* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    29.23458    92.28206   -19.45395
    2     1 S   H    _HN1     2     1.02975   112.96294    58.94848
    3     1 S   H    _H1_     3     1.02812    16.00946   130.48449
    4     1 S   H    _H2_     4     1.02760    92.03881   -51.96052
    5     1 S   CT   _CA1     5     1.50238   119.48086  -168.99711
    6     5 S   HC   _HA1     6     1.09606   105.05368    44.36723
    7     5 S   CO3  _C1_     7     1.53847   112.23524   -74.98717
    8     7 S   O2Z  _O11     8     1.26416   115.24605   -43.39488
    9     7 S   O2Z  _O12     9     1.26274   114.84067   135.11499
   10     5 S   CT   _CB1    10     1.53049   107.14193   161.50786
   11    10 S   HC   HB11    11     1.09823   108.97026   -54.23351
   12    10 S   HC   HB12    12     1.09671   110.39247    61.54506
   13    10 S   CT   _CG1    13     1.52974   113.08029  -175.72511
   14    13 S   HC   HG11    14     1.09410   110.45238   -64.04636
   15    13 S   HC   HG12    15     1.09632   110.45836    54.37734
   16    13 S   C    _CD1    16     1.51829   110.86016   172.94637
   17    16 S   O    _OE1    17     1.22946   121.67062   -54.46255
   18    16 S   N    _N2_    18     1.38314   113.41447   126.84442
   19    18 S   H    _HN2    19     1.01930   119.36639    -1.90824
   20    18 S   CT1  _CA2    20     1.46256   123.64445   178.18006
   21    20 S   HC   _HA2    21     1.09737   109.29770     2.21558
   22    20 S   C    _C2_    22     1.53612   108.94706  -113.36360
   23    22 S   O    _O2_    23     1.23095   122.10042  -147.95228
   24    20 S   CT   _CB2    32     1.53535   111.63413   124.14248
   25    24 S   HC   HB21    33     1.09456   109.45592    55.57894
   26    24 S   HC   HB22    34     1.09499   110.30531   174.70872
   27    22 S   N    _N3_    24     1.38482   113.81605    39.87888
   28    27 S   H    _HN3    25     1.01468   118.96835    -1.31997
   29    24 S   S    _SG2    35     1.82533   111.57698   -65.33007
   30    27 S   CT   _CA3    26     1.45431   123.33981   175.34823
   31    30 S   HC   HA31    27     1.09537   109.04927    28.00443
   32    30 S   HC   HA32    28     1.09496   107.15796   144.89889
   33    29 S   CT   _C7_    36     1.84710   100.78441  -172.31357
   34    33 S   HC   _H6_    37     1.09745   105.51318    62.94505
   35    30 S   CO3  _C3_    29     1.52928   113.29110   -95.40269
   36    35 S   O2Z  _O31    30     1.26397   115.48058   -45.24791
   37    35 S   O2Z  _O32    31     1.26381   114.98463   135.79130
   38    33 S   CT   _C8_    38     1.55134   109.01903   178.29613
   39    38 S   HC   _H7_    39     1.09654   108.22015   -58.31475
   40    38 S   CT   _C9_    40     1.54313   111.05407  -177.95091
   41    40 S   HC   _H8_    41     1.09579   109.51973  -173.70752
   42    38 S   OS   _O37    77     1.42615   110.53570    60.83660
   43    40 S   CT   _C4_    42     1.53920   112.55518   -53.19902
   44    43 S   HC   _H3_    43     1.09555   109.06352   171.61627
   45    40 S   OS   _O33    71     1.42838   108.96777    66.39147
   46    42 S   P1   _P2_    78     1.61242   119.74993  -145.09129
   47    46 S   O2Z  _O38    79     1.49895   115.66454   -56.41009
   48    43 S   CT   _C5_    44     1.53691   110.75881    52.87380
   49    48 S   HC   _H4_    45     1.09777   108.19145    63.79253
   50    43 S   OS   _O52    65     1.42578   109.44195   -69.04768
   51    45 S   P2   _P1_    72     1.62991   119.29809    94.68882
   52    51 S   O2Z  _O36    73     1.51095   109.73663   -68.48835
   53    51 S   O2Z  _O34    74     1.51072   109.49394    66.96631
   54    46 S   OS   _O39    80     1.61344   103.59384   177.88419
   55    54 S   HO   _H10    81     0.97849   117.89455   164.81957
   56    46 S   OS   _O40    82     1.61383   104.53905    70.30945
   57    56 S   HO   _H11    83     0.97865   117.75372  -168.97982
   58    33 S   CT   _C6_    46     1.54514   113.91853   -55.46726
   59    58 S   HC   _H5_    47     1.09483   109.79515    62.26375
   60    48 S   OS   _O48    59     1.42423   110.75203  -178.28582
   61    50 S   P2   _P6_    66     1.63108   120.09493  -110.15702
   62    61 S   O2Z  _O55    67     1.51168   110.04287    40.97518
   63    61 S   O2Z  _O53    68     1.51258   108.50228   174.78049
   64    51 S   OS   _O35    75     1.63084    98.13475   178.82181
