* LIGAND DATABASE FILE (OPLS2005)
*
001      99    98    177    242     503
    1     0 S   NP   _N1_     1    28.62730    94.00035   -21.86643
    2     1 S   H    _HN1     2     1.02782    95.63716   -56.61130
    3     1 S   H    _H1_     3     1.02948    87.69940    51.56383
    4     1 S   H    _H2_     4     1.02839    28.30940  -174.46898
    5     1 S   CT   _CA1     5     1.50120   138.38830   170.30957
    6     5 S   HC   _HA1     6     1.09580   105.26847    66.86138
    7     5 S   CO3  _C1_     7     1.53762   112.38157   -53.28039
    8     7 S   O2Z  _O11     8     1.26324   115.03561   -45.75927
    9     7 S   O2Z  _O12     9     1.26235   114.91241   133.50302
   10     5 S   CT   _CB1    10     1.53057   107.36107  -175.40160
   11    10 S   HC   HB11    11     1.09818   109.22673   -52.96248
   12    10 S   HC   HB12    12     1.09735   110.38462    63.43102
   13    10 S   CT   _CG1    13     1.52993   112.80823  -174.30357
   14    13 S   HC   HG11    14     1.09598   110.30636   -63.18955
   15    13 S   HC   HG12    15     1.09634   110.14355    56.05347
   16    13 S   C    _CD1    16     1.51784   112.21457   176.25341
   17    16 S   O    _OE1    17     1.22742   123.14835    -9.20605
   18    16 S   N    _N2_    18     1.38693   111.69571   171.42701
   19    18 S   H    _HN2    19     1.01584   119.09762     0.47478
   20    18 S   CT1  _CA2    20     1.46146   123.23361  -179.44539
   21    20 S   HC   _HA2    21     1.09617   109.02967   -14.63659
   22    20 S   C    _C2_    22     1.53326   108.43907  -129.94797
   23    22 S   O    _O2_    23     1.23003   122.31068  -145.07959
   24    20 S   CT   _CB2    32     1.53424   111.98774   107.23306
   25    24 S   HC   HB21    33     1.09581   110.37746    56.37112
   26    24 S   HC   HB22    34     1.09526   110.04700   175.52595
   27    22 S   N    _N3_    24     1.38524   113.25020    42.40242
   28    27 S   H    _HN3    25     1.01526   118.92290    -0.69097
   29    24 S   S    _SG2    35     1.82355   111.73162   -64.57325
   30    27 S   CT   _CA3    26     1.45431   123.35700   174.52392
   31    30 S   HC   HA31    27     1.09529   109.11332    26.69841
   32    30 S   HC   HA32    28     1.09489   107.15351   143.73397
   33    29 S   CT   _C22    36     1.82551    99.12251  -174.96456
   34    33 S   HC   _H27    37     1.09481   108.51801   -57.58533
   35    33 S   HC   _H28    38     1.09511   107.43343    59.72344
   36    30 S   CO3  _C3_    29     1.52959   113.22159   -96.64857
   37    36 S   O2Z  _O31    30     1.26396   115.49556   -41.69521
   38    36 S   O2Z  _O32    31     1.26369   114.91743   139.24982
   39    33 S   CT   _C21    39     1.53491   113.09840  -179.47549
   40    39 S   HC   _H3_    40     1.09673   108.80780   179.65338
   41    39 S   CT   _C20    41     1.52980   113.73871    58.26766
   42    41 S   HC   _H25    42     1.09535   111.00984   -71.24409
   43    41 S   HC   _H26    43     1.09606   110.22801    50.63619
   44    39 S   OH   _O34    98     1.42919   110.04483   -64.37538
   45    44 S   HO   _H29    99     0.97209   107.67355   -56.19684
   46    41 S   OS   _O33    44     1.43114   108.86810   170.35680
   47    46 S   CT   _C19    45     1.42863   111.59051  -173.71774
   48    47 S   HC   _H23    46     1.09361   109.69971   -39.60075
   49    47 S   HC   _H24    47     1.09514   108.54746    79.06586
