* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    158    241     462
    1     0 S   NP   _N1_     1    29.63886    90.89732   -20.74525
    2     1 S   H    _HN1     2     1.02750    92.09502   -64.05621
    3     1 S   H    _H1_     3     1.03092   115.44724    46.64618
    4     1 S   H    _H2_     4     1.02794    16.08226   108.10153
    5     1 S   CT   _CA1     5     1.50159   117.03024   179.67494
    6     5 S   HC   _HA1     6     1.09565   105.24956    45.10815
    7     5 S   CO3  _C1_     7     1.53767   112.43763   -75.11803
    8     7 S   O2Z  _O11     8     1.26332   115.14063   -43.81017
    9     7 S   O2Z  _O12     9     1.26259   114.88647   135.29229
   10     5 S   CT   _CB1    10     1.52941   107.25148   162.97471
   11    10 S   HC   HB11    11     1.09768   109.18306   -50.04546
   12    10 S   HC   HB12    12     1.09807   110.19892    66.31564
   13    10 S   CT   _CG1    13     1.53109   113.35281  -171.45417
   14    13 S   HC   HG11    14     1.09498   110.25600   -58.99550
   15    13 S   HC   HG12    15     1.09559   110.64581    60.34067
   16    13 S   C    _CD1    16     1.51752   110.42248   179.62938
   17    16 S   O    _OE1    17     1.22848   122.40471   -37.71390
   18    16 S   N    _N2_    18     1.38394   112.95163   142.55830
   19    18 S   H    _HN2    19     1.01557   119.57883     4.25634
   20    18 S   CT1  _CA2    20     1.46122   122.65697  -173.36481
   21    20 S   HC   _HA2    21     1.09608   109.22467   -10.17537
   22    20 S   C    _C2_    22     1.53270   109.17413  -125.82531
   23    22 S   O    _O2_    23     1.23049   122.24846  -149.46425
   24    20 S   CT   _CB2    32     1.53488   111.45323   111.43650
   25    24 S   HC   HB21    33     1.09661   109.46263    66.04785
   26    24 S   HC   HB22    34     1.09566   111.01966  -176.61760
   27    22 S   N    _N3_    24     1.38338   113.57728    38.15644
   28    27 S   H    _HN3    25     1.01658   119.49966    -3.87596
   29    24 S   S    _SG2    35     1.82800   114.27041   -53.09809
   30    27 S   CT   _CA3    26     1.45298   123.00277   176.74310
   31    30 S   HC   HA31    27     1.09557   107.57727   -62.18036
   32    30 S   HC   HA32    28     1.09562   107.85909    54.17729
   33    29 S   CT   _C21    36     1.82437   100.10781   -73.31720
   34    33 S   HC   _H3_    37     1.09473   108.65206   -64.80896
   35    33 S   HC   _H4_    38     1.09213   110.00761    52.40360
   36    30 S   CO3  _C3_    29     1.52905   114.24108   176.14806
   37    36 S   O2Z  _O31    30     1.26345   116.06609    -0.09891
   38    36 S   O2Z  _O32    31     1.26435   114.40166   179.93744
   39    33 S   CM   _C8_    39     1.50343   109.07860   173.63111
   40    39 S   CMA  _C9_    40     1.34889   126.93987    91.10914
   41    40 S   OM   _O20    41     1.26306   127.94321     2.93745
   42    40 S   OS   _O22    42     1.41460   109.88820  -176.06762
   43    42 S   CT   _C12    43     1.44314   107.71868     7.42634
   44    43 S   HC   _H32    44     1.08907   103.74647  -134.77369
   45    43 S   CM   _C6_    45     1.50750   109.20756   109.92483
   46    45 S   HC   _H29    46     1.08915   115.02684   -21.23060
   47    39 S   CT   _C13    59     1.50511   120.65314   -87.84199
   48    47 S   HC   _H33    60     1.09596   108.51136    50.06369
   49    45 S   CM   _C7_    47     1.35238   126.39177   158.13055
   50    49 S   CO   _C15    48     1.52561   124.87559     3.33578
   51    49 S   CT   _C17    81     1.50988   118.43991  -179.02502
   52    51 S   HC   _H35    82     1.09502   110.31257   120.87448
   53    51 S   HC   _H36    83     1.09539   112.50748     1.18366
   54    51 S   HC   _H37    84     1.09464   110.48291  -118.64506
   55    50 S   CM   _C4_    49     1.49493   114.60145   -58.11924
   56    55 S   HC   _H27    50     1.08003   124.98960   -56.19876
   57    50 S   OH   _O24    79     1.42853   110.47084   177.76848
   58    57 S   HO   _H50    80     0.97155   108.68828   145.78936
   59    55 S   CM   _C5_    51     1.33427   109.97213   124.19463
   60    59 S   HC   _H28    52     1.08004   125.03354   179.26939
   61    59 S   CT   _C16    53     1.49195   109.84799     1.44699
   62    61 S   CT   _C11    54     1.54328   116.52789  -129.03250
   63    62 S   HC   _H30    55     1.09840   107.81119   -70.42721
   64    62 S   HC   _H31    56     1.09712   107.08572   175.28345
