* LIGAND DATABASE FILE (OPLS2005)
*
001      98    97    171    248     498
    1     0 S   NP   _N1_     1    28.77383    95.89080   -21.66127
    2     1 S   H    _HN1     2     1.02946    76.36051     8.94696
    3     1 S   H    _H1_     3     1.02824    37.62516   152.91460
    4     1 S   H    _H2_     4     1.02778    98.09507   -98.14124
    5     1 S   CT   _CA1     5     1.50190   143.67423   114.85876
    6     5 S   HC   _HA1     6     1.09565   105.11757    83.09309
    7     5 S   CO3  _C1_     7     1.53815   112.42241   -37.00541
    8     7 S   O2Z  _O11     8     1.26410   114.99214   -37.99376
    9     7 S   O2Z  _O12     9     1.26219   115.05029   140.99574
   10     5 S   CT   _CB1    10     1.53095   107.35702  -158.82196
   11    10 S   HC   HB11    11     1.09830   109.44117   -46.59526
   12    10 S   HC   HB12    12     1.09824   110.39236    70.07059
   13    10 S   CT   _CG1    13     1.53012   112.70986  -167.50544
   14    13 S   HC   HG11    14     1.09474   110.55090   -65.29060
   15    13 S   HC   HG12    15     1.09666   109.85110    53.87211
   16    13 S   C    _CD1    16     1.51872   112.20424   174.15001
   17    16 S   O    _OE1    17     1.22754   123.22522     4.15690
   18    16 S   N    _N2_    18     1.38672   111.79776  -175.67491
   19    18 S   H    _HN2    19     1.01597   118.94231     0.61548
   20    18 S   CT1  _CA2    20     1.46306   123.33192   178.16112
   21    20 S   HC   _HA2    21     1.09719   109.30011     0.36584
   22    20 S   C    _C2_    22     1.53519   109.27044  -115.45189
   23    22 S   O    _O2_    23     1.23092   122.06467  -153.55552
   24    20 S   CT   _CB2    32     1.53335   111.39305   122.28628
   25    24 S   HC   HB21    33     1.09497   109.47699    59.21043
   26    24 S   HC   HB22    34     1.09514   110.78586   177.36359
   27    22 S   N    _N3_    24     1.38238   113.99925    33.62937
   28    27 S   H    _HN3    25     1.01605   119.53740    -3.24244
   29    24 S   S    _SG2    35     1.82861   111.36667   -63.18283
   30    27 S   CT   _CA3    26     1.45276   123.12842   177.55024
   31    30 S   HC   HA31    27     1.09551   107.56551   -63.35387
   32    30 S   HC   HA32    28     1.09572   107.89598    53.05086
   33    29 S   CT   _C20    36     1.84756    99.80112   136.74565
   34    33 S   HC   _H5_    37     1.09649   108.10765   -33.74458
   35    30 S   CO3  _C3_    29     1.52942   114.13266   175.02205
   36    35 S   O2Z  _O31    30     1.26368   116.07572     0.11191
   37    35 S   O2Z  _O32    31     1.26430   114.40674  -179.84677
   38    33 S   CM   _C19    38     1.50851   107.29119    85.24103
   39    38 S   HC   _H27    39     1.08854   117.14762    69.64689
   40    33 S   CT   _C21    78     1.54862   109.31423  -151.43545
   41    40 S   HC   _H6_    79     1.09877   109.65469   -54.21052
   42    38 S   CM   _C18    40     1.34263   122.97235  -110.66212
   43    42 S   HC   _H26    41     1.08549   118.55603     0.49258
   44    40 S   C    _C23    80     1.53182   110.65900    66.21011
   45    44 S   O    _O33    81     1.22947   122.48670    33.75128
   46    40 S   CT   _C22    95     1.53354   112.54018  -174.14961
   47    46 S   HC   _H28    96     1.09582   111.11954   -55.66493
   48    46 S   HC   _H29    97     1.09579   111.03628  -175.08478
   49    46 S   HC   _H30    98     1.09441   111.47106    65.24208
   50    42 S   CM   _C17    42     1.44660   123.27857  -179.66254
   51    50 S   HC   _H25    43     1.08925   115.86608     4.28724
   52    44 S   N    _N4_    82     1.38527   112.95534  -148.00245
   53    52 S   H    _H31    83     1.01501   119.42290    -2.26417
   54    50 S   CM   _C16    44     1.34336   127.12555  -175.77006
   55    54 S   HC   _H24    45     1.08923   117.03794  -179.64890
   56    52 S   CT   _C24    84     1.46198   122.49540   179.86438
   57    56 S   HC   _H7_    85     1.09590   107.04561   -33.51552
   58    54 S   CM   _C15    46     1.44730   127.07185     1.19009
   59    58 S   HC   _H23    47     1.08582   117.75715     0.82614
   60    56 S   CT   _C25    86     1.52577   110.04333    84.93491
   61    60 S   HC   _H32    87     1.09569   111.16311    60.76768
   62    60 S   HC   _H33    88     1.09532   111.00144   -58.80390
   63    60 S   HC   _H34    89     1.09481   110.95462  -178.73468
   64    56 S   CT   _C26    90     1.52961   110.62480  -152.24364
   65    64 S   HC   _H35    91     1.09484   110.70410  -175.47459
   66    64 S   HC   _H36    92     1.09535   111.42224   -54.24544
   67    58 S   CM   _C14    48     1.34327   123.29079   179.70261
   68    67 S   HC   _H22    49     1.08791   120.25575    -0.87312
