* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    31.49711   101.12168   -23.36806
    2     1 S   H    _HN1     2     1.02746    87.65109   -97.61415
    3     1 S   H    _H1_     3     1.02862    62.28908   151.10851
    4     1 S   H    _H2_     4     1.03418   164.14384    97.34927
    5     1 S   CT   _CA1     5     1.50718    64.09081    17.79293
    6     5 S   HC   _HA1     6     1.09468   104.12732   104.20281
    7     5 S   CO3  _C1_     7     1.54322   111.95230   -11.39764
    8     7 S   O2Z  _O11     8     1.26083   116.62809  -137.69686
    9     7 S   O2Z  _O12     9     1.26628   114.10752    41.95558
   10     5 S   CT   _CB1    10     1.53061   106.71788  -139.34367
   11    10 S   HC   HB11    11     1.09513   109.37428   -35.09453
   12    10 S   HC   HB12    12     1.09798   110.33384    80.25835
   13    10 S   CT   _CG1    13     1.53323   113.31016  -157.36404
   14    13 S   HC   HG11    14     1.09496   111.18179   -88.73523
   15    13 S   HC   HG12    15     1.09539   111.52079    30.86126
   16    13 S   C    _CD1    16     1.51558   109.47433   151.07995
   17    16 S   O    _OE1    17     1.22801   122.08044    95.61256
   18    16 S   N    _N2_    18     1.38530   112.43809   -81.21245
   19    18 S   H    _HN2    19     1.01840   118.80414    -3.86052
   20    18 S   CT1  _CA2    20     1.45889   123.01089   170.17233
   21    20 S   HC   _HA2    21     1.09699   108.74604    30.70286
   22    20 S   C    _C2_    22     1.53352   108.99206   -85.74082
   23    22 S   O    _O2_    23     1.23115   121.13931   152.97844
   24    20 S   CT   _CB2    32     1.53183   112.06679   154.38698
   25    24 S   HC   HB21    33     1.09470   110.51647    54.15299
   26    24 S   HC   HB22    34     1.09555   109.57008   172.84097
   27    22 S   N    _N3_    24     1.38239   114.39817   -34.61631
   28    27 S   H    _HN3    25     1.01571   119.10300     3.33660
   29    24 S   S    _SG2    35     1.82351   111.33501   -67.18417
   30    27 S   CT   _CA3    26     1.45260   123.52831  -177.23034
   31    30 S   HC   HA31    27     1.09561   108.08338   -46.41660
   32    30 S   HC   HA32    28     1.09534   107.37366    69.98500
   33    29 S   CT   _C7_    36     1.84266    99.47291  -171.15373
   34    33 S   HC   _H6_    37     1.09749   105.93317    44.42740
   35    30 S   CO3  _C3_    29     1.53056   114.24109  -168.81593
   36    35 S   O2Z  _O31    30     1.26445   116.28555    -7.75140
   37    35 S   O2Z  _O32    31     1.26412   114.45336   172.10755
   38    33 S   CT   _C6_    38     1.54505   109.63682   159.49833
   39    38 S   HC   _H5_    39     1.09697   109.77787   -56.76634
   40    38 S   CT   _C5_    40     1.53774   108.29656  -175.32153
   41    40 S   HC   _H4_    41     1.09784   107.39560    61.04762
   42    38 S   OS   _O44    77     1.42599   109.84181    62.44306
   43    40 S   CT   _C4_    42     1.53672   112.90982   -58.13601
   44    43 S   HC   _H3_    43     1.09473   107.51912   174.17449
   45    40 S   OS   _O48    71     1.42319   109.38059   177.68675
   46    42 S   P1   _P4_    78     1.61233   121.11394  -153.38982
   47    46 S   O2Z  _O45    79     1.50010   116.02828    30.25405
   48    43 S   CT   _C9_    44     1.54016   111.24281    54.64966
   49    48 S   HC   _H8_    45     1.09606   108.49229  -171.40703
   50    43 S   OS   _O52    65     1.42578   110.69509   -67.10482
   51    45 S   P2   _P5_    72     1.62904   119.42461  -144.12334
   52    51 S   O2Z  _O51    73     1.51193   109.21136   -72.90777
   53    51 S   O2Z  _O49    74     1.51114   109.59321    62.25867
   54    46 S   OS   _O46    80     1.61160   104.43296   -97.27067
   55    54 S   HO   _H12    81     0.97815   118.53848   163.46068
   56    46 S   OS   _O47    82     1.61458   103.54801   155.70660
   57    56 S   HO   _H13    83     0.97848   117.82149  -172.00932
   58    33 S   CT   _C8_    46     1.54910   112.95864   -74.07162
   59    58 S   HC   _H7_    47     1.09667   108.60486    62.00968
   60    48 S   OS   _O33    58     1.43007   108.30590    69.53081
   61    50 S   P2   _P6_    66     1.63271   119.63460  -127.30579
   62    61 S   O2Z  _O55    67     1.51233   108.63649  -175.60979
   63    61 S   O2Z  _O53    68     1.51246   109.98061   -41.59693
   64    51 S   OS   _O50    75     1.63019    98.44868   174.88875
   65    64 S   HO   _H14    76     0.97845   116.23994   174.61879
   66    58 S   OS   _O37    48     1.42442   110.50246   -57.83829
