* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    148    232     450
    1     0 S   NP   _N1_     1    28.80928    95.68066   -20.64390
    2     1 S   H    _HN1     2     1.02782    85.09846   -89.10231
    3     1 S   H    _H1_     3     1.02950    81.33867    20.33849
    4     1 S   H    _H2_     4     1.02826    42.54807   147.55079
    5     1 S   CT   _CA1     5     1.50168   153.07957   138.85900
    6     5 S   HC   _HA1     6     1.09562   105.18072    65.58816
    7     5 S   CO3  _C1_     7     1.53869   112.41705   -54.60972
    8     7 S   O2Z  _O11     8     1.26434   115.02589   -39.29373
    9     7 S   O2Z  _O12     9     1.26312   115.08027   139.80328
   10     5 S   CT   _CB1    10     1.53102   107.37231  -176.30239
   11    10 S   HC   HB11    11     1.09821   109.59481   -47.06199
   12    10 S   HC   HB12    12     1.09820   110.32689    69.63785
   13    10 S   CT   _CG1    13     1.52941   112.58918  -168.00671
   14    13 S   HC   HG11    14     1.09451   110.43875   -61.51074
   15    13 S   HC   HG12    15     1.09648   110.01162    57.64752
   16    13 S   C    _CD1    16     1.51777   112.40079   178.06791
   17    16 S   O    _OE1    17     1.22731   123.30144    -4.30275
   18    16 S   N    _N2_    18     1.38623   111.55247   176.01248
   19    18 S   H    _HN2    19     1.01593   119.04629     1.81056
   20    18 S   CT1  _CA2    20     1.46254   123.52486  -178.47967
   21    20 S   HC   _HA2    21     1.09737   109.26977    -1.74641
   22    20 S   C    _C2_    22     1.53446   109.25000  -117.42568
   23    22 S   O    _O2_    23     1.23067   122.22246  -152.47059
   24    20 S   CT   _CB2    32     1.53404   111.00298   119.90423
   25    24 S   HC   HB21    33     1.09559   109.63365    56.67162
   26    24 S   HC   HB22    34     1.09472   110.71843   175.61144
   27    22 S   N    _N3_    24     1.38345   113.78680    35.27807
   28    27 S   H    _HN3    25     1.01610   119.47920    -3.83436
   29    24 S   S    _SG2    35     1.82906   110.92572   -64.74892
   30    27 S   CT   _CA3    26     1.45276   123.09516   176.89026
   31    30 S   HC   HA31    27     1.09554   107.55939   -63.13303
   32    30 S   HC   HA32    28     1.09562   107.89605    53.24734
   33    29 S   CT   _C15    36     1.84807    99.89016   152.29082
   34    33 S   HC   _H13    37     1.09753   104.78991   -45.89869
   35    30 S   CO3  _C3_    29     1.52922   114.20354   175.25385
   36    35 S   O2Z  _O31    30     1.26360   116.10276     0.65581
   37    35 S   O2Z  _O32    31     1.26439   114.39679  -179.31643
   38    33 S   CT   _C10    38     1.55555   112.74683  -160.01261
   39    38 S   HC   _H8_    39     1.09846   106.09218   165.19698
   40    38 S   CT   _C11    40     1.54005   113.48968   -77.61182
   41    40 S   HC   _H9_    41     1.09479   110.70915  -173.39307
   42    38 S   OS   _O34    58     1.43362   108.17735    50.49487
   43    40 S   CT   _C12    42     1.53542   110.07755   -53.45091
   44    43 S   HC   _H10    43     1.09723   108.82397   -64.42322
   45    40 S   OH   _O40    56     1.42575   110.63322    69.87157
   46    45 S   HO   _H18    57     0.97314   107.52017  -152.95525
   47    42 S   CO   _C9_    59     1.42786   116.47221   172.94570
   48    47 S   HC   _H7_    60     1.09517   108.59705    62.15936
   49    43 S   CT   _C13    44     1.53432   112.96795    56.35662
   50    49 S   HC   _H11    45     1.09695   108.08238  -176.27748
   51    43 S   OH   _O39    54     1.42796   109.82427   178.97664
   52    51 S   HO   _H17    55     0.97247   107.42849    59.88307
   53    47 S   CT   _C8_    61     1.54451   110.63077   179.58363
   54    53 S   HC   _H6_    62     1.09845   107.22906  -172.12879
   55    33 S   CT   _C14    46     1.54855   111.96746    72.43409
   56    55 S   HC   _H12    47     1.09875   109.37376   -41.52962
   57    49 S   OH   _O38    52     1.42677   110.07955    67.94606
   58    57 S   HO   _H16    53     0.97224   107.57955  -178.40027
   59    53 S   CT   _C7_    63     1.53975   111.77569    71.12491
   60    59 S   HC   _H5_    64     1.09695   108.77874   171.71430
   61    53 S   NTH2 _N4_    79     1.46566   111.93355   -54.34200
   62    61 S   H    _H19    80     1.01810   109.97472   -62.97476
   63    61 S   H    _H20    81     1.02047   109.89621   179.21715
   64    55 S   OS   _O35    48     1.43678   107.18745  -161.81387
   65    59 S   CT   _C6_    65     1.53177   110.31720    50.99070
   66    65 S   HC   _H4_    66     1.09664   110.21299  -170.96017
