* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    152    218     436
    1     0 S   NP   _N1_     1    30.55683    98.94598   -19.86386
    2     1 S   H    _HN1     2     1.02819    27.19593   127.81292
    3     1 S   H    _H1_     3     1.03734   128.22504    83.63626
    4     1 S   H    _H2_     4     1.02801   110.16283  -141.55340
    5     1 S   CT   _CA1     5     1.50516    85.33472   -29.63312
    6     5 S   HC   _HA1     6     1.09662   104.22848    81.86217
    7     5 S   CO3  _C1_     7     1.54377   111.96718   -33.53391
    8     7 S   O2Z  _O11     8     1.26076   116.73532  -138.89332
    9     7 S   O2Z  _O12     9     1.26666   114.08036    41.33945
   10     5 S   CT   _CB1    10     1.53040   106.69683  -161.56196
   11    10 S   HC   HB11    11     1.09579   109.39958   -31.17728
   12    10 S   HC   HB12    12     1.09778   110.58849    84.58975
   13    10 S   CT   _CG1    13     1.53157   112.73399  -152.76062
   14    13 S   HC   HG11    14     1.09472   111.15883   -67.41588
   15    13 S   HC   HG12    15     1.09652   110.68463    51.70019
   16    13 S   C    _CD1    16     1.51648   111.01467   171.83473
   17    16 S   O    _OE1    17     1.22826   122.13267   110.98475
   18    16 S   N    _N2_    18     1.38302   112.68239   -68.58376
   19    18 S   H    _HN2    19     1.02247   118.76784    -3.15194
   20    18 S   CT1  _CA2    20     1.45862   123.61372   178.51628
   21    20 S   HC   _HA2    21     1.09689   108.34307    38.22634
   22    20 S   C    _C2_    22     1.53232   109.79705   -78.84014
   23    22 S   O    _O2_    23     1.23160   120.98074   156.40253
   24    20 S   CT   _CB2    32     1.53336   111.35864   161.30316
   25    24 S   HC   HB21    33     1.09616   109.75344    58.87590
   26    24 S   HC   HB22    34     1.09533   110.49113   177.39165
   27    22 S   N    _N3_    24     1.38263   114.59517   -30.79584
   28    27 S   H    _HN3    25     1.01652   119.25052     3.17077
   29    24 S   S    _SG2    35     1.82573   111.42298   -62.10704
   30    27 S   CT   _CA3    26     1.45253   123.12175  -177.48184
   31    30 S   HC   HA31    27     1.09566   108.17048   -46.57340
   32    30 S   HC   HA32    28     1.09558   107.21423    69.71126
   33    29 S   CT   _C12    36     1.82483    99.00667   157.54237
   34    33 S   HC   _H8_    37     1.09671   108.08594   -50.23930
   35    30 S   CO3  _C3_    29     1.52987   114.57371  -168.73404
   36    35 S   O2Z  _O31    30     1.26320   116.35798     4.05830
   37    35 S   O2Z  _O32    31     1.26505   114.27108  -176.10781
   38    33 S   CT   _C13    38     1.51983   115.41242    72.47887
   39    38 S   HC   _H9_    39     1.09435   113.46094   -78.37918
   40    38 S   CT   _C14    40     1.52505   101.91229   159.03059
   41    40 S   HC   _H10    41     1.09533   112.00945  -149.73689
   42    38 S   OH   _O43    80     1.42818   110.97727    43.81438
   43    42 S   HO   _H21    81     0.97224   107.48826   176.47419
   44    40 S   OS   _O42    42     1.43973   106.07102   -32.60233
   45    40 S   CT   _C15    76     1.52352   113.29982    85.91102
   46    45 S   HC   _H18    77     1.09489   111.90648   -59.94280
   47    45 S   HC   _H19    78     1.09551   110.05699  -177.91484
   48    45 S   HC   _H20    79     1.09402   111.09926    61.83593
   49    33 S   CT   _C11    43     1.52910   112.48950  -170.52203
   50    49 S   HC   _H7_    44     1.09700   112.37016   -37.78026
   51    49 S   CT   _C10    45     1.52625   112.66901    87.84964
   52    51 S   HC   _H16    46     1.09493   110.97844    69.77485
   53    51 S   HC   _H17    47     1.09324   110.64543   -51.07278
   54    51 S   OS   _O41    48     1.42358   109.59226  -168.44517
   55    54 S   P2   _P2_    49     1.63276   120.30367  -118.46343
   56    55 S   O2Z  _O40    50     1.51324   107.85717  -174.96760
   57    55 S   O2Z  _O39    51     1.51307   109.25660    53.08070
   58    55 S   OS   _O38    52     1.63449   100.72560   -60.39322
   59    58 S   CT   _C7_    53     1.42207   121.02802   -63.51101
   60    59 S   HC   _H5_    54     1.09452   110.16149    40.17608
   61    59 S   CT   _C6_    55     1.51842   110.44652   -86.50014
   62    61 S   HC   _H4_    56     1.09207   114.83317    40.66089
