* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    170    247     492
    1     0 S   NP   _N1_     1    28.75046    95.26559   -25.64000
    2     1 S   H    _HN1     2     1.02792   118.50946   -95.36410
    3     1 S   H    _H1_     3     1.02948    76.42201     8.40462
    4     1 S   H    _H2_     4     1.02827    30.64870  -172.02130
    5     1 S   CT   _CA1     5     1.50125   123.29677   114.09891
    6     5 S   HC   _HA1     6     1.09575   105.15815    90.82014
    7     5 S   CO3  _C1_     7     1.53777   112.51658   -29.36879
    8     7 S   O2Z  _O11     8     1.26377   115.00152   -41.18501
    9     7 S   O2Z  _O12     9     1.26243   114.94976   137.86944
   10     5 S   CT   _CB1    10     1.53067   107.41009  -151.19757
   11    10 S   HC   HB11    11     1.09839   109.32479   -49.34376
   12    10 S   HC   HB12    12     1.09812   110.46772    67.25869
   13    10 S   CT   _CG1    13     1.53009   112.63686  -170.29254
   14    13 S   HC   HG11    14     1.09573   110.70549   -67.37993
   15    13 S   HC   HG12    15     1.09673   109.70892    51.86068
   16    13 S   C    _CD1    16     1.51811   112.08468   172.32985
   17    16 S   O    _OE1    17     1.22744   123.21566    11.13268
   18    16 S   N    _N2_    18     1.38654   111.75622  -168.84846
   19    18 S   H    _HN2    19     1.01565   118.93264     1.46072
   20    18 S   CT1  _CA2    20     1.46238   123.42845   176.81826
   21    20 S   HC   _HA2    21     1.09737   109.30736     7.23443
   22    20 S   C    _C2_    22     1.53672   108.79051  -108.27633
   23    22 S   O    _O2_    23     1.23075   122.26224  -148.47147
   24    20 S   CT   _CB2    32     1.53354   111.55355   129.24958
   25    24 S   HC   HB21    33     1.09584   109.97451    55.94850
   26    24 S   HC   HB22    34     1.09392   110.03224   174.93461
   27    22 S   N    _N3_    24     1.38321   113.84417    39.00595
   28    27 S   H    _HN3    25     1.01546   119.61774    -3.09288
   29    24 S   S    _SG2    35     1.82860   111.42078   -64.84369
   30    27 S   CT   _CA3    26     1.45285   123.28546   177.24196
   31    30 S   HC   HA31    27     1.09547   107.49948   -65.06570
   32    30 S   HC   HA32    28     1.09555   108.01115    51.39471
   33    29 S   CT   _C16    36     1.87954    99.81237   174.95644
   34    33 S   HC   _H4_    37     1.09428   103.10608   -31.32022
   35    30 S   CO3  _C3_    29     1.52980   114.03858   173.40052
   36    35 S   O2Z  _O31    30     1.26386   116.07852    -0.66234
   37    35 S   O2Z  _O32    31     1.26429   114.42046   179.39413
   38    33 S   CT   _C17    38     1.56383   106.63053    81.22510
   39    38 S   HC   _H5_    39     1.09727   108.86555   -50.74963
   40    33 S   CT   _C15    69     1.58940   112.43740  -144.94119
   41    40 S   OM   _O38    70     1.32331   110.55829   -70.28549
   42    38 S   CM   _C8_    40     1.49537   119.36439  -173.13847
   43    40 S   CT   _C19    71     1.55411   111.32572    48.31932
   44    43 S   HC   _H17    72     1.09739   113.40450   -69.52153
   45    43 S   HC   _H18    73     1.09884   111.63643   170.81770
   46    43 S   HC   _H19    74     1.09649   110.94934    51.44762
   47    42 S   CM   _C7_    41     1.33822   110.46777  -126.11431
   48    42 S   CT   _C9_    55     1.50689   120.25746    56.59576
   49    48 S   HC   _H3_    56     1.08833   108.45248   -18.70743
   50    47 S   CO4  _C18    42     1.46989   106.94062     1.25539
   51    50 S   O    _O37    43     1.21926   125.46234  -179.63684
   52    47 S   CT   _C6_    45     1.48495   131.90003  -174.60083
   53    52 S   HC   _H9_    46     1.09641   110.19765   135.35781