   67    59 S   OH   _O41    77     1.42548   110.92790   -69.43556
   68    67 S   HO   _H21    78     0.97410   107.15105  -152.03528
   69    64 S   PR   _P1_    49     1.62086   117.82046   119.56810
   70    69 S   OM   _O37    50     1.64034    97.64053  -175.97576
   71    69 S   OM   _O36    51     1.64161    98.00326   -76.73893
   72    65 S   CT   _C5_    67     1.53760   111.03395   -50.29299
   73    72 S   HC   _H3_    68     1.09719   110.13513   -65.06365
   74    65 S   OH   _O42    75     1.42797   109.44805    70.85390
   75    74 S   HO   _H22    76     0.97275   107.52546    60.32606
   76    47 S   OS   _O33    69     1.43282   113.72635   -56.82293
   77    72 S   CT   _C4_    70     1.52947   111.85880   174.07599
   78    77 S   HC   _H14    71     1.09444   110.96764    50.91767
   79    77 S   HC   _H15    72     1.09473   111.50368   -71.60496
   80    77 S   OH   _O43    73     1.42471   109.04088   169.77059
   81    80 S   HO   _H23    74     0.97193   107.24707  -177.77402
  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
  16   8   2   1   1  17   7  13   7  11  12   7   3   1  14   6
   9   6   3   1  13   8   7   3   2   1  14   7   5   1   1   3
  12   7   3   1   2   1   1   9   6   3   1   4   4   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    55    56    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    55    56    64    69    57    45    42    47  
   38    39    40    49    55    56    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    55    56    64    51    45    46    42    47    48    53    76  
   40    41    43    55    45    42    47  
   41    43    44    49    50    55    57    51    52    45    46    42    47  
   43    44    49    51    45    46    42  
   47    48    53    54    59    72    76    61    43    45    55  
   44    49    50    55    56    64    57    58    51    52    45    46  
   49    50    55    57    51    52    45  
   46    49    51  
    0  
   48    53    54    59    60    65    72    73    76    77    67    61    62    63  
   53    54    59    72    76    61  
   50    55    56    64    69    57    58    51    52  
   55    56    64    57    58    51  
   52    55    57  
    0  
   54    59    60    65    66    72    76    74    67    68    61    62    63  
   59    60    65    76    67    61    62    63  
   56    64    69    70    71    57    58  
   64    69    57  
   58    64  
    0  
   60    65    66    72    73    76    77    74    75    67    68    61    62    63  
   65    66    72    74    67    68    61  
   62    63    65    67    76  
   63  
    0  
   69    70    71  
   66    72    73    76    77    78    79    80    74    75    67    68  
   72    73    76    77    74    75    67  
   68    72    74  
    0  
   70    71  
   71  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   70   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   71   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   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    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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    64   320.000  1.410
   64    69   325.000  1.672
   69    70   325.000  1.672
   69    71   325.000  1.672
   57    58   553.000  0.945
   51    52   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    53   250.000  1.527
   47    76   320.000  1.380
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   300.000  1.468
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    72   268.000  1.529
   65    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   74    75   553.000  0.945
   67    68   553.000  0.945
   61    62   495.000  1.019
   61    63   495.000  1.019
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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    49    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    55    58.35000  112.70000
   43    49    57    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    64    50.00000  109.50000
   49    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    64    69   100.00000  120.50000
   64    55    56    35.00000  109.50000
   64    69    70    45.00000  102.60000
   64    69    71    45.00000  102.60000
   71    69    70    35.00000   94.00000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    53    90.00000  108.56700
   42    47    76    92.60000  111.55000
   47    53    54    45.00000  108.72000
   47    53    59    75.00000  109.43000
