* LIGAND DATABASE FILE (OPLS2005)
*
001      95    99    190    307     570
    1     0 S   NP   _N1_     1    28.88451    94.33084   -25.20372
    2     1 S   H    _HN1     2     1.02949    84.81438     9.80674
    3     1 S   H    _H1_     3     1.02828    22.40531  -176.60656
    4     1 S   H    _H2_     4     1.02786   113.99805   -98.00278
    5     1 S   CT   _CA1     5     1.50109   122.84574   120.79028
    6     5 S   HC   _HA1     6     1.09572   105.19831    80.45222
    7     5 S   CO3  _C1_     7     1.53788   112.47274   -39.79294
    8     7 S   O2Z  _O11     8     1.26371   115.00782   -42.46788
    9     7 S   O2Z  _O12     9     1.26241   114.94806   136.68412
   10     5 S   CT   _CB1    10     1.53079   107.42173  -161.55772
   11    10 S   HC   HB11    11     1.09833   109.37785   -49.71129
   12    10 S   HC   HB12    12     1.09813   110.44490    66.89969
   13    10 S   CT   _CG1    13     1.52987   112.60181  -170.68797
   14    13 S   HC   HG11    14     1.09582   110.63001   -65.53983
   15    13 S   HC   HG12    15     1.09669   109.78680    53.69140
   16    13 S   C    _CD1    16     1.51797   112.23308   174.15276
   17    16 S   O    _OE1    17     1.22728   123.28242     6.71434
   18    16 S   N    _N2_    18     1.38647   111.65608  -173.31041
   19    18 S   H    _HN2    19     1.01570   118.92809     1.90516
   20    18 S   CT1  _CA2    20     1.46232   123.44658   177.76770
   21    20 S   HC   _HA2    21     1.09733   109.37252     4.45878
   22    20 S   C    _C2_    22     1.53579   108.56384  -111.08343
   23    22 S   O    _O2_    23     1.23061   122.33324  -147.03578
   24    20 S   CT   _CB2    32     1.53301   111.53889   126.49546
   25    24 S   HC   HB21    33     1.09597   110.02252    56.19764
   26    24 S   HC   HB22    34     1.09416   110.09041   175.24717
   27    22 S   N    _N3_    24     1.38344   113.71740    40.33946
   28    27 S   H    _HN3    25     1.01573   119.60568    -3.10835
   29    24 S   S    _SG2    35     1.82698   111.52429   -64.54232
   30    27 S   CT   _CA3    26     1.45287   123.21594   177.22011
   31    30 S   HC   HA31    27     1.09549   107.49054   -65.08247
   32    30 S   HC   HA32    28     1.09556   108.00919    51.36057
   33    29 S   CT   _C10    36     1.84688    99.60257   176.79228
   34    33 S   HC   _H3_    37     1.09605   107.63184   -18.89664
   35    30 S   CO3  _C3_    29     1.52962   114.08136   173.36966
   36    35 S   O2Z  _O31    30     1.26376   116.07434    -0.83556
   37    35 S   O2Z  _O32    31     1.26429   114.40990   179.23001
   38    33 S   CM   _C5_    38     1.51138   109.70501    97.53767
   39    38 S   CMA  _C4_    39     1.36073   126.04547   115.80737
   40    39 S   OM   _O23    40     1.26085   126.79369   177.48005
   41    38 S   OS   _O30    91     1.39703   114.22085   -64.39627
   42    39 S   CT   _C17    41     1.59896   119.42770    -0.45067
   43    41 S   CT   _C25    92     1.42673   111.36458   -85.01522
   44    43 S   HC   _H57    93     1.09400   107.78419  -173.28259
   45    43 S   HC   _H58    94     1.09422   111.08537    68.73225
   46    43 S   HC   _H59    95     1.09516   111.68704   -54.72181
   47    42 S   CT   _C11    42     1.59393   103.40350    35.18167
   48    47 S   HC   _H39    43     1.10242   106.86760    51.17729
   49    42 S   CT   _C22    87     1.55317   106.12297   -83.02977
   50    49 S   HC   _H48    88     1.08977   112.42712   160.64691
   51    49 S   HC   _H49    89     1.09507   112.54788    40.75591
   52    49 S   HC   _H50    90     1.09390   112.07426   -77.48581
   53    47 S   CT   _C8_    44     1.53452   115.31546   167.36357
   54    53 S   HC   _H34    45     1.09353   110.61933    71.93443
   55    53 S   HC   _H35    46     1.09704   108.82717  -172.03008
   56    33 S   CT   _C13    81     1.54720   109.21922  -135.11282
   57    56 S   HC   _H41    82     1.09751   110.70869   -26.47465
   58    53 S   CT   _C14    47     1.52673   112.53607   -54.45221
   59    58 S   HC   _H42    48     1.09820   107.41388  -178.01929
   60    56 S   CT   _C21    83     1.54006   109.07461    89.08068
   61    60 S   HC   _H45    84     1.09521   111.17726    70.85850
   62    60 S   HC   _H46    85     1.09535   111.23824   -49.50414
   63    60 S   HC   _H47    86     1.09445   111.31034  -168.10231
   64    58 S   CT   _C18    49     1.53474   112.08760    60.28011
   65    58 S   OS   _O25    63     1.44099   106.73770   -64.76690
   66    42 S   CT   _C12    50     1.61903   116.15543   155.21331
