* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    30.34656    91.43684   -20.02391
    2     1 S   H    _HN1     2     1.03307   116.74834    94.42209
    3     1 S   H    _H1_     3     1.02696     9.81518    72.51327
    4     1 S   H    _H2_     4     1.03096   107.34010   -24.26494
    5     1 S   CT   _CA1     5     1.49978   103.92773  -143.00150
    6     5 S   HC   _HA1     6     1.09572   105.22932    58.15089
    7     5 S   CO3  _C1_     7     1.53723   112.80198   -62.13572
    8     7 S   O2Z  _O11     8     1.26322   115.35332   -46.74942
    9     7 S   O2Z  _O12     9     1.26309   114.82166   132.44662
   10     5 S   CT   _CB1    10     1.52828   107.02757   175.89888
   11    10 S   HC   HB11    11     1.09742   109.25330   -51.32254
   12    10 S   HC   HB12    12     1.09787   110.14106    64.82674
   13    10 S   CT   _CG1    13     1.52875   113.48281  -172.08753
   14    13 S   HC   HG11    14     1.09542   111.41507   -64.75322
   15    13 S   HC   HG12    15     1.09572   110.86668    54.98921
   16    13 S   C    _CD1    16     1.51391   109.18080   174.30054
   17    16 S   O    _OE1    17     1.22802   121.75617   -97.38480
   18    16 S   N    _N2_    18     1.38424   112.70120    80.52752
   19    18 S   H    _HN2    19     1.01551   119.05200     6.64210
   20    18 S   CT1  _CA2    20     1.46100   123.52173  -173.33803
   21    20 S   HC   _HA2    21     1.09498   109.04962     9.81308
   22    20 S   C    _C2_    22     1.53556   109.54306  -106.08381
   23    22 S   O    _O2_    23     1.23120   122.14629  -146.38078
   24    20 S   CT   _CB2    32     1.53587   111.28157   131.50470
   25    24 S   HC   HB21    33     1.09698   109.21529    67.29374
   26    24 S   HC   HB22    34     1.09440   110.95691  -176.28543
   27    22 S   N    _N3_    24     1.38334   114.09160    40.62370
   28    27 S   H    _HN3    25     1.01555   119.69963    -1.47843
   29    24 S   S    _SG2    35     1.83164   115.18811   -51.40873
   30    27 S   CT   _CA3    26     1.45304   122.88318   176.86200
   31    30 S   HC   HA31    27     1.09553   107.32135   -69.16748
   32    30 S   HC   HA32    28     1.09569   108.14603    47.20114
   33    29 S   CT   _C7_    36     1.84830   101.45308   -64.61457
   34    33 S   HC   _H6_    37     1.09468   106.63569    51.19939
   35    30 S   CO3  _C3_    29     1.52889   114.40579   169.49157
   36    35 S   O2Z  _O31    30     1.26319   116.21251     2.60632
   37    35 S   O2Z  _O32    31     1.26480   114.36615  -177.27286
   38    33 S   CT   _C8_    38     1.54628   108.97921   167.62313
   39    38 S   HC   _H7_    39     1.09764   109.99868    57.56600
   40    38 S   CT   _C9_    40     1.54214   111.17799   179.18171
   41    40 S   HC   _H8_    41     1.09597   108.56380  -175.17472
   42    38 S   OS   _O37    78     1.43011   109.20557   -62.39525
   43    40 S   CT   _C4_    42     1.53317   112.17775   -54.01367
   44    43 S   HC   _H3_    43     1.09565   108.37129   172.48900
   45    40 S   OS   _O33    71     1.42957   108.83076    66.93695
   46    42 S   P2   _P2_    79     1.62854   120.36928   147.08358
   47    46 S   O2Z  _O40    80     1.51196   108.96653  -104.08366
   48    46 S   O2Z  _O38    81     1.51005   111.02225    32.20020
   49    43 S   CT   _C5_    44     1.54056   112.41498    52.08057
   50    49 S   HC   _H4_    45     1.09580   108.63270  -172.29444
   51    43 S   OS   _O52    65     1.42520   108.08798   -68.91498
   52    45 S   P1   _P1_    72     1.61285   119.30501   137.79498
   53    52 S   O2Z  _O34    73     1.49861   115.41274    55.37329
   54    46 S   OS   _O39    82     1.63365    97.62968   144.29918
   55    54 S   HO   _H11    83     0.98146   114.93143   -72.15221
   56    33 S   CT   _C6_    46     1.54433   111.44952   -69.24016
   57    56 S   HC   _H5_    47     1.09633   109.33253    62.77924
   58    49 S   OS   _O45    54     1.42458   110.27702    67.77703
   59    51 S   P2   _P6_    66     1.62816   119.11675  -132.66438
   60    59 S   O2Z  _O55    67     1.51058   109.74583   -61.89587