   67    60 S   P1   _P1_    59     1.61423   119.15951   105.77538
   68    67 S   O2Z  _O34    60     1.49878   115.28026    59.36552
   69    61 S   OS   _O54    69     1.63013    99.34548    71.88385
   70    69 S   HO   _H15    70     0.98347   117.25117   -71.86740
   71    66 S   P2   _P2_    49     1.63389   120.53907   141.58570
   72    71 S   O2Z  _O39    50     1.51242   107.84218  -180.00000
   73    71 S   O2Z  _O38    51     1.51253   109.28972    46.89216
   74    67 S   OS   _O35    61     1.61150   104.26990   -67.60255
   75    74 S   HO   _H9_    62     0.97888   118.36326   161.62837
   76    67 S   OS   _O36    63     1.61382   103.66882  -175.21373
   77    76 S   HO   _H10    64     0.97903   117.72791  -170.78763
   78    71 S   OS   _O40    52     1.62981    99.47109   -66.63874
   79    78 S   P2   _P3_    53     1.62560   129.47391  -161.39814
   80    79 S   O2Z  _O43    54     1.51089   109.75097   -52.64453
   81    79 S   O2Z  _O41    55     1.51048   109.87152    83.02425
   82    79 S   OS   _O42    56     1.63137    98.66982  -164.28462
   83    82 S   HO   _H11    57     0.98107   115.64640    90.98715
  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  16   7   9  15   7   7   5   4  12
   6   7   4   3   2   3   1   1   1   8   3   7   4   3   2   1
   1   5   5   4   1   1   7   3   2   3   1   1   1   5   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    58    59    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    58    59    66    71    60    45    42    46  
   38    39    40    48    58    59    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    48    58    59    66    50    45    51    42    46    47    54    56  
   40    41    43    58    45    42    46  
   41    43    44    48    49    58    60    50    61    45    51    52    53    64    42    46  
   43    44    48    50    45    51    42  
   46    47    54    55    56    57    43    45    58  
   44    48    49    58    59    66    60    67    50    61    62    63    69    45    51  
   48    49    58    60    50    61    45  
   51    52    53    64    65    48    50  
   47    54    55    56    57  
   54    55    56    57  
   49    58    59    66    71    60    67    68    74    76    50    61  
   58    59    66    60    67    50  
   61    62    63    69    70    58    60  
   52    53    64    65  
   53    64    65  
   64    65  
   55    56    57  
   56  
   57  
    0  
   59    66    71    72    73    78    60    67  
   66    71    60  
   67    68    74    75    76    77    66  
   62    63    69    70  
   63    69    70  
   69    70  
   65  
    0  
   71    72    73    78    79  
   68    74    75    76    77  
   74    75    76    77  
   70  
    0  
   72    73    78    79    80    81    82  
   73    78    79  
   78    79  
   75    76    77  
   76  
   77  
    0  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   80   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   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    58   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    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    58   268.000  1.529
   48    60   320.000  1.410
   58    59   340.000  1.090
   58    66   320.000  1.410
   66    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    78   230.000  1.697
   78    79   230.000  1.697
   79    80   525.000  1.480
   79    81   525.000  1.480
   79    82   230.000  1.697
   82    83   553.000  0.945
   60    67   405.000  1.623
   67    68   675.000  1.490
   67    74   405.000  1.623
   67    76   405.000  1.623
   74    75   553.000  0.945
   76    77   553.000  0.945
   50    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    69   230.000  1.697
   69    70   553.000  0.945
   45    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    64   230.000  1.697
   64    65   553.000  0.945
   42    46   405.000  1.623
   46    47   675.000  1.490
   46    54   405.000  1.623
   46    56   405.000  1.623
   54    55   553.000  0.945
   56    57   553.000  0.945
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    58    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    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    66    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    46    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    58.35000  112.70000
   40    43    50    50.00000  109.50000
   40    45    51   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    58    58.35000  112.70000