   54    52 S   HC   _H10    47     1.09483   111.33723    15.73446
   55    48 S   CT   _C10    57     1.54491   115.06011  -141.14268
   56    55 S   HC   _H11    58     1.09618   108.56901  -105.64448
   57    55 S   HC   _H12    59     1.09619   111.12791     8.78089
   58    48 S   OS   _O41    86     1.44935   107.87769    98.69395
   59    38 S   OS   _O36    44     1.43591   111.59433    66.05982
   60    52 S   OS   _O34    48     1.43497   108.25612  -105.35633
   61    55 S   CT   _C11    60     1.54819   116.19090   130.51843
   62    58 S   CO4  _C23    87     1.36280   117.97812   -96.11516
   63    62 S   O    _O42    88     1.22312   126.52313     0.32805
   64    60 S   CO4  _C5_    49     1.36184   115.57482   174.17634
   65    64 S   O    _O33    50     1.22331   126.25269     0.57164
   66    61 S   CO4  _C12    61     1.55137   110.66220   -83.98431
   67    66 S   O    _O35    62     1.23564   121.89373  -114.45248
   68    61 S   CT   _C20    75     1.53065   116.41939    42.95086
   69    68 S   HC   _H20    76     1.09426   111.55300    47.93537
   70    68 S   HC   _H21    77     1.09274   113.28256   -72.97016
   71    68 S   HC   _H22    78     1.09640   110.51691   166.71467
   72    61 S   OS   _O39    79     1.46939   108.19911   166.25049
   73    62 S   CT   _C24    89     1.49817   109.44048  -179.76179
   74    73 S   HC   _H26    90     1.09289   109.82077   -61.08756
   75    73 S   HC   _H27    91     1.09378   109.36126   179.86152
   76    73 S   HC   _H28    92     1.09292   109.82074    60.82633
   77    64 S   CT   _C4_    51     1.49822   109.56281  -179.26405
   78    77 S   HC   _H6_    52     1.09289   109.84305   -60.67962
   79    77 S   HC   _H7_    53     1.09378   109.36333  -179.72446
   80    77 S   HC   _H8_    54     1.09296   109.80167    61.22248
   81    66 S   CT   _C13    63     1.52051   119.43343    64.31807
   82    81 S   HC   _H13    64     1.08740   109.76059    26.52437
   83    81 S   HC   _H14    65     1.09724   107.08052   140.23922
   84    72 S   CO4  _C21    80     1.36057   122.27148   -68.60457
   85    84 S   O    _O40    81     1.22251   126.92834     0.06561
   86    81 S   CT   _C14    66     1.53375   111.44308   -99.59636
   87    86 S   HC   _H15    67     1.10286   106.48158   -76.43649
   88    86 S   HC   _H16    68     1.09340   110.69542    35.02677
   89    84 S   CT   _C22    82     1.49883   109.26303   179.91607
   90    89 S   HC   _H23    83     1.09293   109.81824   -61.39121
   91    89 S   HC   _H24    84     1.09380   109.37361   179.54716
   92    89 S   HC   _H25    85     1.09293   109.84067    60.52838
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  15   6  14   8  16   7   3   2   1  12  15
   6   6   2   7   3   2  14   6   5   7   1   6  14   5   4   5
   4  13   6   6   3   2   1   7   3   2   1   1   3   2   1   1
   5   4   3   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    59    86    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    50    59    48    81    86    87    88    40    41    43    44    45    46  
   38    39    42    59    86    40    41    43  
   36    37  
   37  
    0  
   39    42    47    50    51    59    52    48    49    55    86    40    41    43    58  
   42    47    50    59    48    40  
   41    43    44    45    46    42    59    66    81    82    83    86    87    88  
   43    44    45    46    81    86    87    88  
   47    50    51    59    52    53    54    60    48    49    55    56    57    61    58    62  
   44    45    46    81    86    87    88  
   45    46    86  
   46    86  
   86  
   50    51    59    52    53    54    60    64    48    49    55    58  