   67    66 S   HC   _H40    51     1.09891   102.54270   -41.07078
   68    64 S   CT   _C23    77     1.56353   105.75592    68.11621
   69    68 S   HC   _H51    78     1.09645   111.03932    60.10530
   70    68 S   HC   _H52    79     1.08828   113.25214   -58.31422
   71    68 S   HC   _H53    80     1.08869   114.43831  -179.28756
   72    66 S   CT   _C15    52     1.56215   118.51580    75.69750
   73    72 S   HC   _H43    53     1.09391   110.48890    74.63451
   74    72 S   CT   _C16    54     1.51954   110.00715  -162.25290
   75    74 S   HC   _H44    55     1.09885   109.85891    60.02933
   76    74 S   CT   _C20    56     1.53210   113.66714   -63.52321
   77    74 S   OS   _O27    72     1.42944   102.62608   172.08091
   78    64 S   CT   _C19    57     1.59064   107.44592  -174.71383
   79    76 S   CT   _C24    66     1.53643   110.04927   179.74436
   80    79 S   HC   _H54    67     1.09499   111.39994   179.64612
   81    79 S   HC   _H55    68     1.09660   110.70688    62.21493
   82    79 S   HC   _H56    69     1.09405   112.28358   -58.27491
   83    76 S   OH   _O29    70     1.43400   108.30653   -65.96172
   84    83 S   HO   _H61    71     0.97329   107.32236   169.74197
   85    77 S   CO   _C9_    73     1.43530   103.01130   -34.42281
   86    85 S   HC   _H36    74     1.09397   109.62892  -107.28019
   87    85 S   HC   _H37    75     1.09409   109.08408   132.87946
   88    78 S   CT   _C7_    58     1.54116   110.65816    50.99960
   89    88 S   HC   _H32    59     1.09766   109.45436  -162.16513
   90    88 S   HC   _H33    60     1.09423   111.82906    78.93229
   91    78 S   OH   _O28    64     1.44156   108.22364   -65.06769
   92    91 S   HO   _H60    65     0.97185   108.97694   172.26173
   93    72 S   OS   _O26    76     1.42229   119.84259   -46.36108
   94    88 S   CO4  _C6_    61     1.50355   116.19045   -42.63698
   95    94 S   O    _O24    62     1.22854   121.41502  -153.56077
  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
  16   7   2   1   1  14  16   5   6  22   3   2   1   1  21   9
   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1  21
   8  16   6   8   3   2   1  12   6  16   7  16   7  13   7   3
   2   1   3   1   3   2   1   6   4   3   2   1   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    56    57    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    48    53    56    57    60    61    62    63    41    43  
   38    39    47    56    57    60    41  
   36    37  
   37  
    0  
   39    40    42    47    66    56    57    60    49    41    43    44    45    46  
   40    42    47    48    53    64    66    67    72    56    49    50    51    52    41    43  
   42    47    66    49    41  
   43    44    45    46    42    56  
   47    48    53    54    55    58    64    66    67    72    73    74    78    93    68    56    57    60    49    50    51    52  
   44    45    46  
   45    46  
   46  
    0  
   48    53    54    55    58    59    64    66    67    72    65    56    57    60    61    62    63    49    50    51    52  
   53    54    55    58    66    56    57    60    49  
   50    51    52    53    56    64    66    67    72  
   51    52    66  
   52    66  
   66  
   54    55    58    59    64    66    78    94    65    68    56    57    60  
   55    58    59    64    65    56  
   58    59    64    65    56  
   57    60    61    62    63    58    66  
   60    61    62    63  
   59    64    66    67    72    76    78    88    94    95    65    91    68    69    70    71  
   64    66    78    94    65    68  
   61    62    63  
   62    63  
   63  
    0  
   66    67    72    73    74    76    78    88    89    90    94    65    91    92    79    83    93    68    69    70    71  
   68    66    78    88    89    90    94    95  
   67    72    73    74    75    76    78    88    91    77    85    93    68    69    70    71  
   72    73    74    78    93    68  
   69    70    71    72    76    78    88    91  
   70    71    78  
   71    78  
   78  
   73    74    75    76    78    79    83    77    85    86    87    93  
   74    75    76    77    85    93  
   75    76    78    88    91    79    80    81    82    83    84    77    85    86    87    93  
   76    78    79    83    77    85    93  
   78    88    89    90    94    91    92    79    80    81    82    83    84    77    85    93  
   85    86    87    93    78    79    83  
   88    89    90    94    95    91    92    79    80    81    82    83    84  
   80    81    82    83    84    88    91  
   81    82    83  
   82    83  
