* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    30.98945    89.45511   -20.19851
    2     1 S   H    _HN1     2     1.03227   122.34073    83.09433
    3     1 S   H    _H1_     3     1.02661    21.28152    33.05870
    4     1 S   H    _H2_     4     1.03482   112.26776   -46.91462
    5     1 S   CT   _CA1     5     1.50092    90.67272  -160.48677
    6     5 S   HC   _HA1     6     1.09547   105.07773    61.36765
    7     5 S   CO3  _C1_     7     1.53709   113.62750   -59.02846
    8     7 S   O2Z  _O11     8     1.26363   115.47379   -32.98794
    9     7 S   O2Z  _O12     9     1.26342   114.92961   146.43297
   10     5 S   CT   _CB1    10     1.52762   107.14371   179.81869
   11    10 S   HC   HB11    11     1.09531   109.40129   -41.89570
   12    10 S   HC   HB12    12     1.09780   110.18541    74.14683
   13    10 S   CT   _CG1    13     1.52969   113.60784  -163.00323
   14    13 S   HC   HG11    14     1.09512   111.28258   -72.31321
   15    13 S   HC   HG12    15     1.09568   111.08994    47.62523
   16    13 S   C    _CD1    16     1.51405   108.85367   166.43463
   17    16 S   O    _OE1    17     1.22843   121.86459   -95.88346
   18    16 S   N    _N2_    18     1.38433   112.96704    81.47832
   19    18 S   H    _HN2    19     1.01537   119.17624     8.61894
   20    18 S   CT1  _CA2    20     1.46073   123.09240  -169.27945
   21    20 S   HC   _HA2    21     1.09573   108.47066    15.68339
   22    20 S   C    _C2_    22     1.53655   110.69267  -100.39430
   23    22 S   O    _O2_    23     1.23171   121.87269  -149.62457
   24    20 S   CT   _CB2    32     1.53814   111.64746   136.67376
   25    24 S   HC   HB21    33     1.09689   109.19487    75.37422
   26    24 S   HC   HB22    34     1.09520   110.61453  -168.22087
   27    22 S   N    _N3_    24     1.38223   114.48086    37.58195
   28    27 S   H    _HN3    25     1.01546   119.85301    -1.98347
   29    24 S   S    _SG2    35     1.83090   115.71538   -43.11508
   30    27 S   CT   _CA3    26     1.45338   122.83744   177.07926
   31    30 S   HC   HA31    27     1.09558   107.43339   -65.76604
   32    30 S   HC   HA32    28     1.09570   107.99887    50.57566
   33    29 S   CT   _C7_    36     1.84204   101.38018   -66.42147
   34    33 S   HC   _H6_    37     1.09503   107.66128    39.45229
   35    30 S   CO3  _C3_    29     1.52892   114.39908   172.72306
   36    35 S   O2Z  _O31    30     1.26319   116.14976     1.19091
   37    35 S   O2Z  _O32    31     1.26466   114.37558  -178.75778
   38    33 S   CT   _C6_    38     1.54172   110.86554   -79.36521
   39    38 S   HC   _H5_    39     1.09561   110.88624    44.15516
   40    38 S   CT   _C5_    40     1.53868   112.61044   -77.69880
   41    40 S   HC   _H4_    41     1.09714   108.73263    67.13160
   42    38 S   OS   _O44    78     1.43081   108.21235   161.12670
   43    40 S   CT   _C4_    42     1.53669   113.44176   -52.96296
   44    43 S   HC   _H3_    43     1.09717   108.25716   177.51856
   45    40 S   OS   _O48    71     1.42716   109.49423  -175.04362
   46    42 S   P2   _P4_    79     1.62983   118.66522  -104.08794
   47    46 S   O2Z  _O47    80     1.51151   109.39211    62.51917
   48    46 S   O2Z  _O45    81     1.51150   109.30049   -72.11539
   49    43 S   CT   _C9_    44     1.53722   110.07409    56.52029
   50    49 S   HC   _H8_    45     1.09381   108.11138  -174.26243
   51    43 S   OS   _O52    65     1.42437   109.85772   -64.07311
   52    45 S   P1   _P5_    72     1.61294   119.12781   -96.95084
   53    52 S   O2Z  _O49    73     1.49922   115.66203    51.49343
   54    46 S   OS   _O46    82     1.62964    98.33859   174.89815
   55    54 S   HO   _H12    83     0.97890   116.05088   -75.03913
   56    33 S   CT   _C8_    46     1.55148   110.11699   155.03363
   57    56 S   HC   _H7_    47     1.09430   108.41941   -44.64518
   58    49 S   OS   _O33    58     1.42527   108.68475    68.13110
   59    51 S   P2   _P6_    66     1.62821   120.34728  -147.36161
   60    59 S   O2Z  _O55    67     1.51114   110.55269   -43.29563
   61    59 S   O2Z  _O53    68     1.51199   108.73235    91.55441
   62    52 S   OS   _O50    74     1.61433   103.92645   -74.72764
   63    62 S   HO   _H13    75     0.97891   117.79298   171.88434
   64    52 S   OS   _O51    76     1.61303   103.59552   177.87312
   65    64 S   HO   _H14    77     0.97868   117.91297  -166.60883
   66    56 S   OS   _O37    48     1.43092   107.87384  -160.99725
   67    58 S   P1   _P1_    59     1.61471   119.23635   145.30656
   68    67 S   O2Z  _O34    60     1.49918   115.66782    55.40302
   69    59 S   OS   _O54    69     1.63118    97.87086  -155.88779
   70    69 S   HO   _H15    70     0.98429   116.30240    70.63084
   71    66 S   P2   _P2_    49     1.63247   120.87631   148.84105
   72    71 S   O2Z  _O39    50     1.51312   107.59393   153.01594
   73    71 S   O2Z  _O38    51     1.51329   110.28908    19.23200
   74    67 S   OS   _O35    61     1.61267   104.16082   -71.63318
   75    74 S   HO   _H9_    62     0.97897   118.05929   166.52002