   49    55    56    57    61    66    68    72    58    62    63    73    50    52    59  
   55    56    57    61    58    62  
   51    59    52    53    54    60  
   59    52  
   53    54    60    64    65    77    59  
   54    60    64  
   60    64  
   56    57    61    66    67    81    68    69    70    71    72    84    58    62  
   57    61    66    68    72    58  
   61    66    68    72    58  
   62    63    73    74    75    76    61  
    0  
   64    65    77    78    79    80  
   66    67    81    82    83    86    68    69    70    71    72    84    85    89  
   63    73    74    75    76  
   73    74    75    76  
   65    77    78    79    80  
   77    78    79    80  
   67    81    82    83    86    87    88    68    69    70    71    72    84  
   81    82    83    86    68    72  
   69    70    71    72    84    81  
   70    71    72  
   71    72  
   72  
   84    85    89    90    91    92    81  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    83    86    87    88  
   83    86    87    88  
   86    87    88  
   85    89    90    91    92  
   89    90    91    92  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.138000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    59   320.000  1.410
   42    47   549.000  1.340
   42    48   317.000  1.510
   47    50   320.000  1.462
   47    52   317.000  1.510
   50    51   570.000  1.229
   50    59   214.000  1.327
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   320.000  1.410
   60    64   214.000  1.327
   64    65   570.000  1.229
   64    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   48    49   340.000  1.090
   48    55   268.000  1.529
   48    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    66   317.000  1.522
   61    68   268.000  1.529
   61    72   320.000  1.410
   66    67   570.000  1.229
   66    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    40   268.000  1.529
   40    41   570.000  1.307
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    84   214.000  1.327
   84    85   570.000  1.229
   84    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   58    62   214.000  1.327
   62    63   570.000  1.229
   62    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    59    50.00000  109.50000
   33    40    86    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    43    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    47    70.00000  124.00000
   38    42    48    65.00000  117.92700
   38    59    50    83.00000  116.90000
   42    38    39    35.00000  109.50000
   42    47    50    65.00000  118.96000
   42    47    52    70.00000  124.00000
   42    48    49    35.00000  109.50000
   42    48    55    70.00000  112.02700
   42    48    58    85.00000  110.90400
   47    50    51    80.00000  123.72100
   47    50    59    90.00000  111.29400
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    60    85.00000  110.90400
   59    38    39    35.00000  109.50000
   59    38    42    85.00000  110.90400
   59    50    51    83.00000  123.40000
   52    47    50    65.00000  116.34900
   52    60    64    83.00000  116.90000
   54    52    53    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    54    35.00000  109.50000
   60    64    65    83.00000  123.40000
   60    64    77    81.00000  111.40000
   64    77    78    35.00000  109.50000
   64    77    79    35.00000  109.50000
   64    77    80    35.00000  109.50000
   77    64    65    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   48    42    47    70.00000  124.00000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    61    58.35000  112.70000
   48    58    62    83.00000  116.90000