   83  
   84    88    91  
    0  
   86    87    93  
   87    93  
   93  
   89    90    94    95    91    92  
   90    94    95    91  
   94    95    91  
   92    94  
    0  
    0  
   95  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    47   268.000  1.529
   42    66   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    65   320.000  1.410
   64    66   268.000  1.529
   64    78   268.000  1.529
   64    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    93   320.000  1.410
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    77   320.000  1.410
   76    78   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   78    88   268.000  1.529
   78    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    94   317.000  1.522
   94    95   570.000  1.229
   94    65   214.000  1.327
   91    92   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   77    85   320.000  1.380
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  112.02700
   39    42    66    70.00000  112.02700
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    66    64    58.35000  112.70000
   42    66    67    37.50000  110.70000
   42    66    72    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    60    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    66    58.35000  112.70000
   58    64    78    58.35000  112.70000
   58    64    68    58.35000  112.70000
   58    65    94    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    72    58.35000  112.70000
   64    78    76    58.35000  112.70000
   64    78    88    58.35000  112.70000
   64    78    91    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    42    47    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    58.35000  112.70000
   66    72    93    50.00000  109.50000
   72    66    67    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    58.35000  112.70000
   72    74    77    50.00000  109.50000
   72    93    85    60.00000  109.50000
   74    72    73    37.50000  110.70000
   74    76    78    58.35000  112.70000
   74    76    79    58.35000  112.70000
   74    76    83    50.00000  109.50000
   74    77    85    60.00000  109.50000
   76    74    75    37.50000  110.70000
   76    78    88    58.35000  112.70000
   76    78    91    50.00000  109.50000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   78    64    66    58.35000  112.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    94    63.00000  111.10000
   78    91    92    55.00000  108.50000
   88    94    95    80.00000  120.40000
   88    94    65    81.00000  111.40000
   90    88    89    33.00000  107.80000
   94    88    89    35.00000  109.50000
   94    88    90    35.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    64    50.00000  109.50000
   65    94    95    83.00000  123.40000
   91    78    88    50.00000  109.50000
   79    76    78    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    78    50.00000  109.50000
   83    76    79    50.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    50.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    93    92.60000  111.55000
   87    85    86    33.00000  109.50000
   93    72    73    35.00000  109.50000
   93    72    74    50.00000  109.50000
   93    85    86    35.00000  109.50000
   93    85    87    35.00000  109.50000
   68    64    66    58.35000  112.70000
   68    64    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   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
   49    42    47    58.35000  112.70000
   49    42    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    43   2.00000 -1.0 2.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    62   0.15000  1.0 3.0
   33    56    60    63   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
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   57    56    60    63   0.15000  1.0 3.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    53   0.56750  1.0 1.0
   49    42    47    53  -0.07550 -1.0 2.0
   49    42    47    53   0.20000  1.0 3.0
   49    42    47    56   0.56750  1.0 1.0
   49    42    47    56  -0.07550 -1.0 2.0
   49    42    47    56   0.20000  1.0 3.0
   49    42    66    64   0.56750  1.0 1.0
   49    42    66    64  -0.07550 -1.0 2.0
   49    42    66    64   0.20000  1.0 3.0
   49    42    66    67   0.15000  1.0 3.0
   49    42    66    72   0.56750  1.0 1.0
   49    42    66    72  -0.07550 -1.0 2.0
   49    42    66    72   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   88    65    94    95  10.50000 -1.0 2.0
END