   76    67 S   OS   _O36    63     1.61395   103.46138  -179.05768
   77    76 S   HO   _H10    64     0.97930   117.68457  -168.43995
   78    71 S   OS   _O40    52     1.62735    98.40062   -93.87408
   79    78 S   P2   _P3_    53     1.62528   129.64400   179.42939
   80    79 S   O2Z  _O43    54     1.51215   109.13520   -57.51788
   81    79 S   O2Z  _O41    55     1.51038   109.67526    77.74927
   82    79 S   OS   _O42    56     1.62972    98.34698  -169.86127
   83    82 S   HO   _H11    57     0.97906   116.50596   -74.35527
  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   8  15   7   8   4   3   2
  12   6   7   5   4   1   1   8   3   7   4   3   2   3   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    56    57    66    71    58    45    42    46  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    51    45    52    42    46    47    48    54  
   40    41    43    56    45    42    46  
   41    43    44    49    50    56    58    51    59    45    52    53    62    64    42    46  
   43    44    49    51    45    52    42  
   46    47    48    54    55    43    45    56  
   44    49    50    56    57    66    58    67    51    59    60    61    69    45    52  
   49    50    56    58    51    59    45  
   52    53    62    63    64    65    49    51  
   47    48    54    55  
   48    54    55  
   54    55  
   50    56    57    66    71    58    67    68    74    76    51    59  
   56    57    66    58    67    51  
   59    60    61    69    70    56    58  
   53    62    63    64    65  
   62    63    64    65  
   55  
    0  
   57    66    71    72    73    78    58    67  
   66    71    58  
   67    68    74    75    76    77    66  
   60    61    69    70  
   61    69    70  
   69    70  
   63    64    65  
   64  
   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   0.140000   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   0.212900   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  -0.610000   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  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.568200   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    56   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    56   268.000  1.529
   49    58   320.000  1.410
   56    57   340.000  1.090
   56    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
   58    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
   51    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    69   230.000  1.697
   69    70   553.000  0.945
   45    52   405.000  1.623
   52    53   675.000  1.490
   52    62   405.000  1.623
   52    64   405.000  1.623
   62    63   553.000  0.945
   64    65   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    54   230.000  1.697
   54    55   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    56    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    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    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   100.00000  120.50000
   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    52    75.00000  119.24600
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    56    58.35000  112.70000
   43    49    58    50.00000  109.50000
   43    51    59   100.00000  120.50000
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    66    50.00000  109.50000
   49    58    67    75.00000  119.24600
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    49    50    37.50000  110.70000
   56    66    71   100.00000  120.50000
   66    56    57    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
   58    49    50    35.00000  109.50000
   58    49    56    50.00000  109.50000
   58    67    68   100.00000  115.86100
   58    67    74   120.00000  102.38000
   58    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
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  108.23000
   51    59    61   100.00000  108.23000
   51    59    69    45.00000  102.60000
   59    69    70    45.00000  108.50000
   61    59    60   140.00000  119.90000
   69    59    60   100.00000  108.23000
   69    59    61   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  115.86100
   45    52    62   120.00000  102.38000
   45    52    64   120.00000  102.38000
   52    62    63    50.00000  113.86100
   52    64    65    50.00000  113.86100
   62    52    53   100.00000  115.86100
   64    52    53   100.00000  115.86100
   64    52    62   120.00000  102.38000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    54    45.00000  102.60000
   46    54    55    45.00000  108.50000
   48    46    47   140.00000  119.90000
   54    46    47   100.00000  108.23000
   54    46    48   100.00000  108.23000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.56750  1.0 1.0
   29    33    56    66  -0.07550 -1.0 2.0
   29    33    56    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    56    66    71  -2.65550  1.0 1.0
   33    56    66    71  -0.22350 -1.0 2.0