   55    48    49    37.50000  110.70000
   55    61    66    63.00000  111.10000
   55    61    68    58.35000  112.70000
   55    61    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    66    67    80.00000  120.40000
   61    66    81    70.00000  116.00000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   61    72    84    83.00000  116.90000
   66    81    82    35.00000  109.50000
   66    81    83    35.00000  109.50000
   66    81    86    63.00000  111.10000
   81    66    67    80.00000  120.40000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    40    58.35000  112.70000
   83    81    82    33.00000  107.80000
   86    81    82    37.50000  110.70000
   86    81    83    37.50000  110.70000
   86    40    41    50.00000  109.50000
   86    40    43    58.35000  112.70000
   88    86    87    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    86    87    37.50000  110.70000
   40    86    88    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   68    61    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    61    66    90.00000  108.74100
   72    61    68    50.00000  109.50000
   72    84    85    83.00000  123.40000
   72    84    89    81.00000  111.40000
   84    89    90    35.00000  109.50000
   84    89    91    35.00000  109.50000
   84    89    92    35.00000  109.50000
   89    84    85    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   58    48    49    35.00000  109.50000
   58    48    55    50.00000  109.50000
   58    62    63    83.00000  123.40000
   58    62    73    81.00000  111.40000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   62    73    76    35.00000  109.50000
   73    62    63    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    59   0.56750  1.0 1.0
   29    33    38    59  -0.07550 -1.0 2.0
   29    33    38    59   0.20000  1.0 3.0
   29    33    40    86   0.44750  1.0 1.0
   29    33    40    86  -0.17800 -1.0 2.0
   29    33    40    86   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    47   0.09850  1.0 1.0
   33    38    42    47   0.15250 -1.0 2.0
   33    38    42    47  -0.50650  1.0 3.0
   33    38    42    48   0.46850  1.0 1.0
   33    38    42    48   0.08550 -1.0 2.0
   33    38    42    48   0.09800  1.0 3.0
   33    38    59    50  -0.25900  1.0 1.0
   33    38    59    50  -0.47000 -1.0 2.0
   33    38    59    50   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    59   0.23400  1.0 3.0
   34    33    40    86   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    86   0.56750  1.0 1.0
   38    33    40    86  -0.07550 -1.0 2.0
   38    33    40    86   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    42   -47    50   7.00000 -1.0 2.0
   38    42    47    52   7.00000 -1.0 2.0
   38    42    48    49   0.34800  1.0 3.0
   38    42    48    55   0.46850  1.0 1.0
   38    42    48    55   0.08550 -1.0 2.0
   38    42    48    55   0.09800  1.0 3.0
   38    42    48    58   0.09700  1.0 1.0
   38    42    48    58   0.15600 -1.0 2.0
   38    42    48    58  -0.50800  1.0 3.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    42    48   0.34800  1.0 3.0
   39    38    59    50   0.08050  1.0 3.0
   42    38   -59    50  -0.82050  1.0 1.0
   42    38   -59    50   0.00600 -1.0 2.0
   42    38   -59    50   0.04400  1.0 3.0
   42    47    50    51   1.00000 -1.0 2.0
   42    47   -50    59  -0.56150  1.0 1.0
   42    47   -50    59   2.19150 -1.0 2.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    54   0.00000  1.0 1.0
   42    47    52    60   0.39000  1.0 1.0
   42    47    52    60  -0.05800 -1.0 2.0
   42    47    52    60  -0.55150  1.0 3.0
   42    48    55    56   0.15000  1.0 3.0