   65    64 S   HO   _H9_    76     0.97884   115.88485   -79.58721
   66    58 S   OS   _O41    48     1.42622   109.92156   -56.79562
   67    60 S   P2   _P5_    60     1.62888   119.54567   -89.58745
   68    67 S   O2Z  _O51    61     1.51193   109.26459    73.73070
   69    67 S   O2Z  _O49    62     1.51120   109.67236   -61.51886
   70    61 S   OS   _O54    69     1.62984    99.34526   -72.58432
   71    70 S   HO   _H15    70     0.98361   117.09864    71.83353
   72    66 S   P1   _P3_    49     1.61534   120.52049   154.47907
   73    72 S   O2Z  _O42    50     1.50101   116.31335   -19.20534
   74    67 S   OS   _O50    63     1.63020    98.45774  -174.12263
   75    74 S   HO   _H14    64     0.97835   116.26949  -176.17039
   76    72 S   OS   _O43    51     1.61508   103.41523   106.59175
   77    76 S   HO   _H12    52     0.97823   117.88446  -166.00047
   78    72 S   OS   _O44    53     1.61275   104.42164  -146.52854
   79    78 S   P2   _P4_    54     1.62447   129.13674    62.00326
   80    79 S   O2Z  _O47    55     1.50988   108.37861   -83.11361
   81    79 S   O2Z  _O45    56     1.51089   110.41903    51.29976
   82    79 S   OS   _O46    57     1.62877    99.19193   165.06890
   83    82 S   HO   _H13    58     0.98282   115.97416   108.92429
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  17   7  16   7   9  15   7   7   5   4  12
   6   7   4   3   2   3   1   1   1   8   3   6   4   3   2   1
   1   6   4   3   2   1   1   8   4   1   1   3   1   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    58    59    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    58    59    66    72    60    45    42    46  
   38    39    40    48    58    59    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    48    58    59    66    50    45    51    42    46    47    54    56  
   40    41    43    58    45    42    46  
   41    43    44    48    49    58    60    50    61    45    51    52    53    64    42    46  
   43    44    48    50    45    51    42  
   46    47    54    55    56    57    43    45    58  
   44    48    49    58    59    66    60    67    50    61    62    63    70    45    51  
   48    49    58    60    50    61    45  
   51    52    53    64    65    48    50  
   47    54    55    56    57  
   54    55    56    57  
   49    58    59    66    72    60    67    68    69    74    50    61  
   58    59    66    60    67    50  
   61    62    63    70    71    58    60  
   52    53    64    65  
   53    64    65  
   64    65  
   55    56    57  
   56  
   57  
    0  
   59    66    72    73    76    78    60    67  
   66    72    60  
   67    68    69    74    75    66  
   62    63    70    71  
   63    70    71  
   70    71  
   65  
    0  
   72    73    76    77    78    79  
   68    69    74    75  
   69    74    75  
   74    75  
   71  
    0  
   73    76    77    78    79    80    81    82  
   76    77    78    79  
   75  
    0  
   77    78    79  
   78  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   73   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   74   2.8500   0.1400  -0.692500   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  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    58   268.000  1.529
   48    60   320.000  1.410
   58    59   340.000  1.090
   58    66   320.000  1.410
   66    72   405.000  1.623
   72    73   675.000  1.490
   72    76   405.000  1.623
   72    78   405.000  1.623
   76    77   553.000  0.945
   78    79   230.000  1.697
   79    80   525.000  1.480
   79    81   525.000  1.480
   79    82   230.000  1.697
   82    83   553.000  0.945
   60    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    74   230.000  1.697
   74    75   553.000  0.945
   50    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    70   230.000  1.697
   70    71   553.000  0.945
   45    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    64   230.000  1.697
   64    65   553.000  0.945
   42    46   405.000  1.623
   46    47   675.000  1.490
   46    54   405.000  1.623
   46    56   405.000  1.623
   54    55   553.000  0.945
   56    57   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    66    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    58.35000  112.70000
   40    43    50    50.00000  109.50000