   47    53    61    80.00000  112.76400
   47    76    72    60.00000  109.50000
   53    47    48    45.00000  112.01100
   53    59    60    37.50000  110.70000
   53    59    65    58.35000  112.70000
   53    59    67    50.00000  109.50000
   53    61    62    50.00000  110.30900
   53    61    63    50.00000  110.30900
   59    53    54    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    72    58.35000  112.70000
   59    65    74    50.00000  109.50000
   59    67    68    55.00000  108.50000
   65    59    60    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    76    50.00000  109.50000
   65    72    77    58.35000  112.70000
   65    74    75    55.00000  108.50000
   72    65    66    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    50.00000  109.50000
   76    47    48    35.00000  109.50000
   76    47    53    90.00000  108.56700
   76    72    73    35.00000  109.50000
   77    72    73    37.50000  110.70000
   77    72    76    50.00000  109.50000
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   74    65    66    35.00000  109.50000
   74    65    72    50.00000  109.50000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   61    53    54    50.00000  110.79000
   61    53    59    80.00000  112.76400
   63    61    62    40.00000  106.77200
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    55    49   0.44750  1.0 1.0
   29    33    55    49  -0.17800 -1.0 2.0
   29    33    55    49   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    64   0.56750  1.0 1.0
   29    33    55    64  -0.07550 -1.0 2.0
   29    33    55    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    55    64    69  -2.65550  1.0 1.0
   33    55    64    69  -0.22350 -1.0 2.0
   33    55    64    69   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    49   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    64   0.23400  1.0 3.0
   38    33    55    49   0.56750  1.0 1.0
   38    33    55    49  -0.07550 -1.0 2.0
   38    33    55    49   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    64   0.62750  1.0 1.0
   38    33    55    64  -0.30950 -1.0 2.0
   38    33    55    64   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    53   0.06250  1.0 1.0
   38    42    47    53  -0.01100 -1.0 2.0
   38    42    47    53   0.28050  1.0 3.0
   38    42    47    76  -0.53350  1.0 1.0
   38    42    47    76  -0.78350 -1.0 2.0
   38    42    47    76   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    55   0.56750  1.0 1.0
   40    43    49    55  -0.07550 -1.0 2.0
   40    43    49    55   0.20000  1.0 3.0
   40    43    49    57   0.86500  1.0 1.0
   40    43    49    57  -0.17500 -1.0 2.0
   40    43    49    57   0.20800  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -55    33   0.56750  1.0 1.0
   43    49   -55    33  -0.07550 -1.0 2.0
   43    49   -55    33   0.20000  1.0 3.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    64   0.62750  1.0 1.0
   43    49    55    64  -0.30950 -1.0 2.0
   43    49    55    64   0.27300  1.0 3.0
   43    49    57    58  -0.11600  1.0 1.0
   43    49    57    58  -0.09450 -1.0 2.0
   43    49    57    58   0.21250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    55    64    69  -2.65550  1.0 1.0
   49    55    64    69  -0.22350 -1.0 2.0
   49    55    64    69   0.24150  1.0 3.0
   50    49    55    33   0.15000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    64   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    49    57    58  -0.11600  1.0 1.0
   55    49    57    58  -0.09450 -1.0 2.0
   55    49    57    58   0.21250  1.0 3.0
   55    64    69    70   0.05050  1.0 1.0
   55    64    69    70  -1.30700 -1.0 2.0
   55    64    69    70   0.91550  1.0 3.0
   55    64    69    71   0.05050  1.0 1.0
   55    64    69    71  -1.30700 -1.0 2.0
   55    64    69    71   0.91550  1.0 3.0
   56    55    64    69   0.03000  1.0 3.0
   57    49    55    33   0.86500  1.0 1.0
   57    49    55    33  -0.17500 -1.0 2.0
   57    49    55    33   0.20800  1.0 3.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    64   3.69350  1.0 1.0
   57    49    55    64  -1.82950 -1.0 2.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    55   0.86500  1.0 1.0
   51    43    49    55  -0.17500 -1.0 2.0
   51    43    49    55   0.20800  1.0 3.0
   51    43    49    57   3.75450  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    59   0.62750  1.0 1.0
   42    47    53    59  -0.30950 -1.0 2.0
   42    47    53    59   0.27300  1.0 3.0