   42    48    55    57   0.15000  1.0 3.0
   42    48    55    61   0.34400  1.0 1.0
   42    48    55    61   0.09450 -1.0 2.0
   42    48    55    61   0.11100  1.0 3.0
   42    48    58    62  -0.82050  1.0 1.0
   42    48    58    62   0.00600 -1.0 2.0
   42    48    58    62   0.04400  1.0 3.0
   47    42    48    49   0.00000  1.0 1.0
   47    42    48    55   0.09850  1.0 1.0
   47    42    48    55   0.15250 -1.0 2.0
   47    42    48    55  -0.50650  1.0 3.0
   47    42    48    58   0.39000  1.0 1.0
   47    42    48    58  -0.05800 -1.0 2.0
   47    42    48    58  -0.55150  1.0 3.0
   47    50   -59    38   2.00000 -1.0 2.0
   47    52    60    64  -0.82050  1.0 1.0
   47    52    60    64   0.00600 -1.0 2.0
   47    52    60    64   0.04400  1.0 3.0
   50    47    52    53   0.15000  1.0 3.0
   50    47    52    54   0.15000  1.0 3.0
   50    47    52    60   0.09700  1.0 1.0
   50    47    52    60   0.15600 -1.0 2.0
   50    47    52    60  -0.50800  1.0 3.0
   51    50    59    38   3.00000 -1.0 2.0
   59    38   -42    47   0.39000  1.0 1.0
   59    38   -42    47  -0.05800 -1.0 2.0
   59    38   -42    47  -0.55150  1.0 3.0
   59    38    42    48   0.09700  1.0 1.0
   59    38    42    48   0.15600 -1.0 2.0
   59    38    42    48  -0.50800  1.0 3.0
   52    47    50    51  -0.64400  1.0 1.0
   52    47    50    51   0.26850 -1.0 2.0
   52    47    50    59  -0.15000  1.0 1.0
   52    47    50    59   0.89550 -1.0 2.0
   52    47    50    59  -0.06900  1.0 3.0
   52    60    64    65   3.00000 -1.0 2.0
   52    60    64    77   1.63150  1.0 1.0
   52    60    64    77   2.92000 -1.0 2.0
   53    52    60    64   0.08050  1.0 3.0
   54    52    60    64   0.08050  1.0 3.0
   60    64    77    78   0.00000  1.0 1.0
   60    64    77    79   0.00000  1.0 1.0
   60    64    77    80   0.00000  1.0 1.0
   65    64    77    78   0.00000  1.0 1.0
   65    64    77    79   0.00000  1.0 1.0
   65    64    77    80   0.00000  1.0 1.0
   48    42    47    50   7.00000 -1.0 2.0
   48    42    47    52   7.00000 -1.0 2.0
   48    55    61    66  -0.95700  1.0 1.0
   48    55    61    66  -0.18200 -1.0 2.0
   48    55    61    66   0.29450  1.0 3.0
   48    55    61    68   0.56750  1.0 1.0
   48    55    61    68  -0.07550 -1.0 2.0
   48    55    61    68   0.20000  1.0 3.0
   48    55    61    72   0.62750  1.0 1.0
   48    55    61    72  -0.30950 -1.0 2.0
   48    55    61    72   0.27300  1.0 3.0
   48    58    62    63   3.00000 -1.0 2.0
   48    58    62    73   1.63150  1.0 1.0
   48    58    62    73   2.92000 -1.0 2.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    61   0.15000  1.0 3.0
   49    48    58    62   0.08050  1.0 3.0
   55    48    58    62  -0.25900  1.0 1.0
   55    48    58    62  -0.47000 -1.0 2.0
   55    48    58    62   0.11750  1.0 3.0
   55    61    66    67   0.30150 -1.0 2.0
   55    61    66    81   0.60050  1.0 1.0
   55    61    66    81   0.05600 -1.0 2.0
   55    61    66    81   0.26150  1.0 3.0
   55    61    68    69   0.15000  1.0 3.0
   55    61    68    70   0.15000  1.0 3.0
   55    61    68    71   0.15000  1.0 3.0
   55    61    72    84  -0.25900  1.0 1.0
   55    61    72    84  -0.47000 -1.0 2.0
   55    61    72    84   0.11750  1.0 3.0
   56    55    61    66  -0.11250  1.0 3.0
   56    55    61    68   0.15000  1.0 3.0
   56    55    61    72   0.23400  1.0 3.0
   57    55    61    66  -0.11250  1.0 3.0
   57    55    61    68   0.15000  1.0 3.0
   57    55    61    72   0.23400  1.0 3.0
   61    66    81    82   0.00000  1.0 1.0
   61    66    81    83   0.00000  1.0 1.0
   61    66    81    86   0.60050  1.0 1.0
   61    66    81    86   0.05600 -1.0 2.0
   61    66    81    86   0.26150  1.0 3.0