   43    48    60    50.00000  109.50000
   43    50    61   100.00000  120.50000
   48    43    44    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    66    50.00000  109.50000
   48    60    67    75.00000  119.24600
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    66    71   100.00000  120.50000
   66    58    59    35.00000  109.50000
   66    71    72   100.00000  108.23000
   66    71    73   100.00000  108.23000
   66    71    78    45.00000  102.60000
   71    78    79    50.00000  132.62000
   73    71    72   140.00000  119.90000
   78    71    72   100.00000  108.23000
   78    71    73   100.00000  108.23000
   78    79    80   100.00000  108.23000
   78    79    81   100.00000  108.23000
   78    79    82    45.00000  102.60000
   79    82    83    45.00000  108.50000
   81    79    80   140.00000  119.90000
   82    79    80   100.00000  108.23000
   82    79    81   100.00000  108.23000
   60    48    49    35.00000  109.50000
   60    48    58    50.00000  109.50000
   60    67    68   100.00000  115.86100
   60    67    74   120.00000  102.38000
   60    67    76   120.00000  102.38000
   67    74    75    50.00000  113.86100
   67    76    77    50.00000  113.86100
   74    67    68   100.00000  115.86100
   76    67    68   100.00000  115.86100
   76    67    74   120.00000  102.38000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   50    61    62   100.00000  108.23000
   50    61    63   100.00000  108.23000
   50    61    69    45.00000  102.60000
   61    69    70    45.00000  108.50000
   63    61    62   140.00000  119.90000
   69    61    62   100.00000  108.23000
   69    61    63   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    51    52   100.00000  108.23000
   45    51    53   100.00000  108.23000
   45    51    64    45.00000  102.60000
   51    64    65    45.00000  108.50000
   53    51    52   140.00000  119.90000
   64    51    52   100.00000  108.23000
   64    51    53   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  115.86100
   42    46    54   120.00000  102.38000
   42    46    56   120.00000  102.38000
   46    54    55    50.00000  113.86100
   46    56    57    50.00000  113.86100
   54    46    47   100.00000  115.86100
   56    46    47   100.00000  115.86100
   56    46    54   120.00000  102.38000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    66   0.56750  1.0 1.0
   29    33    58    66  -0.07550 -1.0 2.0
   29    33    58    66   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   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    66    71  -2.65550  1.0 1.0
   33    58    66    71  -0.22350 -1.0 2.0
   33    58    66    71   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    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    66   0.23400  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    66   0.62750  1.0 1.0
   38    33    58    66  -0.30950 -1.0 2.0
   38    33    58    66   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    48   0.56750  1.0 1.0
   38    40   -43    48  -0.07550 -1.0 2.0
   38    40   -43    48   0.20000  1.0 3.0
   38    40    43    50   0.62750  1.0 1.0
   38    40    43    50  -0.30950 -1.0 2.0
   38    40    43    50   0.27300  1.0 3.0
   38    40    45    51  -2.65550  1.0 1.0
   38    40    45    51  -0.22350 -1.0 2.0
   38    40    45    51   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    54   0.91800  1.0 1.0
   38    42    46    54   0.22900 -1.0 2.0
   38    42    46    54   0.32050  1.0 3.0
   38    42    46    56   0.91800  1.0 1.0
   38    42    46    56   0.22900 -1.0 2.0
   38    42    46    56   0.32050  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    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    58   0.56750  1.0 1.0
   40    43    48    58  -0.07550 -1.0 2.0
   40    43    48    58   0.20000  1.0 3.0
   40    43    48    60   0.62750  1.0 1.0
   40    43    48    60  -0.30950 -1.0 2.0
   40    43    48    60   0.27300  1.0 3.0
   40    43    50    61  -2.65550  1.0 1.0
   40    43    50    61  -0.22350 -1.0 2.0
   40    43    50    61   0.24150  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    64   0.05050  1.0 1.0
   40    45    51    64  -1.30700 -1.0 2.0
   40    45    51    64   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    51   0.03000  1.0 3.0
   43    40    45    51  -2.65550  1.0 1.0
   43    40    45    51  -0.22350 -1.0 2.0
   43    40    45    51   0.24150  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    66   0.62750  1.0 1.0