   69    64 S   OH   _O34    93     1.42364   109.52758    65.67316
   70    69 S   HO   _H37    94     0.97228   107.01776   177.84587
   71    67 S   CM   _C12    50     1.45951   123.87319  -178.05811
   72    71 S   CM   _C11    51     1.34831   120.88501   -50.05152
   73    72 S   HC   _H18    52     1.09112   118.05577    -1.43967
   74    71 S   CT   _C13    74     1.50349   113.49371   130.87683
   75    74 S   HC   _H19    75     1.09610   110.59154    53.24960
   76    74 S   HC   _H20    76     1.09176   113.55996   172.89240
   77    74 S   HC   _H21    77     1.09563   110.21745   -66.40268
   78    72 S   CT   _C9_    53     1.51567   128.16432   176.66041
   79    78 S   HC   _H4_    54     1.09405   110.59534    -1.77828
   80    78 S   CT   _C10    55     1.53274   109.00775   115.50676
   81    80 S   HC   _H15    56     1.09567   112.09956    58.90970
   82    80 S   HC   _H16    57     1.09600   110.72784   -61.30304
   83    80 S   HC   _H17    58     1.09531   110.62621   179.47437
   84    78 S   CT   _C8_    59     1.55426   111.65242  -121.14138
   85    84 S   HC   _H3_    60     1.09786   108.22292   178.67588
   86    84 S   CM   _C6_    61     1.53103   113.33401    58.78620
   87    84 S   OH   _O35    72     1.43032   109.63197   -66.99886
   88    87 S   HO   _H38    73     0.97263   107.31495  -174.14877
   89    86 S   CM   _C5_    62     1.34938   122.28917  -105.55897
   90    89 S   HC   _H11    63     1.08864   118.54014     0.36904
   91    86 S   CT   _C7_    68     1.50748   113.98774    74.77177
   92    91 S   HC   _H12    69     1.09434   110.38402   -71.64783
   93    91 S   HC   _H13    70     1.09545   110.19399    47.97258
   94    91 S   HC   _H14    71     1.09187   113.53430   167.08404
   95    89 S   CT   _C4_    64     1.49525   128.39391   178.14713
   96    95 S   HC   _H8_    65     1.09486   109.19850  -125.69577
   97    95 S   HC   _H9_    66     1.09106   114.06166    -5.81359
   98    95 S   HC   _H10    67     1.09433   109.82808   115.97251
  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   9   5   4   3
  15   7   2   1   1  10   4  11   7   6   3  11   4   4   2   1
   1   6   3  11   4   6   3  10   8   6   3   7   3   2   1   4
   3   2   9   3   1   1  10  15   5   4   2   1   1  12   8   7
   3   2   1  11   5  12   3   1   9   5   4   2   1   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    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    42    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    40    41    44    45    52    46    47    48    49  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    50    51    54    40    41    44    46  
   42    43    50    40  
   41    44    45    52    53    56    46    47    48    49    42  
   44    45    52    46    47    48    49  
   43    50    51    54    55    58  
   50    51    54  
   45    52    53    56    57    60    64    46    47    48    49  
   52    53    56    46  
   47    48    49    52  
   48    49  
   49  
    0  
   51    54    55    58    59    67  
   54    55    58  
   53    56    57    60    61    62    63    64    65    66    69  
   56    57    60    64  
   55    58    59    67    68    71  
   58    59    67  
   57    60    61    62    63    64    65    66    69    70  
   60    61    62    63    64    65    66    69  
   59    67    68    71    72    74  
   67    68    71  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64  
   64  
   65    66    69    70  
   66    69    70  
   69    70  
   68    71    72    73    78    74    75    76    77  
   71    72    74  
   70  
    0  
   72    73    78    79    80    84    74    75    76    77  
   73    78    79    80    81    82    83    84    85    86    87    74    75    76    77  
   78    79    80    84    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    89    91    87    88  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    89    90    95    91    92    93    94    87    88  
   86    89    91    87    88  
   89    90    95    96    97    98    91    92    93    94    87    88  
   88    89    91  
    0  
   90    95    96    97    98    91    92    93    94  
   95    96    97    98    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98  
   97    98  
   98  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    50   380.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   380.000  1.444
   58    59   340.000  1.080
   58    67   549.000  1.340
   67    68   340.000  1.080
   67    71   380.000  1.444
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   317.000  1.510
   78    79   340.000  1.090
   78    80   268.000  1.529
