* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    158    233     459
    1     0 S   NP   _N1_     1    28.41057    93.67434   -23.09499
    2     1 S   H    _HN1     2     1.02835    24.08049   109.21988
    3     1 S   H    _H1_     3     1.02781    93.84183  -123.63651
    4     1 S   H    _H2_     4     1.02964    94.10715   -14.96531
    5     1 S   CT   _CA1     5     1.50115   134.85100   109.40886
    6     5 S   HC   _HA1     6     1.09568   105.29863    59.21701
    7     5 S   CO3  _C1_     7     1.53853   112.21605   -61.12570
    8     7 S   O2Z  _O11     8     1.26365   115.04811   -46.86852
    9     7 S   O2Z  _O12     9     1.26235   114.90315   132.22457
   10     5 S   CT   _CB1    10     1.53051   107.38682   177.17326
   11    10 S   HC   HB11    11     1.09826   109.56887   -50.19823
   12    10 S   HC   HB12    12     1.09784   110.21447    66.25546
   13    10 S   CT   _CG1    13     1.53035   112.69291  -171.25304
   14    13 S   HC   HG11    14     1.09596   110.46470   -59.18415
   15    13 S   HC   HG12    15     1.09621   110.08493    60.12122
   16    13 S   C    _CD1    16     1.51744   112.10222  -179.29557
   17    16 S   O    _OE1    17     1.22713   123.19786    -4.46063
   18    16 S   N    _N2_    18     1.38501   111.85509   175.22611
   19    18 S   H    _HN2    19     1.01550   119.18350     5.84150
   20    18 S   CT1  _CA2    20     1.45821   122.78579  -175.93500
   21    20 S   HC   _HA2    21     1.09580   108.25611    30.26410
   22    20 S   C    _C2_    22     1.52789   108.00726   -86.68377
   23    22 S   O    _O2_    23     1.22934   123.12092   -27.88770
   24    20 S   CT   _CB2    32     1.53317   112.04476   153.13744
   25    24 S   HC   HB21    33     1.09651   109.79836    59.41640
   26    24 S   HC   HB22    34     1.09558   111.42919   177.24679
   27    22 S   N    _N3_    24     1.38531   112.30538   154.90717
   28    27 S   H    _HN3    25     1.01656   120.29593    -2.73645
   29    24 S   S    _SG2    35     1.82542   112.79327   -59.66646
   30    27 S   CT   _CA3    26     1.45314   122.63640   178.69494
   31    30 S   HC   HA31    27     1.09562   107.86641   -54.93257
   32    30 S   HC   HA32    28     1.09558   107.58120    61.43813
   33    29 S   CT   _C21    36     1.82178    99.61718   -79.18195
   34    33 S   HC   _H20    37     1.09468   107.26382   -78.91330
   35    33 S   HC   _H21    38     1.09269   111.25137    36.84758
   36    30 S   CO3  _C3_    29     1.52917   114.22444  -176.86787
   37    36 S   O2Z  _O31    30     1.26345   116.07153     0.14935
   38    36 S   O2Z  _O32    31     1.26432   114.41567  -179.91607
   39    33 S   CM   _C19    39     1.50370   110.19561   159.12271
   40    39 S   CMA  _C20    40     1.35215   126.17278   110.73107
   41    40 S   OM   _O37    41     1.26314   128.10427     0.33630
   42    40 S   OS   _O36    42     1.41925   109.72889  -177.57957
   43    42 S   CT   _C17    43     1.43446   105.66767   -19.24176
   44    43 S   HC   _H5_    44     1.09584   107.47532   -89.54979
   45    43 S   CM   _C16    45     1.50137   108.19584   149.82802
   46    45 S   HC   _H19    46     1.08961   113.73082   -82.05814
   47    39 S   CT   _C18    61     1.51483   122.31959   -67.79986
   48    47 S   HC   _H6_    62     1.09894   106.78180    79.21796
   49    45 S   CM   _C15    47     1.35034   127.21583   110.39947
   50    49 S   CT   _C14    48     1.52681   119.73560   155.19197
   51    50 S   HC   _H4_    49     1.09616   109.79591   154.88502
   52    49 S   CT   _C22    84     1.50294   124.71247   -15.96419
   53    52 S   HC   _H22    85     1.09346   111.01014   114.05037
   54    52 S   HC   _H23    86     1.09290   113.09927    -7.79850
   55    52 S   HC   _H24    87     1.09547   109.58772  -126.72167
   56    50 S   CT   _C13    50     1.55710   110.77630   -84.00510
   57    56 S   HC   _H17    51     1.09366   109.05083   -77.23120
   58    56 S   HC   _H18    52     1.09657   110.12245   166.16480
   59    50 S   OH   _O38    82     1.42828   110.89017    37.97562
   60    59 S   HO   _H25    83     0.97201   107.58559  -179.66957
   61    56 S   CM   _C12    53     1.51596   111.62300    46.17264
   62    61 S   HC   _H16    54     1.09004   113.99299    73.15886
   63    61 S   CM   _C11    55     1.35088   126.72561   -95.78141
   64    63 S   CT   _C10    56     1.51501   120.09675   165.22490
   65    64 S   HC   _H14    57     1.09827   109.76426    13.37005
   66    64 S   HC   _H15    58     1.09809   106.82698   127.09790
   67    63 S   CT   _C23    78     1.50315   124.37052   -13.66839
   68    67 S   HC   _H26    79     1.09230   110.83984   103.88527
   69    67 S   HC   _H27    80     1.09227   113.12978   -17.60043
   70    67 S   HC   _H28    81     1.09532   110.07512  -136.11735
   71    64 S   CT   _C9_    59     1.55549   118.36766  -110.29570
   72    71 S   HC   _H3_    60     1.09598   103.60416  -176.83628
   73    71 S   OS   _O35    63     1.44370   112.05688   -60.87416