   63    61 S   CT   _C5_    57     1.52893   103.68945   -82.43288
   64    63 S   HC   _H3_    58     1.09567   111.61379  -139.59608
   65    61 S   OH   _O44    74     1.42890   108.43793   161.48808
   66    65 S   HO   _H22    75     0.97237   107.25871   179.80719
   67    63 S   OS   _O33    59     1.43964   107.04922   -22.10782
   68    63 S   CT   _C4_    70     1.52228   113.24099    96.58576
   69    68 S   HC   _H11    71     1.09458   111.75461   -60.52225
   70    68 S   HC   _H12    72     1.09551   110.13412  -178.51233
   71    68 S   HC   _H13    73     1.09407   111.15677    61.20471
   72    59 S   CT   _C8_    60     1.53210   110.19709   162.92991
   73    72 S   HC   _H6_    61     1.09819   108.76647  -164.15582
   74    72 S   CT   _C9_    62     1.52161   116.48073   -40.47961
   75    74 S   HC   _H14    63     1.09577   109.50936   173.78211
   76    74 S   HC   _H15    64     1.09515   111.39977    55.86634
   77    74 S   OS   _O34    65     1.41893   109.64235   -66.03799
   78    77 S   P3   _P1_    66     1.64908   118.33197  -172.73105
   79    78 S   O2Z  _O36    67     1.52310   103.50933  -178.12101
   80    78 S   O2Z  _O37    68     1.52594   104.63139    62.61769
   81    78 S   O2Z  _O35    69     1.52394   104.83878   -58.29607
  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
  15   8   2   1   1  13   7  11   7   4   1  10   4   2   1   1
   6   4   7   3   2   5   7   3   2  10  15   8  13   7  11   7
   4   1  10   4   2   1   1   6   4   7   3   2   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    50    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    52    53    54    45    42    43  
   38    39    40    44    49    50    51    42  
   36    37  
   37  
    0  
   39    40    41    44    49    50    51    45    46    47    48    42    43  
   40    41    44    49    45    42    43  
   41    44    49    50    51    45    46    47    48    42    43  
   44    49    45    46    47    48    42  
   43    44    45    49  
    0  
   49    50    51    52    53    54    45    46    47    48  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55  
   51    52    53    54  
   52    53    54    55    56    57    58  
   53    54    55  
   54    55  
   55    56    57    58    59  
   56    57    58    59    60    61    72  
   57    58    59  
   58    59  
   59    60    61    62    63    67    72    73    74    65  
   60    61    62    63    64    67    72    73    74    75    76    77    68    65    66  
   61    62    63    67    72    73    74    65  
   62    63    64    67    72    73    74    68    69    70    71    65    66  
   63    64    67    72    68    65    66  
   64    67    72    73    74    68    69    70    71    65    66  
   67    72    68    69    70    71    65  
   66    67    68    72  
    0  
   72    73    74    75    76    77    68    69    70    71  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   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   0.205000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   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   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   79   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   80   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   81   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    49   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    44   320.000  1.410
   40    45   268.000  1.529
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   320.000  1.410
   54    55   230.000  1.697
   55    56   525.000  1.480
   55    57   525.000  1.480
   55    58   230.000  1.697
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    72   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   320.000  1.410
   63    68   268.000  1.529
   67    72   320.000  1.410
   72    73   340.000  1.090
   72    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   320.000  1.410
   77    78   230.000  1.630
   78    79   525.000  1.516
   78    80   525.000  1.516
   78    81   525.000  1.516
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   65    66   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   42    43   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    49    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    49    44    50.00000  109.50000