   65    50 S   OS   _O23    74     1.44566   108.27941    58.64969
   66    61 S   CT   _C18    75     1.53719   109.53894   106.77724
   67    66 S   HC   _H38    76     1.09615   110.72410  -173.86550
   68    66 S   HC   _H39    77     1.09550   111.66841    65.25499
   69    66 S   HC   _H40    78     1.09655   111.60031   -56.00004
   70    62 S   CT   _C14    57     1.54823   120.88925    53.75308
   71    70 S   HC   _H34    58     1.09724   105.62347   170.09248
   72    70 S   OS   _O25    61     1.44643   109.45903   -73.88468
   73    72 S   CO4  _C10    62     1.36392   118.46020   -86.43957
   74    73 S   O    _O21    63     1.22337   125.88132     2.21541
   75    73 S   CT   _C22    64     1.51881   109.16766  -177.97571
   76    75 S   HC   _H49    65     1.09717   107.68345   -47.39972
   77    75 S   CT   _C19    66     1.52482   109.88795    72.16280
   78    77 S   HC   _H41    67     1.09571   111.22078    59.17671
   79    77 S   HC   _H42    68     1.09529   111.09191   -60.37356
   80    77 S   HC   _H43    69     1.09488   110.93714   179.73312
   81    75 S   CT   _C20    70     1.52645   110.85834  -164.97200
   82    81 S   HC   _H44    71     1.09572   111.45185   -62.81848
   83    81 S   HC   _H45    72     1.09499   110.81774   176.79411
   84    81 S   HC   _H46    73     1.09551   110.81273    56.95065
  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  14   6   2   1   1   9   5   4   1  11   4  11  11   6   5
   5   4   2   1   1   5   2   6  11   4   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    70    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    62    70    71    47    48    72  
   41    42    43    44    45    70    47    48  
   42    43    47  
   43    44    45    46    49    70    47    48  
   44    45    46    49    50    62    70    71    47    48    72    51  
   45    46    49    70    47    48  
   46    49    50    55    70    47    48    65    57    51    52    53    54  
   49    50    47    51  
   48    72    73    49    61    62    63    64    70    71  
   72    62    70    71  
   50    55    56    59    61    65    57    58    51    52    53    54  
   55    56    59    60    61    62    65    66    57    58    51    52    53    54  
   52    53    54    55    57    65  
   53    54  
   54  
    0  
   56    59    60    61    62    65    66    57    58  
   59    60    61    65    57  
   58    59    61    65  
   65  
   60    61    62    63    64    70    65    66    67    68    69  
   61    62    65    66  
   62    63    64    70    71    72    65    66    67    68    69  
   63    64    70    71    72    73    65    66    67    68    69  
   64    70    71    72    65    66  
   70    71    72    65    66  
   66    67    68    69    70  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73  
   73    74    75    76    77    81  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   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    51   317.000  1.510
   50    55   317.000  1.510
   50    65   320.000  1.380
   50    57   380.000  1.407
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    61   317.000  1.510
   61    62   268.000  1.529
   61    65   320.000  1.410
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    47   268.000  1.529
   70    72   320.000  1.410
   47    48   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   57    58   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    70    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    70    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    51    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    55    70.00000  110.12100
   49    50    65    85.00000  110.90400
   49    50    57    90.00000  110.39200
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    35.00000  109.50000
   50    55    56    35.00000  117.00000
   50    55    59    70.00000  124.00000
   50    65    61    60.00000  109.50000
   50    57    58    70.00000  107.92000
   55    59    60    35.00000  120.00000
   55    59    61    70.00000  124.00000
   59    55    56    35.00000  120.00000
   59    61    62    70.00000  112.02700
   59    61    65    85.00000  110.90400
   59    61    66    70.00000  112.02700
   61    59    60    35.00000  117.00000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    70    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    47    58.35000  112.70000