   78    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   317.000  1.510
   84    87   320.000  1.410
   86    89   549.000  1.340
   86    91   317.000  1.510
   89    90   340.000  1.080
   89    95   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   87    88   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   268.000  1.529
   44    45   570.000  1.229
   44    52   490.000  1.335
   52    53   434.000  1.010
   52    56   337.000  1.449
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    50    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    50    51    35.00000  120.00000
   42    50    54    70.00000  123.01800
   50    42    43    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    67    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    67    68    35.00000  120.00000
   58    67    71    70.00000  123.01800
   67    58    59    35.00000  120.00000
   67    71    72    70.00000  123.01800
   67    71    74    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    70.00000  124.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  109.50000
   72    78    80    70.00000  112.02700
   72    78    84    70.00000  112.02700
   78    72    73    35.00000  117.00000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    70.00000  112.02700
   78    84    87    50.00000  109.50000
   80    78    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    58.35000  112.70000
   84    86    89    70.00000  124.00000
   84    86    91    65.00000  117.92700
   84    87    88    55.00000  108.50000
   86    84    85    35.00000  109.50000
   86    89    90    35.00000  120.00000
   86    89    95    70.00000  124.00000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    94    35.00000  109.50000
   89    95    96    35.00000  109.50000
   89    95    97    35.00000  109.50000
   89    95    98    35.00000  109.50000
   95    89    90    35.00000  117.00000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   91    86    89    70.00000  124.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    90.00000  110.39200
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    52    70.00000  116.60000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    52    53    35.00000  119.80000
   44    52    56    50.00000  121.90000
   52    44    45    80.00000  122.90000
   52    56    57    35.00000  109.50000
   52    56    60    70.00000  110.72300
   52    56    64    70.00000  110.72300
   56    52    53    38.00000  118.40000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    69    50.00000  109.50000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    60    58.35000  112.70000
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   46    40    41    37.50000  110.70000
   46    40    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    52   1.39750  1.0 1.0
   33    40    44    52  -0.07950 -1.0 2.0
   33    40    44    52  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    42    50    51  -0.18600  1.0 3.0
   38    42    50    54   0.28850  1.0 1.0
   38    42    50    54   2.61350 -1.0 2.0
   38    42    50    54   0.78400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    50   7.00000 -1.0 2.0
   42    50    54    55   7.00000 -1.0 2.0
   42    50    54    58   7.00000 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    54  -0.18600  1.0 3.0
   50    54    58    59  -0.18600  1.0 3.0
   50    54    58    67   0.28850  1.0 1.0
   50    54    58    67   2.61350 -1.0 2.0
   50    54    58    67   0.78400  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    67    68   7.00000 -1.0 2.0
   54    58    67    71   7.00000 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    67  -0.18600  1.0 3.0
   58    67    71    72   0.28850  1.0 1.0
   58    67    71    72   2.61350 -1.0 2.0
   58    67    71    72   0.78400  1.0 3.0
   58    67    71    74  -0.18600  1.0 3.0
   59    58    67    68   7.00000 -1.0 2.0
   59    58    67    71   7.00000 -1.0 2.0
   67    71    72    73   7.00000 -1.0 2.0
   67    71    72    78   7.00000 -1.0 2.0
   67    71    74    75   0.00000  1.0 1.0
   67    71    74    76   0.00000  1.0 1.0
   67    71    74    77   0.00000  1.0 1.0
   68    67    71    72  -0.18600  1.0 3.0
   68    67    71    74   0.00000  1.0 1.0
   71    72    78    79   0.00000  1.0 1.0
   71    72    78    80   0.09850  1.0 1.0
   71    72    78    80   0.15250 -1.0 2.0
   71    72    78    80  -0.50650  1.0 3.0
   71    72    78    84   0.09850  1.0 1.0
   71    72    78    84   0.15250 -1.0 2.0
   71    72    78    84  -0.50650  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81   0.15000  1.0 3.0
   72    78    80    82   0.15000  1.0 3.0