   74    73 S   CO4  _C8_    64     1.35822   117.69291   -84.36072
   75    74 S   O    _O34    65     1.22099   127.08639     8.43601
   76    74 S   CM   _C6_    66     1.48299   108.72851  -169.56082
   77    76 S   CM   _C5_    67     1.34569   119.54306   128.06755
   78    77 S   HC   _H10    68     1.08909   117.86439   178.97302
   79    76 S   CT   _C7_    73     1.49939   117.81650   -51.64853
   80    79 S   HC   _H11    74     1.09524   111.69845   178.58833
   81    79 S   HC   _H12    75     1.09485   111.01468    58.27473
   82    77 S   CT   _C4_    69     1.49703   128.22306    -2.46990
   83    82 S   HC   _H7_    70     1.09499   109.35366  -131.59331
   84    82 S   HC   _H8_    71     1.09405   109.91912   109.89763
   85    82 S   HC   _H9_    72     1.09251   113.62949   -12.13824
   86    79 S   OH   _O33    76     1.42128   109.33402   -61.99685
   87    86 S   HO   _H13    77     0.97228   107.02047   178.73190
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  13   7   5   2   1   1   9   5   4   2   1  10   3  10  10
   5   4   4   2   1   1   5   2   5   9   3  11   9   5   5   3
   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    71    72    47    48    73  
   41    42    43    44    45    71    47    48  
   42    43    47  
   43    44    45    46    49    71    47    48  
   44    45    46    49    50    64    71    72    47    48    73    52  
   45    46    49    71    47    48  
   46    49    50    51    56    71    47    48    59    52    53    54    55  
   49    50    47    52  
   48    73    74    49    63    64    65    66    71    72  
   73    64    71    72  
   50    51    56    57    58    61    59    60    52    53    54    55  
   51    56    57    58    61    62    63    59    60    52    53    54    55  
   56    57    58    61    59    60    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    61    62    63    64    67    59    60  
   58    61    62    63    59  
   61    62    63    59  
   60    61  
    0  
   62    63    64    65    66    71    67    68    69    70  
   63    64    67  
   64    65    66    71    72    73    67    68    69    70  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    67  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74  
   74    75    76    77    79  
   75    76    77    78    82    79    80    81    86  
   76    77    79  
   77    78    82    83    84    85    79    80    81    86    87  
   78    82    83    84    85    79    80    81    86  
   82    83    84    85    79  
   80    81    86    87    82  
   81    86    87  
   86    87  
   83    84    85  
   84    85  
   85  
    0  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    47   268.000  1.529
   71    73   320.000  1.410
   47    48   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   320.000  1.410
   86    87   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    71    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    71    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    90.00000  110.39200
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    70.00000  112.02700
   50    59    60    55.00000  108.50000
   56    50    51    37.50000  110.70000
   56    61    62    35.00000  117.00000
   56    61    63    70.00000  124.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    71    70.00000  112.02700
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   64    71    72    37.50000  110.70000
   64    71    47    58.35000  112.70000
   64    71    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    47    48    37.50000  110.70000
   71    73    74    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    71    72    37.50000  110.70000
   73    71    72    35.00000  109.50000
   73    71    47    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    79    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    86    90.00000  110.39200
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   82    77    78    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   79    76    77    70.00000  124.00000
   79    86    87    55.00000  108.50000
   81    79    80    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    81    35.00000  109.50000
   67    63    64    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    71   0.46850  1.0 1.0
   33    39    47    71   0.08550 -1.0 2.0
   33    39    47    71   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    71   0.09850  1.0 1.0
   40    39    47    71   0.15250 -1.0 2.0
   40    39    47    71  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    71   0.62750  1.0 1.0
   42    43    47    71  -0.30950 -1.0 2.0
   42    43    47    71   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    71   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    71   0.34400  1.0 1.0
   45    43    47    71   0.09450 -1.0 2.0
   45    43    47    71   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.67800  1.0 1.0