   40    45    51   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    58    58.35000  112.70000
   43    48    60    50.00000  109.50000
   43    50    61   100.00000  120.50000
   48    43    44    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    66    50.00000  109.50000
   48    60    67   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    66    72    75.00000  119.24600
   66    58    59    35.00000  109.50000
   66    72    73   100.00000  115.86100
   66    72    76   120.00000  102.38000
   66    72    78   120.00000  102.38000
   72    76    77    50.00000  113.86100
   72    78    79    55.00000  126.09000
   76    72    73   100.00000  115.86100
   78    72    73   100.00000  115.86100
   78    72    76   120.00000  102.38000
   78    79    80   100.00000  108.23000
   78    79    81   100.00000  108.23000
   78    79    82    45.00000  102.60000
   79    82    83    45.00000  108.50000
   81    79    80   140.00000  119.90000
   82    79    80   100.00000  108.23000
   82    79    81   100.00000  108.23000
   60    48    49    35.00000  109.50000
   60    48    58    50.00000  109.50000
   60    67    68   100.00000  108.23000
   60    67    69   100.00000  108.23000
   60    67    74    45.00000  102.60000
   67    74    75    45.00000  108.50000
   69    67    68   140.00000  119.90000
   74    67    68   100.00000  108.23000
   74    67    69   100.00000  108.23000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   50    61    62   100.00000  108.23000
   50    61    63   100.00000  108.23000
   50    61    70    45.00000  102.60000
   61    70    71    45.00000  108.50000
   63    61    62   140.00000  119.90000
   70    61    62   100.00000  108.23000
   70    61    63   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    51    52   100.00000  108.23000
   45    51    53   100.00000  108.23000
   45    51    64    45.00000  102.60000
   51    64    65    45.00000  108.50000
   53    51    52   140.00000  119.90000
   64    51    52   100.00000  108.23000
   64    51    53   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  115.86100
   42    46    54   120.00000  102.38000
   42    46    56   120.00000  102.38000
   46    54    55    50.00000  113.86100
   46    56    57    50.00000  113.86100
   54    46    47   100.00000  115.86100
   56    46    47   100.00000  115.86100
   56    46    54   120.00000  102.38000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    66   0.56750  1.0 1.0
   29    33    58    66  -0.07550 -1.0 2.0
   29    33    58    66   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    66    72  -2.65550  1.0 1.0
   33    58    66    72  -0.22350 -1.0 2.0
   33    58    66    72   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    66   0.23400  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    66   0.62750  1.0 1.0
   38    33    58    66  -0.30950 -1.0 2.0
   38    33    58    66   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    48   0.56750  1.0 1.0
   38    40   -43    48  -0.07550 -1.0 2.0
   38    40   -43    48   0.20000  1.0 3.0
   38    40    43    50   0.62750  1.0 1.0
   38    40    43    50  -0.30950 -1.0 2.0
   38    40    43    50   0.27300  1.0 3.0
   38    40    45    51  -2.65550  1.0 1.0
   38    40    45    51  -0.22350 -1.0 2.0
   38    40    45    51   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    54   0.91800  1.0 1.0
   38    42    46    54   0.22900 -1.0 2.0
   38    42    46    54   0.32050  1.0 3.0
   38    42    46    56   0.91800  1.0 1.0
   38    42    46    56   0.22900 -1.0 2.0
   38    42    46    56   0.32050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    58   0.56750  1.0 1.0
   40    43    48    58  -0.07550 -1.0 2.0
   40    43    48    58   0.20000  1.0 3.0
   40    43    48    60   0.62750  1.0 1.0
   40    43    48    60  -0.30950 -1.0 2.0
   40    43    48    60   0.27300  1.0 3.0
   40    43    50    61  -2.65550  1.0 1.0
   40    43    50    61  -0.22350 -1.0 2.0
   40    43    50    61   0.24150  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    64   0.05050  1.0 1.0
   40    45    51    64  -1.30700 -1.0 2.0
   40    45    51    64   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    51   0.03000  1.0 3.0
   43    40    45    51  -2.65550  1.0 1.0
   43    40    45    51  -0.22350 -1.0 2.0
   43    40    45    51   0.24150  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    66   0.62750  1.0 1.0