   72    78    80    83   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.31000  1.0 1.0
   72    78    84    86   0.14700 -1.0 2.0
   72    78    84    86   0.07550  1.0 3.0
   72    78    84    87   1.05650  1.0 1.0
   72    78    84    87   0.15600 -1.0 2.0
   72    78    84    87   0.53150  1.0 3.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    84   0.00000  1.0 1.0
   78    84    86    89   0.09850  1.0 1.0
   78    84    86    89   0.15250 -1.0 2.0
   78    84    86    89  -0.50650  1.0 3.0
   78    84    86    91   0.46850  1.0 1.0
   78    84    86    91   0.08550 -1.0 2.0
   78    84    86    91   0.09800  1.0 3.0
   78    84    87    88  -0.11600  1.0 1.0
   78    84    87    88  -0.09450 -1.0 2.0
   78    84    87    88   0.21250  1.0 3.0
   79    78    80    81   0.15000  1.0 3.0
   79    78    80    82   0.15000  1.0 3.0
   79    78    80    83   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.23400  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.34400  1.0 1.0
   80    78    84    86   0.09450 -1.0 2.0
   80    78    84    86   0.11100  1.0 3.0
   80    78    84    87   0.86500  1.0 1.0
   80    78    84    87  -0.17500 -1.0 2.0
   80    78    84    87   0.20800  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   84    86    89    90   7.00000 -1.0 2.0
   84    86    89    95   7.00000 -1.0 2.0
   84    86    91    92   0.34800  1.0 3.0
   84    86    91    93   0.34800  1.0 3.0
   84    86    91    94   0.34800  1.0 3.0
   85    84    86    89   0.00000  1.0 1.0
   85    84    86    91   0.34800  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88  -0.07800  1.0 1.0
   86    84    87    88  -0.21500 -1.0 2.0
   86    84    87    88  -0.03150  1.0 3.0
   86    89    95    96   0.00000  1.0 1.0
   86    89    95    97   0.00000  1.0 1.0
   86    89    95    98   0.00000  1.0 1.0
   89    86    91    92   0.00000  1.0 1.0
   89    86    91    93   0.00000  1.0 1.0
   89    86    91    94   0.00000  1.0 1.0
   90    89    95    96   0.33100  1.0 3.0
   90    89    95    97   0.33100  1.0 3.0
   90    89    95    98   0.33100  1.0 3.0
   91    86    89    90   7.00000 -1.0 2.0
   91    86    89    95   7.00000 -1.0 2.0
   87    84    86    89   0.67800  1.0 1.0
   87    84    86    89   0.47050 -1.0 2.0
   87    84    86    89  -0.62500  1.0 3.0
   87    84    86    91   0.18000  1.0 1.0
   87    84    86    91   0.16450 -1.0 2.0
   87    84    86    91   0.04450  1.0 3.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    52    53   2.45000 -1.0 2.0
   40    44    52    56   1.49850  1.0 1.0
   40    44    52    56   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    52   0.00000  1.0 1.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    49   0.15000  1.0 3.0
   44    40    46    47  -0.11250  1.0 3.0
   44    40    46    48  -0.11250  1.0 3.0
   44    40    46    49  -0.11250  1.0 3.0
   44    52    56    57   0.00000  1.0 1.0
   44    52    56    60  -0.43950  1.0 1.0
   44    52    56    60  -0.08100 -1.0 2.0
   44    52    56    60   0.03350  1.0 3.0
   44    52    56    64  -0.43950  1.0 1.0
   44    52    56    64  -0.08100 -1.0 2.0
   44    52    56    64   0.03350  1.0 3.0
   45    44    52    53   2.45000 -1.0 2.0
   45    44    52    56   3.04450 -1.0 2.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56    60    63   0.15000  1.0 3.0
   52    56    64    65   0.15000  1.0 3.0
   52    56    64    66   0.15000  1.0 3.0
   52    56    64    69   2.76900  1.0 1.0
   52    56    64    69  -0.24350 -1.0 2.0
   52    56    64    69  -0.78250  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    64   0.00000  1.0 1.0
   56    64    69    70  -0.11600  1.0 1.0
   56    64    69    70  -0.09450 -1.0 2.0
   56    64    69    70   0.21250  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    69   0.23400  1.0 3.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    69   0.86500  1.0 1.0
   60    56    64    69  -0.17500 -1.0 2.0
   60    56    64    69   0.20800  1.0 3.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    52   1.39750  1.0 1.0
   46    40    44    52  -0.07950 -1.0 2.0
   46    40    44    52  -0.18750  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
   33    39    38    42  15.00000 -1.0 2.0
   50    43    42    38  15.00000 -1.0 2.0
   42    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
   54    59    58    67  15.00000 -1.0 2.0
   71    68    67    58  15.00000 -1.0 2.0
   67    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   84    91    86    89  15.00000 -1.0 2.0
   95    90    89    86  15.00000 -1.0 2.0
   40    52    44    45  10.50000 -1.0 2.0
   53    44    52    56   1.00000 -1.0 2.0
END