   61    72    84    85   3.00000 -1.0 2.0
   61    72    84    89   1.63150  1.0 1.0
   61    72    84    89   2.92000 -1.0 2.0
   66    61    68    69  -0.11250  1.0 3.0
   66    61    68    70  -0.11250  1.0 3.0
   66    61    68    71  -0.11250  1.0 3.0
   66    61    72    84  -1.80650  1.0 1.0
   66    61    72    84   0.63900 -1.0 2.0
   66    61    72    84   0.03650  1.0 3.0
   66    81    86    87  -0.11250  1.0 3.0
   66    81    86    88  -0.11250  1.0 3.0
   66    81    86    40  -0.95700  1.0 1.0
   66    81    86    40  -0.18200 -1.0 2.0
   66    81    86    40   0.29450  1.0 3.0
   67    66    81    82   0.00000  1.0 1.0
   67    66    81    83   0.00000  1.0 1.0
   67    66    81    86   0.30150 -1.0 2.0
   81    86    40    33   0.56750  1.0 1.0
   81    86    40    33  -0.07550 -1.0 2.0
   81    86    40    33   0.20000  1.0 3.0
   81    86    40    41   0.62750  1.0 1.0
   81    86    40    41  -0.30950 -1.0 2.0
   81    86    40    41   0.27300  1.0 3.0
   81    86    40    43   0.56750  1.0 1.0
   81    86    40    43  -0.07550 -1.0 2.0
   81    86    40    43   0.20000  1.0 3.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    40   0.15000  1.0 3.0
   83    81    86    87   0.15000  1.0 3.0
   83    81    86    88   0.15000  1.0 3.0
   83    81    86    40   0.15000  1.0 3.0
   86    40    43    44   0.15000  1.0 3.0
   86    40    43    45   0.15000  1.0 3.0
   86    40    43    46   0.15000  1.0 3.0
   87    86    40    33   0.15000  1.0 3.0
   87    86    40    41   0.23400  1.0 3.0
   87    86    40    43   0.15000  1.0 3.0
   88    86    40    33   0.15000  1.0 3.0
   88    86    40    41   0.23400  1.0 3.0
   88    86    40    43   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    59   0.62750  1.0 1.0
   40    33    38    59  -0.30950 -1.0 2.0
   40    33    38    59   0.27300  1.0 3.0
   41    40    43    44   0.23400  1.0 3.0
   41    40    43    45   0.23400  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   68    61    66    67   0.30150 -1.0 2.0
   68    61    66    81   0.60050  1.0 1.0
   68    61    66    81   0.05600 -1.0 2.0
   68    61    66    81   0.26150  1.0 3.0
   68    61    72    84  -0.25900  1.0 1.0
   68    61    72    84  -0.47000 -1.0 2.0
   68    61    72    84   0.11750  1.0 3.0
   72    61    66    67   0.30150 -1.0 2.0
   72    61    66    81   0.55300  1.0 1.0
   72    61    66    81   1.25850 -1.0 2.0
   72    61    66    81  -0.23600  1.0 3.0
   72    61    68    69   0.23400  1.0 3.0
   72    61    68    70   0.23400  1.0 3.0
   72    61    68    71   0.23400  1.0 3.0
   72    84    89    90   0.00000  1.0 1.0
   72    84    89    91   0.00000  1.0 1.0
   72    84    89    92   0.00000  1.0 1.0
   85    84    89    90   0.00000  1.0 1.0
   85    84    89    91   0.00000  1.0 1.0
   85    84    89    92   0.00000  1.0 1.0
   58    48    55    56   0.23400  1.0 3.0
   58    48    55    57   0.23400  1.0 3.0
   58    48    55    61   0.62750  1.0 1.0
   58    48    55    61  -0.30950 -1.0 2.0
   58    48    55    61   0.27300  1.0 3.0
   58    62    73    74   0.00000  1.0 1.0
   58    62    73    75   0.00000  1.0 1.0
   58    62    73    76   0.00000  1.0 1.0
   63    62    73    74   0.00000  1.0 1.0
   63    62    73    75   0.00000  1.0 1.0
   63    62    73    76   0.00000  1.0 1.0
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
   38    48    42    47   1.10000 -1.0 2.0
   50    52    47    42   1.10000 -1.0 2.0
   47    59    50    51  10.50000 -1.0 2.0
   60    77    64    65  10.50000 -1.0 2.0
   61    81    66    67  10.50000 -1.0 2.0
   72    89    84    85  10.50000 -1.0 2.0
   58    73    62    63  10.50000 -1.0 2.0
END