   33    49    50    37.50000  110.70000
   33    49    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    49    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    50.00000  109.50000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    54    55   100.00000  120.50000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56   100.00000  108.23000
   54    55    57   100.00000  108.23000
   54    55    58    45.00000  102.60000
   55    58    59   100.00000  120.50000
   57    55    56   140.00000  119.90000
   58    55    56   100.00000  108.23000
   58    55    57   100.00000  108.23000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    72    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    65    50.00000  109.50000
   59    72    67    50.00000  109.50000
   59    72    73    37.50000  110.70000
   59    72    74    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    50.00000  109.50000
   61    63    68    58.35000  112.70000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    72    60.00000  109.50000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   67    63    64    35.00000  109.50000
   67    72    73    35.00000  109.50000
   67    72    74    50.00000  109.50000
   72    59    60    37.50000  110.70000
   72    59    61    58.35000  112.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    50.00000  109.50000
   74    72    73    37.50000  110.70000
   74    77    78    80.00000  112.68000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    78    79   100.00000  107.00000
   77    78    80   100.00000  107.00000
   77    78    81   100.00000  107.00000
   80    78    79   140.00000  114.00000
   81    78    79   140.00000  114.00000
   81    78    80   140.00000  114.00000
   68    63    64    37.50000  110.70000
   68    63    67    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    49    51    52   0.15000  1.0 3.0
   33    49    51    53   0.15000  1.0 3.0
   33    49    51    54   0.62750  1.0 1.0
   33    49    51    54  -0.30950 -1.0 2.0
   33    49    51    54   0.27300  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    49    44   0.23400  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33   -49    44   0.62750  1.0 1.0
   38    33   -49    44  -0.30950 -1.0 2.0
   38    33   -49    44   0.27300  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   0.56750  1.0 1.0
   38    33    49    51  -0.07550 -1.0 2.0
   38    33    49    51   0.20000  1.0 3.0
   38    40   -44    49   0.06250  1.0 1.0
   38    40   -44    49  -0.01100 -1.0 2.0
   38    40   -44    49   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    48   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -49    33   0.06250  1.0 1.0
   40    44   -49    33  -0.01100 -1.0 2.0
   40    44   -49    33   0.28050  1.0 3.0
   40    44    49    50   0.37050  1.0 3.0
   40    44    49    51   0.06250  1.0 1.0
   40    44    49    51  -0.01100 -1.0 2.0
   40    44    49    51   0.28050  1.0 3.0
   41    40    44    49   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    48   0.23400  1.0 3.0
   44    49    51    52   0.23400  1.0 3.0
   44    49    51    53   0.23400  1.0 3.0
   44    49    51    54   1.11900  1.0 1.0
   44    49    51    54  -1.16350 -1.0 2.0
   44    49    51    54  -0.34150  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.56750  1.0 1.0
   49    33   -38    40  -0.07550 -1.0 2.0
   49    33   -38    40   0.20000  1.0 3.0
   49    33    38    42   0.86500  1.0 1.0
   49    33    38    42  -0.17500 -1.0 2.0
   49    33    38    42   0.20800  1.0 3.0
   49    51    54    55  -2.65550  1.0 1.0
   49    51    54    55  -0.22350 -1.0 2.0
   49    51    54    55   0.24150  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.23400  1.0 3.0
   51    54    55    56   0.00000  1.0 1.0
   51    54    55    57   0.00000  1.0 1.0
   51    54    55    58   0.05050  1.0 1.0
   51    54    55    58  -1.30700 -1.0 2.0
   51    54    55    58   0.91550  1.0 3.0
   52    51    54    55   0.03000  1.0 3.0
   53    51    54    55   0.03000  1.0 3.0
   54    55    58    59   0.05050  1.0 1.0
   54    55    58    59  -1.30700 -1.0 2.0
   54    55    58    59   0.91550  1.0 3.0