   33    56    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    56    49   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    66   0.23400  1.0 3.0
   38    33    56    49   0.56750  1.0 1.0
   38    33    56    49  -0.07550 -1.0 2.0
   38    33    56    49   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    66   0.62750  1.0 1.0
   38    33    56    66  -0.30950 -1.0 2.0
   38    33    56    66   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   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.05050  1.0 1.0
   38    42    46    54  -1.30700 -1.0 2.0
   38    42    46    54   0.91550  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    49    50   0.15000  1.0 3.0
   40    43    49    56   0.56750  1.0 1.0
   40    43    49    56  -0.07550 -1.0 2.0
   40    43    49    56   0.20000  1.0 3.0
   40    43    49    58   0.62750  1.0 1.0
   40    43    49    58  -0.30950 -1.0 2.0
   40    43    49    58   0.27300  1.0 3.0
   40    43    51    59  -2.65550  1.0 1.0
   40    43    51    59  -0.22350 -1.0 2.0
   40    43    51    59   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    62   0.91800  1.0 1.0
   40    45    52    62   0.22900 -1.0 2.0
   40    45    52    62   0.32050  1.0 3.0
   40    45    52    64   0.91800  1.0 1.0
   40    45    52    64   0.22900 -1.0 2.0
   40    45    52    64   0.32050  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    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -56    33   0.56750  1.0 1.0
   43    49   -56    33  -0.07550 -1.0 2.0
   43    49   -56    33   0.20000  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    66   0.62750  1.0 1.0
   43    49    56    66  -0.30950 -1.0 2.0
   43    49    56    66   0.27300  1.0 3.0
   43    49    58    67  -2.65550  1.0 1.0
   43    49    58    67  -0.22350 -1.0 2.0
   43    49    58    67   0.24150  1.0 3.0
   43    51    59    60   0.00000  1.0 1.0
   43    51    59    61   0.00000  1.0 1.0
   43    51    59    69   0.05050  1.0 1.0
   43    51    59    69  -1.30700 -1.0 2.0
   43    51    59    69   0.91550  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    49    58   0.23400  1.0 3.0
   44    43    51    59   0.03000  1.0 3.0
   49    43    51    59  -2.65550  1.0 1.0
   49    43    51    59  -0.22350 -1.0 2.0
   49    43    51    59   0.24150  1.0 3.0
   49    56    66    71  -2.65550  1.0 1.0
   49    56    66    71  -0.22350 -1.0 2.0
   49    56    66    71   0.24150  1.0 3.0
   49    58    67    68   0.00000  1.0 1.0
   49    58    67    74   0.91800  1.0 1.0
   49    58    67    74   0.22900 -1.0 2.0
   49    58    67    74   0.32050  1.0 3.0
   49    58    67    76   0.91800  1.0 1.0
   49    58    67    76   0.22900 -1.0 2.0
   49    58    67    76   0.32050  1.0 3.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    66   0.23400  1.0 3.0
   50    49    58    67   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    49    58    67  -2.65550  1.0 1.0
   56    49    58    67  -0.22350 -1.0 2.0
   56    49    58    67   0.24150  1.0 3.0
   56    66    71    72   0.00000  1.0 1.0
   56    66    71    73   0.00000  1.0 1.0
   56    66    71    78   0.05050  1.0 1.0
   56    66    71    78  -1.30700 -1.0 2.0
   56    66    71    78   0.91550  1.0 3.0
   57    56    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
   58    49    56    33   0.62750  1.0 1.0
   58    49    56    33  -0.30950 -1.0 2.0
   58    49    56    33   0.27300  1.0 3.0
   58    49    56    57   0.23400  1.0 3.0
   58    49    56    66   1.11900  1.0 1.0
   58    49    56    66  -1.16350 -1.0 2.0
   58    49    56    66  -0.34150  1.0 3.0
   58    67    74    75  -0.22900  1.0 1.0
   58    67    74    75   0.09450 -1.0 2.0
   58    67    74    75  -0.07800  1.0 3.0
   58    67    76    77  -0.22900  1.0 1.0
   58    67    76    77   0.09450 -1.0 2.0
   58    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
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    56   0.62750  1.0 1.0
   51    43    49    56  -0.30950 -1.0 2.0
   51    43    49    56   0.27300  1.0 3.0
   51    43    49    58   1.11900  1.0 1.0
   51    43    49    58  -1.16350 -1.0 2.0
   51    43    49    58  -0.34150  1.0 3.0
   51    59    69    70   0.00000  1.0 1.0
   60    59    69    70   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    62    63  -0.22900  1.0 1.0
   45    52    62    63   0.09450 -1.0 2.0
   45    52    62    63  -0.07800  1.0 3.0
   45    52    64    65  -0.22900  1.0 1.0
   45    52    64    65   0.09450 -1.0 2.0
   45    52    64    65  -0.07800  1.0 3.0
   53    52    62    63   0.00000  1.0 1.0
   53    52    64    65   0.00000  1.0 1.0
   62    52    64    65  -0.22900  1.0 1.0
   62    52    64    65   0.09450 -1.0 2.0
   62    52    64    65  -0.07800  1.0 3.0
   64    52    62    63  -0.22900  1.0 1.0
   64    52    62    63   0.09450 -1.0 2.0
   64    52    62    63  -0.07800  1.0 3.0
   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   0.00000  1.0 1.0
   47    46    54    55   0.00000  1.0 1.0
   48    46    54    55   0.00000  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
