   S    _SG2    35     1.82696   114.29220   -59.50916
   30    27 S   CT   _CA3    26     1.45285   123.16265   176.87331
   31    30 S   HC   HA31    27     1.09551   107.57925   -62.72179
   32    30 S   HC   HA32    28     1.09557   107.89692    53.69350
   33    29 S   CT   _C22    36     1.82602    99.95277   -72.37592
   34    33 S   HC   _H27    37     1.09482   107.96986   -68.22231
   35    33 S   HC   _H28    38     1.09308   108.66395    49.14235
   36    30 S   CO3  _C3_    29     1.52942   114.09374   175.65138
   37    36 S   O2Z  _O31    30     1.26373   116.03469    -0.12511
   38    36 S   O2Z  _O32    31     1.26422   114.42184   179.91153
   39    33 S   CT   _C21    39     1.53458   113.48652   170.00503
   40    39 S   HC   _H3_    40     1.09677   108.41054   177.55095
   41    39 S   CT   _C20    41     1.52973   114.34428    55.48786
   42    41 S   HC   _H25    42     1.09620   110.92290   -79.58259
   43    41 S   HC   _H26    43     1.09554   110.64495    42.74091
   44    39 S   OH   _O34    98     1.43129   110.01965   -66.80636
   45    44 S   HO   _H29    99     0.97278   107.97757   -49.47963
   46    41 S   OS   _O33    44     1.43166   108.31774   161.14348
   47    46 S   CT   _C19    45     1.42463   111.81816   172.43709
   48    47 S   HC   _H23    46     1.09452   109.64717   -68.38261
   49    47 S   HC   _H24    47     1.09675   110.14189    49.90758
   50    47 S   CM   _C18    48     1.49752   108.23853   168.34561
   51    50 S   HC   _H22    49     1.08875   114.37950   -79.38176
   52    50 S   CM   _C17    50     1.34700   127.13864   102.13777
   53    52 S   CT   _C23    51     1.50551   120.57043   178.17254
   54    53 S   HC   _H30    52     1.09490   110.31854   119.51535
   55    53 S   HC   _H31    53     1.09447   110.47457  -120.45243
   56    53 S   HC   _H32    54     1.09519   112.28729    -0.43924
   57    52 S   CT   _C16    55     1.51117   123.89255    -4.40789
   58    57 S   HC   _H20    56     1.09858   108.86055  -136.99315
   59    57 S   HC   _H21    57     1.09703   110.53032   -22.46598
   60    57 S   CT   _C15    58     1.53186   112.61676   100.78507
   61    60 S   HC   _H18    59     1.09380   110.33841   -53.28210
   62    60 S   HC   _H19    60     1.09688   110.22123    63.45308
   63    60 S   CM   _C14    61     1.50207   109.90268  -177.47230
   64    63 S   HC   _H17    62     1.08997   113.84366   -69.80061
   65    63 S   CM   _C13    63     1.34745   128.25145   108.25880
   66    65 S   CT   _C24    64     1.50355   125.06592     1.89124
   67    66 S   HC   _H33    65     1.09492   109.86593   112.56640
   68    66 S   HC   _H34    66     1.09187   113.50338    -8.21501
   69    66 S   HC   _H35    67     1.09406   110.77190  -128.14032
   70    65 S   CT   _C12    68     1.51800   119.58385  -177.48254
   71    70 S   HC   _H15    69     1.09845   110.35847   -22.36146
   72    70 S   HC   _H16    70     1.09748   108.92449  -137.60119
   73    70 S   CT   _C11    71     1.53681   113.50362   100.50772
   74    73 S   HC   _H13    72     1.09405   110.35891    62.29831
   75    73 S   HC   _H14    73     1.09743   108.37614   177.26527
   76    73 S   CM   _C10    74     1.50674   112.63259   -63.88608
   77    76 S   HC   _H12    75     1.08935   114.19640   -67.28724
   78    76 S   CM   _C9_    76     1.34793   127.62159   113.12660
   79    78 S   CT   _C25    77     1.50604   120.40448  -179.90109
   80    79 S   HC   _H36    78     1.09507   110.22493   120.03845
   81    79 S   HC   _H37    79     1.09514   112.31756     0.17694
   82    79 S   HC   _H38    80     1.09446   110.52485  -119.94018
   83    78 S   CT   _C8_    81     1.51278   124.45412    -1.24819
   84    83 S   HC   _H10    82     1.09462   110.79865   -24.05565
   85    83 S   HC   _H11    83     1.09792   109.28131  -139.05106
   86    83 S   CT   _C7_    84     1.53026   111.67374    98.84912
   87    86 S   HC   _H8_    85     1.09489   110.49113   -48.53065
   88    86 S   HC   _H9_    86     1.09725   109.89924    67.44568
   89    86 S   CM   _C6_    87     1.50285   111.48232  -172.89483
   90    89 S   HC   _H7_    88     1.08864   114.28700   -78.14023
   91    89 S   CM   _C5_    89     1.34677   127.25885   103.48191
   92    91 S   CT   _C4_    90     1.50468   120.74102   177.41011
   93    92 S   HC   _H4_    91     1.09476   110.32169   117.45638
   94    92 S   HC   _H5_    92     1.09508   110.18671  -122.67954
   95    92 S   HC   _H6_    93     1.09385   112.42925    -2.92938
   96    91 S   CT   _C26    94     1.50299   124.97824    -2.73452
   97    96 S   HC   _H39    95     1.09475   110.13608   113.69667
   98    96 S   HC   _H40    96     1.09216   113.54141    -7.51468
   99    96 S   HC   _H41    97     1.09545   110.00425  -127.01516
  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   7   5   4   3