   43    48    58    66  -0.30950 -1.0 2.0
   43    48    58    66   0.27300  1.0 3.0
   43    48    60    67  -2.65550  1.0 1.0
   43    48    60    67  -0.22350 -1.0 2.0
   43    48    60    67   0.24150  1.0 3.0
   43    50    61    62   0.00000  1.0 1.0
   43    50    61    63   0.00000  1.0 1.0
   43    50    61    69   0.05050  1.0 1.0
   43    50    61    69  -1.30700 -1.0 2.0
   43    50    61    69   0.91550  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   44    43    48    60   0.23400  1.0 3.0
   44    43    50    61   0.03000  1.0 3.0
   48    43    50    61  -2.65550  1.0 1.0
   48    43    50    61  -0.22350 -1.0 2.0
   48    43    50    61   0.24150  1.0 3.0
   48    58    66    71  -2.65550  1.0 1.0
   48    58    66    71  -0.22350 -1.0 2.0
   48    58    66    71   0.24150  1.0 3.0
   48    60    67    68   0.00000  1.0 1.0
   48    60    67    74   0.91800  1.0 1.0
   48    60    67    74   0.22900 -1.0 2.0
   48    60    67    74   0.32050  1.0 3.0
   48    60    67    76   0.91800  1.0 1.0
   48    60    67    76   0.22900 -1.0 2.0
   48    60    67    76   0.32050  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    66   0.23400  1.0 3.0
   49    48    60    67   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    48    60    67  -2.65550  1.0 1.0
   58    48    60    67  -0.22350 -1.0 2.0
   58    48    60    67   0.24150  1.0 3.0
   58    66    71    72   0.00000  1.0 1.0
   58    66    71    73   0.00000  1.0 1.0
   58    66    71    78   0.05050  1.0 1.0
   58    66    71    78  -1.30700 -1.0 2.0
   58    66    71    78   0.91550  1.0 3.0
   59    58    66    71   0.03000  1.0 3.0
   66    71    78    79   0.15000  1.0 3.0
   71    78    79    80   0.50000  1.0 3.0
   71    78    79    81   0.50000  1.0 3.0
   71    78    79    82   0.15000  1.0 3.0
   72    71    78    79   0.50000  1.0 3.0
   73    71    78    79   0.50000  1.0 3.0
   78    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   60    48    58    33   0.62750  1.0 1.0
   60    48    58    33  -0.30950 -1.0 2.0
   60    48    58    33   0.27300  1.0 3.0
   60    48    58    59   0.23400  1.0 3.0
   60    48    58    66   1.11900  1.0 1.0
   60    48    58    66  -1.16350 -1.0 2.0
   60    48    58    66  -0.34150  1.0 3.0
   60    67    74    75  -0.22900  1.0 1.0
   60    67    74    75   0.09450 -1.0 2.0
   60    67    74    75  -0.07800  1.0 3.0
   60    67    76    77  -0.22900  1.0 1.0
   60    67    76    77   0.09450 -1.0 2.0
   60    67    76    77  -0.07800  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    76    77   0.00000  1.0 1.0
   74    67    76    77  -0.22900  1.0 1.0
   74    67    76    77   0.09450 -1.0 2.0
   74    67    76    77  -0.07800  1.0 3.0
   76    67    74    75  -0.22900  1.0 1.0
   76    67    74    75   0.09450 -1.0 2.0
   76    67    74    75  -0.07800  1.0 3.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    58   0.62750  1.0 1.0
   50    43    48    58  -0.30950 -1.0 2.0
   50    43    48    58   0.27300  1.0 3.0
   50    43    48    60   1.11900  1.0 1.0
   50    43    48    60  -1.16350 -1.0 2.0
   50    43    48    60  -0.34150  1.0 3.0
   50    61    69    70   0.00000  1.0 1.0
   62    61    69    70   0.00000  1.0 1.0
   63    61    69    70   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    48   0.62750  1.0 1.0
   45    40    43    48  -0.30950 -1.0 2.0
   45    40    43    48   0.27300  1.0 3.0
   45    40    43    50   1.11900  1.0 1.0
   45    40    43    50  -1.16350 -1.0 2.0
   45    40    43    50  -0.34150  1.0 3.0
   45    51    64    65   0.00000  1.0 1.0
   52    51    64    65   0.00000  1.0 1.0
   53    51    64    65   0.00000  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   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    54    55  -0.22900  1.0 1.0
   42    46    54    55   0.09450 -1.0 2.0
   42    46    54    55  -0.07800  1.0 3.0
   42    46    56    57  -0.22900  1.0 1.0
   42    46    56    57   0.09450 -1.0 2.0
   42    46    56    57  -0.07800  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    56    57   0.00000  1.0 1.0
   54    46    56    57  -0.22900  1.0 1.0
   54    46    56    57   0.09450 -1.0 2.0
   54    46    56    57  -0.07800  1.0 3.0
   56    46    54    55  -0.22900  1.0 1.0
   56    46    54    55   0.09450 -1.0 2.0
   56    46    54    55  -0.07800  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
   36    30    35    37  10.50000 -1.0 2.0
END