   55    58    59    60   0.03000  1.0 3.0
   55    58    59    61  -2.65550  1.0 1.0
   55    58    59    61  -0.22350 -1.0 2.0
   55    58    59    61   0.24150  1.0 3.0
   55    58    59    72  -2.65550  1.0 1.0
   55    58    59    72  -0.22350 -1.0 2.0
   55    58    59    72   0.24150  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   57    55    58    59   0.00000  1.0 1.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.62750  1.0 1.0
   58    59    61    63  -0.30950 -1.0 2.0
   58    59    61    63   0.27300  1.0 3.0
   58    59    61    65   3.69350  1.0 1.0
   58    59    61    65  -1.82950 -1.0 2.0
   58    59    72    67   1.11900  1.0 1.0
   58    59    72    67  -1.16350 -1.0 2.0
   58    59    72    67  -0.34150  1.0 3.0
   58    59    72    73   0.23400  1.0 3.0
   58    59    72    74   0.62750  1.0 1.0
   58    59    72    74  -0.30950 -1.0 2.0
   58    59    72    74   0.27300  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    67   0.62750  1.0 1.0
   59    61   -63    67  -0.30950 -1.0 2.0
   59    61   -63    67   0.27300  1.0 3.0
   59    61    63    68   0.56750  1.0 1.0
   59    61    63    68  -0.07550 -1.0 2.0
   59    61    63    68   0.20000  1.0 3.0
   59    61    65    66  -0.11600  1.0 1.0
   59    61    65    66  -0.09450 -1.0 2.0
   59    61    65    66   0.21250  1.0 3.0
   59    72    74    75   0.15000  1.0 3.0
   59    72    74    76   0.15000  1.0 3.0
   59    72    74    77   0.62750  1.0 1.0
   59    72    74    77  -0.30950 -1.0 2.0
   59    72    74    77   0.27300  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    72    67   0.23400  1.0 3.0
   60    59    72    73   0.15000  1.0 3.0
   60    59    72    74   0.15000  1.0 3.0
   61    59   -72    67   0.62750  1.0 1.0
   61    59   -72    67  -0.30950 -1.0 2.0
   61    59   -72    67   0.27300  1.0 3.0
   61    59    72    73   0.15000  1.0 3.0
   61    59    72    74   0.56750  1.0 1.0
   61    59    72    74  -0.07550 -1.0 2.0
   61    59    72    74   0.20000  1.0 3.0
   61    63   -67    72   0.06250  1.0 1.0
   61    63   -67    72  -0.01100 -1.0 2.0
   61    63   -67    72   0.28050  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70   0.15000  1.0 3.0
   61    63    68    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67   -72    59   0.06250  1.0 1.0
   63    67   -72    59  -0.01100 -1.0 2.0
   63    67   -72    59   0.28050  1.0 3.0
   63    67    72    73   0.37050  1.0 3.0
   63    67    72    74   0.06250  1.0 1.0
   63    67    72    74  -0.01100 -1.0 2.0
   63    67    72    74   0.28050  1.0 3.0
   64    63    67    72   0.37050  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   67    63    68    69   0.23400  1.0 3.0
   67    63    68    70   0.23400  1.0 3.0
   67    63    68    71   0.23400  1.0 3.0
   67    72    74    75   0.23400  1.0 3.0
   67    72    74    76   0.23400  1.0 3.0
   67    72    74    77   1.11900  1.0 1.0
   67    72    74    77  -1.16350 -1.0 2.0
   67    72    74    77  -0.34150  1.0 3.0
   72    59    61    62   0.15000  1.0 3.0
   72    59   -61    63   0.56750  1.0 1.0
   72    59   -61    63  -0.07550 -1.0 2.0
   72    59   -61    63   0.20000  1.0 3.0
   72    59    61    65   0.86500  1.0 1.0
   72    59    61    65  -0.17500 -1.0 2.0
   72    59    61    65   0.20800  1.0 3.0
   72    74    77    78  -2.65550  1.0 1.0
   72    74    77    78  -0.22350 -1.0 2.0
   72    74    77    78   0.24150  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.23400  1.0 3.0
   74    77    78    79   0.00000  1.0 1.0
   74    77    78    80   0.00000  1.0 1.0
   74    77    78    81   0.00000  1.0 1.0
   75    74    77    78   0.03000  1.0 3.0
   76    74    77    78   0.03000  1.0 3.0
   68    63    67    72   0.06250  1.0 1.0
   68    63    67    72  -0.01100 -1.0 2.0
   68    63    67    72   0.28050  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   3.69350  1.0 1.0
   65    61    63    67  -1.82950 -1.0 2.0
   65    61    63    68   0.86500  1.0 1.0
   65    61    63    68  -0.17500 -1.0 2.0
   65    61    63    68   0.20800  1.0 3.0
   45    40    44    49   0.06250  1.0 1.0
   45    40    44    49  -0.01100 -1.0 2.0
   45    40    44    49   0.28050  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