  10   5   4   2   1   1   8   6   9   4   3   2   1   6   7   4
   3  10   3  11   7   3   2   1   8   5   4   7   4   3  10   3
  11   7   3   2   1   8   5   4   7   4   3  10   3  11   7   3
   2   1   8   5   4   7   4   3  10   3   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    44    45  
   41    42    43    46    44    45  
   42    43    46    47    48    49    50    44    45  
   43    46    47    44  
   46    47    44  
   45    46  
    0  
   47    48    49    50    51    52  
   48    49    50    51    52    53    57  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57    58    59    60  
   52    53    57  
   53    54    55    56    57    58    59    60    61    62    63  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60    61    62    63    64    65  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    67    68    69    70    71    72    73    74    75    76  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    83  
   75    76    77    78  
   76    77    78  
   77    78    79    80    81    82    83    84    85    86  
   78    79    83  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    96  
   88    89    90    91  
   89    90    91  
   90    91    92    93    94    95    96    97    98    99  
   91    92    96  
   92    93    94    95    96    97    98    99  
   93    94    95    96    97    98    99  
   94    95    96  
   95    96  
   96  
   97    98    99  
   98    99  
   99  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    70   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   317.000  1.510
   78    83   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.510
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   317.000  1.510
   91    96   317.000  1.510
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   44    45   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    46    50.00000  109.50000
   39    44    45    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    46    47    60.00000  109.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    85.00000  110.90400
   47    50    51    35.00000  117.00000
   47    50    52    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    57    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    52    53    65.00000  117.92700
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    70    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    66    68    35.00000  109.50000
   65    66    69    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    70.00000  112.02700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    65.00000  117.92700
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    70.00000  112.02700
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    35.00000  117.00000
   73    76    78    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    70.00000  124.00000
   76    78    83    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    65.00000  117.92700
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  112.02700
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    35.00000  117.00000
   86    89    91    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   89    91    92    70.00000  124.00000
   89    91    96    70.00000  124.00000
   91    89    90    35.00000  120.00000
   91    92    93    35.00000  109.50000
   91    92    94    35.00000  109.50000
   91    92    95    35.00000  109.50000
   91    96    97    35.00000  109.50000
   91    96    98    35.00000  109.50000
   91    96    99    35.00000  109.50000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    91    92    65.00000  117.92700
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    46    47   0.06250  1.0 1.0
   39    41    46    47  -0.01100 -1.0 2.0
   39    41    46    47   0.28050  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45  -0.11600  1.0 1.0
   41    39    44    45  -0.09450 -1.0 2.0
   41    39    44    45   0.21250  1.0 3.0
   41    46    47    48   0.37050  1.0 3.0
   41    46    47    49   0.37050  1.0 3.0
   41    46    47    50  -0.77900  1.0 1.0
   41    46    47    50  -0.36900 -1.0 2.0
   41    46    47    50   0.40400  1.0 3.0
   42    41    46    47   0.37050  1.0 3.0
   43    41    46    47   0.37050  1.0 3.0
   46    47    50    51   0.00000  1.0 1.0
   46    47    50    52   0.39000  1.0 1.0
   46    47    50    52  -0.05800 -1.0 2.0
   46    47    50    52  -0.55150  1.0 3.0
   47    50    52    53   7.00000 -1.0 2.0
   47    50    52    57   7.00000 -1.0 2.0
   48    47    50    51   0.33100  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.33100  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    56   0.00000  1.0 1.0
   50    52    57    58   0.00000  1.0 1.0
   50    52    57    59   0.00000  1.0 1.0
   50    52    57    60   0.09850  1.0 1.0