   61    59 S   O2Z  _O53    68     1.51126   109.11916    73.21057
   62    52 S   OS   _O35    74     1.61579   104.53032   -71.37930
   63    62 S   HO   _H9_    75     0.97979   117.03658   167.52258
   64    52 S   OS   _O36    76     1.61339   103.54286  -178.96808
   65    64 S   HO   _H10    77     0.97900   117.83982  -166.31916
   66    56 S   OS   _O41    48     1.42629   109.86552   -57.63642
   67    58 S   P1   _P4_    55     1.61327   120.23779    91.24849
   68    67 S   O2Z  _O46    56     1.49941   115.57367   -59.87668
   69    59 S   OS   _O54    69     1.63072    98.18651  -174.76711
   70    69 S   HO   _H15    70     0.97882   115.89725   -78.65442
   71    66 S   P2   _P3_    49     1.62904   119.44340   138.68212
   72    71 S   O2Z  _O44    50     1.51143   109.16472   -82.25694
   73    71 S   O2Z  _O42    51     1.51078   110.04568    52.85342
   74    67 S   OS   _O47    57     1.61416   103.88067    66.77423
   75    74 S   HO   _H13    58     0.97899   117.81542  -179.83449
   76    67 S   OS   _O48    59     1.61182   102.88506   174.46013
   77    71 S   OS   _O43    52     1.63087    97.96329   165.03061
   78    77 S   HO   _H12    53     0.97989   115.71406   -75.14282
   79    76 S   P2   _P5_    60     1.62470   130.29188   -69.82892
   80    79 S   O2Z  _O51    61     1.51015   109.37214    57.20486
   81    79 S   O2Z  _O49    62     1.51127   109.01426   -77.58340
   82    79 S   OS   _O50    63     1.63012    98.53511   169.45258
   83    82 S   HO   _H14    64     0.97917   115.92964   -81.87591
  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   8   4   1   1   4   3   2   3   1   5   1   1   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    77    58    67  
   66    71    58  
   67    68    74    75    76    79    66  
   60    61    69    70  
   61    69    70  
   69    70  
   63    64    65  
   64  
   65  
    0  
   71    72    73    77    78  
   68    74    75    76    79    80    81    82  
   74    75    76    79  
   70  
    0  
   72    73    77    78  
   73    77    78  
   77    78  
   75    76    79  
   76  
   79    80    81    82    83  
   78  
    0  
   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   1.662500   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  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7400   0.2000   1.565000   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    77   230.000  1.697
   77    78   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    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
   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    77    45.00000  102.60000
   71    77    78    45.00000  108.50000
   73    71    72   140.00000  119.90000
   77    71    72   100.00000  108.23000
   77    71    73   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    79    55.00000  126.09000
   74    67    68   100.00000  115.86100
   76    67    68   100.00000  115.86100
   76    67    74   120.00000  102.38000
   76    79    80   100.00000  108.23000
   76    79    81   100.00000  108.23000
   76    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
   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    77   0.05050  1.0 1.0
   56    66    71    77  -1.30700 -1.0 2.0
   56    66    71    77   0.91550  1.0 3.0
   57    56    66    71   0.03000  1.0 3.0
   66    71    77    78   0.00000  1.0 1.0
   72    71    77    78   0.00000  1.0 1.0
   73    71    77    78   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    79   0.88300  1.0 1.0
   58    67    76    79   0.16450 -1.0 2.0
   58    67    76    79   0.32850  1.0 3.0
   67    76    79    80   0.50000  1.0 3.0
   67    76    79    81   0.50000  1.0 3.0
   67    76    79    82   0.15000  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    76    79   0.50000  1.0 3.0
   74    67    76    79   0.88300  1.0 1.0
   74    67    76    79   0.16450 -1.0 2.0
   74    67    76    79   0.32850  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
   76    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
   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