   50    47 S   CM   _C18    48     1.49818   108.05501  -162.09235
   51    50 S   HC   _H22    49     1.08888   114.68382   -49.58596
   52    50 S   CM   _C17    50     1.34779   126.87971   129.27542
   53    52 S   CT   _C23    51     1.50518   120.62975  -178.16346
   54    53 S   HC   _H30    52     1.09468   110.37242   121.01466
   55    53 S   HC   _H31    53     1.09488   110.29218  -119.03751
   56    53 S   HC   _H32    54     1.09514   112.31477     0.99071
   57    52 S   CT   _C16    55     1.51276   124.01854     2.79225
   58    57 S   HC   _H20    56     1.09688   110.35580    30.25331
   59    57 S   HC   _H21    57     1.09833   109.25899   144.87143
   60    57 S   CT   _C15    58     1.53137   112.11373   -93.02303
   61    60 S   HC   _H18    59     1.09730   109.87448   -66.26372
   62    60 S   HC   _H19    60     1.09428   110.37122    49.92573
   63    60 S   CM   _C14    61     1.50413   110.86266   174.32788
   64    63 S   HC   _H17    62     1.08947   114.08110    70.75663
   65    63 S   CM   _C13    63     1.34809   127.73794  -110.10711
   66    65 S   CT   _C24    64     1.50694   119.99972  -179.59846
   67    66 S   HC   _H33    65     1.09422   110.67266   119.23335
   68    66 S   HC   _H34    66     1.09525   112.32590    -0.80551
   69    66 S   HC   _H35    67     1.09417   110.29599  -120.59038
   70    65 S   CT   _C12    68     1.51612   124.69336     2.08131
   71    70 S   HC   _H15    69     1.09773   108.15058   131.72594
   72    70 S   HC   _H16    70     1.09518   111.41461    17.27260
   73    70 S   CT   _C11    71     1.53558   114.31238  -107.16722
   74    73 S   HC   _H13    72     1.09513   108.80983  -173.72493
   75    73 S   HC   _H14    73     1.09687   110.22866   -58.88088
   76    73 S   CM   _C10    74     1.50449   112.80251    62.22917
   77    76 S   HC   _H12    75     1.08946   114.24119   -75.56779
   78    76 S   CM   _C9_    76     1.34690   127.79019   105.17327
   79    78 S   CT   _C25    77     1.50701   120.09262  -179.80719
   80    79 S   HC   _H36    78     1.09497   110.25971   121.35375
   81    79 S   HC   _H37    79     1.09527   112.32160     1.59299
   82    79 S   HC   _H38    80     1.09423   110.63942  -118.50591
   83    78 S   CT   _C8_    81     1.51293   124.55358    -1.70766
   84    83 S   HC   _H10    82     1.09531   111.02061   -19.72536
   85    83 S   HC   _H11    83     1.09808   108.64900  -134.80034
   86    83 S   CT   _C7_    84     1.53482   112.01643   103.48009
   87    86 S   HC   _H8_    85     1.09392   108.71617   -55.77560
   88    86 S   HC   _H9_    86     1.09643   109.76233    61.18660
   89    86 S   CM   _C6_    87     1.50443   111.52566  -179.44999
   90    89 S   HC   _H7_    88     1.08949   114.44889   -44.29080
   91    89 S   CM   _C5_    89     1.34697   127.78551   136.36929
   92    91 S   CT   _C4_    90     1.50612   120.37639  -179.42665
   93    92 S   HC   _H4_    91     1.09457   110.34835   123.20712
   94    92 S   HC   _H5_    92     1.09490   110.22426  -117.05835
   95    92 S   HC   _H6_    93     1.09514   112.41901     3.17188
   96    91 S   CT   _C26    94     1.50289   125.34504     1.50246
   97    96 S   HC   _H39    95     1.09545   109.94874   124.60068
   98    96 S   HC   _H40    96     1.09168   113.67982     4.88984
   99    96 S   HC   _H41    97     1.09415   110.27211  -116.21312
  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