   43    48    58    66  -0.30950 -1.0 2.0
   43    48    58    66   0.27300  1.0 3.0
   43    48    60    67  -2.65550  1.0 1.0
   43    48    60    67  -0.22350 -1.0 2.0
   43    48    60    67   0.24150  1.0 3.0
   43    50    61    62   0.00000  1.0 1.0
   43    50    61    63   0.00000  1.0 1.0
   43    50    61    70   0.05050  1.0 1.0
   43    50    61    70  -1.30700 -1.0 2.0
   43    50    61    70   0.91550  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   44    43    48    60   0.23400  1.0 3.0
   44    43    50    61   0.03000  1.0 3.0
   48    43    50    61  -2.65550  1.0 1.0
   48    43    50    61  -0.22350 -1.0 2.0
   48    43    50    61   0.24150  1.0 3.0
   48    58    66    72  -2.65550  1.0 1.0
   48    58    66    72  -0.22350 -1.0 2.0
   48    58    66    72   0.24150  1.0 3.0
   48    60    67    68   0.00000  1.0 1.0
   48    60    67    69   0.00000  1.0 1.0
   48    60    67    74   0.05050  1.0 1.0
   48    60    67    74  -1.30700 -1.0 2.0
   48    60    67    74   0.91550  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    66   0.23400  1.0 3.0
   49    48    60    67   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    48    60    67  -2.65550  1.0 1.0
   58    48    60    67  -0.22350 -1.0 2.0
   58    48    60    67   0.24150  1.0 3.0
   58    66    72    73   0.00000  1.0 1.0
   58    66    72    76   0.91800  1.0 1.0
   58    66    72    76   0.22900 -1.0 2.0
   58    66    72    76   0.32050  1.0 3.0
   58    66    72    78   0.91800  1.0 1.0
   58    66    72    78   0.22900 -1.0 2.0
   58    66    72    78   0.32050  1.0 3.0
   59    58    66    72   0.03000  1.0 3.0
   66    72    76    77  -0.22900  1.0 1.0
   66    72    76    77   0.09450 -1.0 2.0
   66    72    76    77  -0.07800  1.0 3.0
   66    72    78    79   0.88300  1.0 1.0
   66    72    78    79   0.16450 -1.0 2.0
   66    72    78    79   0.32850  1.0 3.0
   72    78    79    80   0.50000  1.0 3.0
   72    78    79    81   0.50000  1.0 3.0
   72    78    79    82   0.15000  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    78    79   0.50000  1.0 3.0
   76    72    78    79   0.88300  1.0 1.0
   76    72    78    79   0.16450 -1.0 2.0
   76    72    78    79   0.32850  1.0 3.0
   78    72    76    77  -0.22900  1.0 1.0
   78    72    76    77   0.09450 -1.0 2.0
   78    72    76    77  -0.07800  1.0 3.0
   78    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   60    48    58    33   0.62750  1.0 1.0
   60    48    58    33  -0.30950 -1.0 2.0
   60    48    58    33   0.27300  1.0 3.0
   60    48    58    59   0.23400  1.0 3.0
   60    48    58    66   1.11900  1.0 1.0
   60    48    58    66  -1.16350 -1.0 2.0
   60    48    58    66  -0.34150  1.0 3.0
   60    67    74    75   0.00000  1.0 1.0
   68    67    74    75   0.00000  1.0 1.0
   69    67    74    75   0.00000  1.0 1.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    58   0.62750  1.0 1.0
   50    43    48    58  -0.30950 -1.0 2.0
   50    43    48    58   0.27300  1.0 3.0
   50    43    48    60   1.11900  1.0 1.0
   50    43    48    60  -1.16350 -1.0 2.0
   50    43    48    60  -0.34150  1.0 3.0
   50    61    70    71   0.00000  1.0 1.0
   62    61    70    71   0.00000  1.0 1.0
   63    61    70    71   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    48   0.62750  1.0 1.0
   45    40    43    48  -0.30950 -1.0 2.0
   45    40    43    48   0.27300  1.0 3.0
   45    40    43    50   1.11900  1.0 1.0
   45    40    43    50  -1.16350 -1.0 2.0
   45    40    43    50  -0.34150  1.0 3.0
   45    51    64    65   0.00000  1.0 1.0
   52    51    64    65   0.00000  1.0 1.0
   53    51    64    65   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    54    55  -0.22900  1.0 1.0
   42    46    54    55   0.09450 -1.0 2.0
   42    46    54    55  -0.07800  1.0 3.0
   42    46    56    57  -0.22900  1.0 1.0
   42    46    56    57   0.09450 -1.0 2.0
   42    46    56    57  -0.07800  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    56    57   0.00000  1.0 1.0
   54    46    56    57  -0.22900  1.0 1.0
   54    46    56    57   0.09450 -1.0 2.0
   54    46    56    57  -0.07800  1.0 3.0
   56    46    54    55  -0.22900  1.0 1.0
   56    46    54    55   0.09450 -1.0 2.0
   56    46    54    55  -0.07800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