   62    70    72    50.00000  109.50000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    47    48    37.50000  110.70000
   70    72    73    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    70    71    37.50000  110.70000
   72    70    71    35.00000  109.50000
   72    70    47    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    63.00000  111.10000
   73    75    81    63.00000  111.10000
   75    73    74    80.00000  120.40000
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    80    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    37.50000  110.70000
   77    75    76    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   65    50    55    85.00000  110.90400
   65    61    62    50.00000  109.50000
   66    61    62    58.35000  112.70000
   66    61    65    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   57    50    55    90.00000  110.39200
   57    50    65   110.00000  112.08000
   51    49    50    65.00000  117.92700
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    70   0.46850  1.0 1.0
   33    39    47    70   0.08550 -1.0 2.0
   33    39    47    70   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    70   0.09850  1.0 1.0
   40    39    47    70   0.15250 -1.0 2.0
   40    39    47    70  -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    70   0.62750  1.0 1.0
   42    43    47    70  -0.30950 -1.0 2.0
   42    43    47    70   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    51   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    70   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    70   0.34400  1.0 1.0
   45    43    47    70   0.09450 -1.0 2.0
   45    43    47    70   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    55  -0.28300  1.0 1.0
   45    49    50    55   0.26700 -1.0 2.0
   45    49    50    55  -0.63300  1.0 3.0
   45    49    50    65   0.39000  1.0 1.0
   45    49    50    65  -0.05800 -1.0 2.0
   45    49    50    65  -0.55150  1.0 3.0
   45    49    50    57   0.67800  1.0 1.0
   45    49    50    57   0.47050 -1.0 2.0
   45    49    50    57  -0.62500  1.0 3.0
   45    49    51    52   0.00000  1.0 1.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    54   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    50    55    56   0.00000  1.0 1.0
   49    50    55    59  -0.28300  1.0 1.0
   49    50    55    59   0.26700 -1.0 2.0
   49    50    55    59  -0.63300  1.0 3.0
   49    50    65    61  -0.77900  1.0 1.0
   49    50    65    61  -0.36900 -1.0 2.0
   49    50    65    61   0.40400  1.0 3.0
   49    50    57    58  -0.07800  1.0 1.0
   49    50    57    58  -0.21500 -1.0 2.0
   49    50    57    58  -0.03150  1.0 3.0
   50    49    51    52   0.34800  1.0 3.0
   50    49    51    53   0.34800  1.0 3.0
   50    49    51    54   0.34800  1.0 3.0
   50    55    59    60   7.00000 -1.0 2.0
   50    55   -59    61   7.00000 -1.0 2.0
   55    50   -65    61  -0.77900  1.0 1.0
   55    50   -65    61  -0.36900 -1.0 2.0
   55    50   -65    61   0.40400  1.0 3.0
   55    50    57    58  -0.07800  1.0 1.0
   55    50    57    58  -0.21500 -1.0 2.0
   55    50    57    58  -0.03150  1.0 3.0
   55    59    61    62   0.09850  1.0 1.0
   55    59    61    62   0.15250 -1.0 2.0
   55    59    61    62  -0.50650  1.0 3.0
   55    59   -61    65   0.39000  1.0 1.0
   55    59   -61    65  -0.05800 -1.0 2.0
   55    59   -61    65  -0.55150  1.0 3.0
   55    59    61    66   0.09850  1.0 1.0
   55    59    61    66   0.15250 -1.0 2.0
   55    59    61    66  -0.50650  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    61   7.00000 -1.0 2.0
   59    61    62    63   0.15000  1.0 3.0
   59    61    62    64   0.15000  1.0 3.0
   59    61    62    70   0.34400  1.0 1.0
   59    61    62    70   0.09450 -1.0 2.0
   59    61    62    70   0.11100  1.0 3.0
   59    61   -65    50  -0.77900  1.0 1.0
   59    61   -65    50  -0.36900 -1.0 2.0
   59    61   -65    50   0.40400  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    68   0.15000  1.0 3.0
   59    61    66    69   0.15000  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    65   0.00000  1.0 1.0
   60    59    61    66   0.00000  1.0 1.0
   61    62    70    71   0.15000  1.0 3.0
   61    62    70    47   0.56750  1.0 1.0
   61    62    70    47  -0.07550 -1.0 2.0
   61    62    70    47   0.20000  1.0 3.0