   45    49    50    59   0.47050 -1.0 2.0
   45    49    50    59  -0.62500  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    61   0.31000  1.0 1.0
   49    50    56    61   0.14700 -1.0 2.0
   49    50    56    61   0.07550  1.0 3.0
   49    50    59    60  -0.07800  1.0 1.0
   49    50    59    60  -0.21500 -1.0 2.0
   49    50    59    60  -0.03150  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    61    62   0.00000  1.0 1.0
   50    56    61    63   0.09850  1.0 1.0
   50    56    61    63   0.15250 -1.0 2.0
   50    56    61    63  -0.50650  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    59    60   0.19450  1.0 3.0
   56    50    59    60  -0.11600  1.0 1.0
   56    50    59    60  -0.09450 -1.0 2.0
   56    50    59    60   0.21250  1.0 3.0
   56    61    63    64   7.00000 -1.0 2.0
   56    61    63    67   7.00000 -1.0 2.0
   57    56    61    62   0.33100  1.0 3.0
   57    56    61    63   0.00000  1.0 1.0
   58    56    61    62   0.33100  1.0 3.0
   58    56    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    71   0.09850  1.0 1.0
   61    63    64    71   0.15250 -1.0 2.0
   61    63    64    71  -0.50650  1.0 3.0
   61    63    67    68   0.00000  1.0 1.0
   61    63    67    69   0.00000  1.0 1.0
   61    63    67    70   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    67   7.00000 -1.0 2.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    47   0.34400  1.0 1.0
   63    64    71    47   0.09450 -1.0 2.0
   63    64    71    47   0.11100  1.0 3.0
   63    64    71    73   0.61850  1.0 1.0
   63    64    71    73  -0.22750 -1.0 2.0
   63    64    71    73   0.15300  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    63    67    69   0.34800  1.0 3.0
   64    63    67    70   0.34800  1.0 3.0
   64    71    47    39   0.34400  1.0 1.0
   64    71    47    39   0.09450 -1.0 2.0
   64    71    47    39   0.11100  1.0 3.0
   64    71    47    43   0.56750  1.0 1.0
   64    71    47    43  -0.07550 -1.0 2.0
   64    71    47    43   0.20000  1.0 3.0
   64    71    47    48   0.15000  1.0 3.0
   64    71    73    74  -0.25900  1.0 1.0
   64    71    73    74  -0.47000 -1.0 2.0
   64    71    73    74   0.11750  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    47   0.15000  1.0 3.0
   65    64    71    73   0.23400  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    47   0.15000  1.0 3.0
   66    64    71    73   0.23400  1.0 3.0
   71    73    74    75   3.00000 -1.0 2.0
   71    73    74    76   2.00000 -1.0 2.0
   72    71    47    39   0.15000  1.0 3.0
   72    71    47    43   0.15000  1.0 3.0
   72    71    47    48   0.15000  1.0 3.0
   72    71    73    74   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    71    73    74  -0.25900  1.0 1.0
   47    71    73    74  -0.47000 -1.0 2.0
   47    71    73    74   0.11750  1.0 3.0
   73    71    47    39   0.61850  1.0 1.0
   73    71    47    39  -0.22750 -1.0 2.0
   73    71    47    39   0.15300  1.0 3.0
   73    71    47    43   0.62750  1.0 1.0
   73    71    47    43  -0.30950 -1.0 2.0
   73    71    47    43   0.27300  1.0 3.0
   73    71    47    48   0.23400  1.0 3.0
   73    74    76    77  -0.56150  1.0 1.0
   73    74    76    77   2.19150 -1.0 2.0
   73    74    76    79  -0.15000  1.0 1.0
   73    74    76    79   0.89550 -1.0 2.0
   73    74    76    79  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    82   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    86   0.09700  1.0 1.0
   74    76    79    86   0.15600 -1.0 2.0
   74    76    79    86  -0.50800  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    79  -0.64400  1.0 1.0
   75    74    76    79   0.26850 -1.0 2.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    84   0.00000  1.0 1.0
   76    77    82    85   0.00000  1.0 1.0
   76    79    86    87  -0.07800  1.0 1.0
   76    79    86    87  -0.21500 -1.0 2.0
   76    79    86    87  -0.03150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    86   0.67800  1.0 1.0
   77    76    79    86   0.47050 -1.0 2.0
   77    76    79    86  -0.62500  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    84   0.33100  1.0 3.0
   78    77    82    85   0.33100  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   80    79    86    87   0.19450  1.0 3.0
   81    79    86    87   0.19450  1.0 3.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    71   0.46850  1.0 1.0
   67    63    64    71   0.08550 -1.0 2.0
   67    63    64    71   0.09800  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    61   1.05650  1.0 1.0
   59    50    56    61   0.15600 -1.0 2.0
   59    50    56    61   0.53150  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.18000  1.0 1.0
   52    49    50    59   0.16450 -1.0 2.0
   52    49    50    59   0.04450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   56    62    61    63   1.10000 -1.0 2.0
   64    67    63    61   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   82    78    77    76  15.00000 -1.0 2.0
END