   50    52    57    60   0.15250 -1.0 2.0
   50    52    57    60  -0.50650  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    57   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    63   0.31000  1.0 1.0
   52    57    60    63   0.14700 -1.0 2.0
   52    57    60    63   0.07550  1.0 3.0
   53    52    57    58   0.34800  1.0 3.0
   53    52    57    59   0.34800  1.0 3.0
   53    52    57    60   0.46850  1.0 1.0
   53    52    57    60   0.08550 -1.0 2.0
   53    52    57    60   0.09800  1.0 3.0
   57    52    53    54   0.34800  1.0 3.0
   57    52    53    55   0.34800  1.0 3.0
   57    52    53    56   0.34800  1.0 3.0
   57    60    63    64   0.00000  1.0 1.0
   57    60    63    65   0.09850  1.0 1.0
   57    60    63    65   0.15250 -1.0 2.0
   57    60    63    65  -0.50650  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    65    66   7.00000 -1.0 2.0
   60    63    65    70   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    66    68   0.00000  1.0 1.0
   63    65    66    69   0.00000  1.0 1.0
   63    65    70    71   0.00000  1.0 1.0
   63    65    70    72   0.00000  1.0 1.0
   63    65    70    73   0.09850  1.0 1.0
   63    65    70    73   0.15250 -1.0 2.0
   63    65    70    73  -0.50650  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    70   7.00000 -1.0 2.0
   65    70    73    74   0.15000  1.0 3.0
   65    70    73    75   0.15000  1.0 3.0
   65    70    73    76   0.31000  1.0 1.0
   65    70    73    76   0.14700 -1.0 2.0
   65    70    73    76   0.07550  1.0 3.0
   66    65    70    71   0.34800  1.0 3.0
   66    65    70    72   0.34800  1.0 3.0
   66    65    70    73   0.46850  1.0 1.0
   66    65    70    73   0.08550 -1.0 2.0
   66    65    70    73   0.09800  1.0 3.0
   70    65    66    67   0.34800  1.0 3.0
   70    65    66    68   0.34800  1.0 3.0
   70    65    66    69   0.34800  1.0 3.0
   70    73    76    77   0.00000  1.0 1.0
   70    73    76    78   0.09850  1.0 1.0
   70    73    76    78   0.15250 -1.0 2.0
   70    73    76    78  -0.50650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    78    79   7.00000 -1.0 2.0
   73    76    78    83   7.00000 -1.0 2.0
   74    73    76    77   0.33100  1.0 3.0
   74    73    76    78   0.00000  1.0 1.0
   75    73    76    77   0.33100  1.0 3.0
   75    73    76    78   0.00000  1.0 1.0
   76    78    79    80   0.00000  1.0 1.0
   76    78    79    81   0.00000  1.0 1.0
   76    78    79    82   0.00000  1.0 1.0
   76    78    83    84   0.00000  1.0 1.0
   76    78    83    85   0.00000  1.0 1.0
   76    78    83    86   0.09850  1.0 1.0
   76    78    83    86   0.15250 -1.0 2.0
   76    78    83    86  -0.50650  1.0 3.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    83   7.00000 -1.0 2.0
   78    83    86    87   0.15000  1.0 3.0
   78    83    86    88   0.15000  1.0 3.0
   78    83    86    89   0.31000  1.0 1.0
   78    83    86    89   0.14700 -1.0 2.0
   78    83    86    89   0.07550  1.0 3.0
   79    78    83    84   0.34800  1.0 3.0
   79    78    83    85   0.34800  1.0 3.0
   79    78    83    86   0.46850  1.0 1.0
   79    78    83    86   0.08550 -1.0 2.0
   79    78    83    86   0.09800  1.0 3.0
   83    78    79    80   0.34800  1.0 3.0
   83    78    79    81   0.34800  1.0 3.0
   83    78    79    82   0.34800  1.0 3.0
   83    86    89    90   0.00000  1.0 1.0
   83    86    89    91   0.09850  1.0 1.0
   83    86    89    91   0.15250 -1.0 2.0
   83    86    89    91  -0.50650  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   86    89    91    92   7.00000 -1.0 2.0
   86    89    91    96   7.00000 -1.0 2.0
   87    86    89    90   0.33100  1.0 3.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.33100  1.0 3.0
   88    86    89    91   0.00000  1.0 1.0
   89    91    92    93   0.00000  1.0 1.0
   89    91    92    94   0.00000  1.0 1.0
   89    91    92    95   0.00000  1.0 1.0
   89    91    96    97   0.00000  1.0 1.0
   89    91    96    98   0.00000  1.0 1.0
   89    91    96    99   0.00000  1.0 1.0
   90    89    91    92   7.00000 -1.0 2.0
   90    89    91    96   7.00000 -1.0 2.0
   92    91    96    97   0.34800  1.0 3.0
   92    91    96    98   0.34800  1.0 3.0
   92    91    96    99   0.34800  1.0 3.0
   96    91    92    93   0.34800  1.0 3.0
   96    91    92    94   0.34800  1.0 3.0
   96    91    92    95   0.34800  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    46   3.69350  1.0 1.0
   44    39    41    46  -1.82950 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   47    51    50    52  15.00000 -1.0 2.0
   53    57    52    50  15.00000 -1.0 2.0
   60    64    63    65  15.00000 -1.0 2.0
   66    70    65    63  15.00000 -1.0 2.0
   73    77    76    78  15.00000 -1.0 2.0
   79    83    78    76  15.00000 -1.0 2.0
   86    90    89    91  15.00000 -1.0 2.0
   92    96    91    89  15.00000 -1.0 2.0
END