   61    62    70    72   0.62750  1.0 1.0
   61    62    70    72  -0.30950 -1.0 2.0
   61    62    70    72   0.27300  1.0 3.0
   62    61    65    50   0.06250  1.0 1.0
   62    61    65    50  -0.01100 -1.0 2.0
   62    61    65    50   0.28050  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   62    70    47    39   0.34400  1.0 1.0
   62    70    47    39   0.09450 -1.0 2.0
   62    70    47    39   0.11100  1.0 3.0
   62    70    47    43   0.56750  1.0 1.0
   62    70    47    43  -0.07550 -1.0 2.0
   62    70    47    43   0.20000  1.0 3.0
   62    70    47    48   0.15000  1.0 3.0
   62    70    72    73  -0.25900  1.0 1.0
   62    70    72    73  -0.47000 -1.0 2.0
   62    70    72    73   0.11750  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    47   0.15000  1.0 3.0
   63    62    70    72   0.23400  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    47   0.15000  1.0 3.0
   64    62    70    72   0.23400  1.0 3.0
   70    72    73    74   3.00000 -1.0 2.0
   70    72    73    75   1.63150  1.0 1.0
   70    72    73    75   2.92000 -1.0 2.0
   71    70    47    39   0.15000  1.0 3.0
   71    70    47    43   0.15000  1.0 3.0
   71    70    47    48   0.15000  1.0 3.0
   71    70    72    73   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    70    72    73  -0.25900  1.0 1.0
   47    70    72    73  -0.47000 -1.0 2.0
   47    70    72    73   0.11750  1.0 3.0
   72    70    47    39   0.61850  1.0 1.0
   72    70    47    39  -0.22750 -1.0 2.0
   72    70    47    39   0.15300  1.0 3.0
   72    70    47    43   0.62750  1.0 1.0
   72    70    47    43  -0.30950 -1.0 2.0
   72    70    47    43   0.27300  1.0 3.0
   72    70    47    48   0.23400  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.36750  1.0 3.0
   72    73    75    81   0.36750  1.0 3.0
   73    75    77    78  -0.11250  1.0 3.0
   73    75    77    79  -0.11250  1.0 3.0
   73    75    77    80  -0.11250  1.0 3.0
   73    75    81    82  -0.11250  1.0 3.0
   73    75    81    83  -0.11250  1.0 3.0
   73    75    81    84  -0.11250  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.30150 -1.0 2.0
   74    73    75    81   0.30150 -1.0 2.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    80   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    84   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    84   0.15000  1.0 3.0
   81    75    77    78   0.15000  1.0 3.0
   81    75    77    79   0.15000  1.0 3.0
   81    75    77    80   0.15000  1.0 3.0
   65    50    55    56   0.00000  1.0 1.0
   65    50   -55    59   0.39000  1.0 1.0
   65    50   -55    59  -0.05800 -1.0 2.0
   65    50   -55    59  -0.55150  1.0 3.0
   65    50    57    58  -0.50000  1.0 1.0
   65    50    57    58  -0.73950 -1.0 2.0
   65    50    57    58   0.17150  1.0 3.0
   65    61    62    63   0.23400  1.0 3.0
   65    61    62    64   0.23400  1.0 3.0
   65    61    62    70   0.62750  1.0 1.0
   65    61    62    70  -0.30950 -1.0 2.0
   65    61    62    70   0.27300  1.0 3.0
   65    61    66    67   0.23400  1.0 3.0
   65    61    66    68   0.23400  1.0 3.0
   65    61    66    69   0.23400  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    70   0.56750  1.0 1.0
   66    61    62    70  -0.07550 -1.0 2.0
   66    61    62    70   0.20000  1.0 3.0
   66    61    65    50   0.06250  1.0 1.0
   66    61    65    50  -0.01100 -1.0 2.0
   66    61    65    50   0.28050  1.0 3.0
   57    50    55    56   0.00000  1.0 1.0
   57    50    55    59   0.67800  1.0 1.0
   57    50    55    59   0.47050 -1.0 2.0
   57    50    55    59  -0.62500  1.0 3.0
   57    50    65    61  -0.70900  1.0 1.0
   57    50    65    61  -1.18000 -1.0 2.0
   57    50    65    61   0.91650  1.0 3.0
   51    49    50    55   0.09700  1.0 1.0
   51    49    50    55   0.15600 -1.0 2.0
   51    49    50    55  -0.50800  1.0 3.0
   51    49    50    65   0.09700  1.0 1.0
   51    49    50    65   0.15600 -1.0 2.0
   51    49    50    65  -0.50800  1.0 3.0
   51    49    50    57   0.18000  1.0 1.0
   51    49    50    57   0.16450 -1.0 2.0
   51    49    50    57   0.04450  1.0 3.0
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
   38    30    36    37  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    51    49    45   1.10000 -1.0 2.0
   50    56    55    59   1.10000 -1.0 2.0
   61    60    59    55   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