   42    47    53    61   3.18800  1.0 1.0
   42    47    53    61  -1.12350 -1.0 2.0
   42    47    76    72  -0.81800  1.0 1.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    65   3.97050  1.0 1.0
   47    53    59    67   0.86500  1.0 1.0
   47    53    59    67  -0.17500 -1.0 2.0
   47    53    59    67   0.20800  1.0 3.0
   47    53    61    62   0.21650  1.0 1.0
   47    53    61    62   0.26250 -1.0 2.0
   47    53    61    62   0.12450  1.0 3.0
   47    53    61    63   0.21650  1.0 1.0
   47    53    61    63   0.26250 -1.0 2.0
   47    53    61    63   0.12450  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   48    47    53    61   0.15000  1.0 3.0
   48    47    76    72   0.37050  1.0 3.0
   53    47    76    72   0.06250  1.0 1.0
   53    47    76    72  -0.01100 -1.0 2.0
   53    47    76    72   0.28050  1.0 3.0
   53    59    65    66   0.15000  1.0 3.0
   53    59   -65    72   0.56750  1.0 1.0
   53    59   -65    72  -0.07550 -1.0 2.0
   53    59   -65    72   0.20000  1.0 3.0
   53    59    65    74   0.86500  1.0 1.0
   53    59    65    74  -0.17500 -1.0 2.0
   53    59    65    74   0.20800  1.0 3.0
   53    59    67    68  -0.11600  1.0 1.0
   53    59    67    68  -0.09450 -1.0 2.0
   53    59    67    68   0.21250  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    65   0.15000  1.0 3.0
   54    53    59    67   0.23400  1.0 3.0
   54    53    61    62   0.20000  1.0 3.0
   54    53    61    63   0.20000  1.0 3.0
   59    53    61    62   0.21650  1.0 1.0
   59    53    61    62   0.26250 -1.0 2.0
   59    53    61    62   0.12450  1.0 3.0
   59    53    61    63   0.21650  1.0 1.0
   59    53    61    63   0.26250 -1.0 2.0
   59    53    61    63   0.12450  1.0 3.0
   59    65    72    73   0.15000  1.0 3.0
   59    65    72    76   0.62750  1.0 1.0
   59    65    72    76  -0.30950 -1.0 2.0
   59    65    72    76   0.27300  1.0 3.0
   59    65    72    77   0.56750  1.0 1.0
   59    65    72    77  -0.07550 -1.0 2.0
   59    65    72    77   0.20000  1.0 3.0
   59    65    74    75  -0.11600  1.0 1.0
   59    65    74    75  -0.09450 -1.0 2.0
   59    65    74    75   0.21250  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    72   0.15000  1.0 3.0
   60    59    65    74   0.23400  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    59    67    68  -0.11600  1.0 1.0
   65    59    67    68  -0.09450 -1.0 2.0
   65    59    67    68   0.21250  1.0 3.0
   65    72   -76    47   0.06250  1.0 1.0
   65    72   -76    47  -0.01100 -1.0 2.0
   65    72   -76    47   0.28050  1.0 3.0
   65    72    77    78   0.15000  1.0 3.0
   65    72    77    79   0.15000  1.0 3.0
   65    72    77    80   0.86500  1.0 1.0
   65    72    77    80  -0.17500 -1.0 2.0
   65    72    77    80   0.20800  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    76   0.23400  1.0 3.0
   66    65    72    77   0.15000  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   72    65    74    75  -0.11600  1.0 1.0
   72    65    74    75  -0.09450 -1.0 2.0
   72    65    74    75   0.21250  1.0 3.0
   72    77    80    81  -0.11600  1.0 1.0
   72    77    80    81  -0.09450 -1.0 2.0
   72    77    80    81   0.21250  1.0 3.0
   73    72    76    47   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    47    53    54   0.23400  1.0 3.0
   76    47   -53    59   0.62750  1.0 1.0
   76    47   -53    59  -0.30950 -1.0 2.0
   76    47   -53    59   0.27300  1.0 3.0
   76    47    53    61   3.18800  1.0 1.0
   76    47    53    61  -1.12350 -1.0 2.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   3.69350  1.0 1.0
   76    72    77    80  -1.82950 -1.0 2.0
   77    72    76    47   0.06250  1.0 1.0
   77    72    76    47  -0.01100 -1.0 2.0
   77    72    76    47   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    65    72    73   0.23400  1.0 3.0
   74    65    72    76   3.69350  1.0 1.0
   74    65    72    76  -1.82950 -1.0 2.0
   74    65    72    77   0.86500  1.0 1.0
   74    65    72    77  -0.17500 -1.0 2.0
   74    65    72    77   0.20800  1.0 3.0
   67    59    65    66   0.23400  1.0 3.0
   67    59    65    72   0.86500  1.0 1.0
   67    59    65    72  -0.17500 -1.0 2.0
   67    59    65    72   0.20800  1.0 3.0
   67    59    65    74   3.75450  1.0 1.0
   61    53    59    60   0.15000  1.0 3.0
   61    53    59    65   1.85550  1.0 1.0
   61    53    59    65  -0.84100 -1.0 2.0
   61    53    59    67   5.28650  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
END
