* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    28.97013    96.54444   -26.16167
    2     1 S   H    _HN1     2     1.02825    36.51059  -171.05429
    3     1 S   H    _H1_     3     1.02800   124.54928   -98.72695
    4     1 S   H    _H2_     4     1.02944    70.90856     0.87648
    5     1 S   CT   _CA1     5     1.50119   119.82836   104.02711
    6     5 S   HC   _HA1     6     1.09572   105.15735    98.52816
    7     5 S   CO3  _C1_     7     1.53755   112.51882   -21.71219
    8     7 S   O2Z  _O11     8     1.26376   114.99999   -41.70584
    9     7 S   O2Z  _O12     9     1.26235   114.94495   137.35227
   10     5 S   CT   _CB1    10     1.53056   107.42128  -143.45837
   11    10 S   HC   HB11    11     1.09846   109.33386   -49.07336
   12    10 S   HC   HB12    12     1.09811   110.47318    67.51880
   13    10 S   CT   _CG1    13     1.53045   112.65452  -169.98082
   14    13 S   HC   HG11    14     1.09559   110.80748   -68.14734
   15    13 S   HC   HG12    15     1.09665   109.63749    51.11024
   16    13 S   C    _CD1    16     1.51806   111.81243   171.68823
   17    16 S   O    _OE1    17     1.22768   123.07987    16.45637
   18    16 S   N    _N2_    18     1.38644   111.95366  -163.60164
   19    18 S   H    _HN2    19     1.01565   119.05471     0.93712
   20    18 S   CT1  _CA2    20     1.46276   123.35141   175.81971
   21    20 S   HC   _HA2    21     1.09746   109.23327     8.85721
   22    20 S   C    _C2_    22     1.53735   108.81122  -106.52694
   23    22 S   O    _O2_    23     1.23062   122.28261  -149.21201
   24    20 S   CT   _CB2    32     1.53382   111.69567   130.82720
   25    24 S   HC   HB21    33     1.09578   110.14326    56.36779
   26    24 S   HC   HB22    34     1.09380   109.83861   175.35531
   27    22 S   N    _N3_    24     1.38335   113.89971    38.32555
   28    27 S   H    _HN3    25     1.01518   119.65203    -3.00081
   29    24 S   S    _SG2    35     1.82803   111.32120   -64.44296
   30    27 S   CT   _CA3    26     1.45278   123.32189   177.29651
   31    30 S   HC   HA31    27     1.09546   107.50430   -65.18128
   32    30 S   HC   HA32    28     1.09554   108.01989    51.29690
   33    29 S   CT   _C8_    36     1.84288    99.79814   176.12783
   34    33 S   HC   _H7_    37     1.09770   105.37774   -43.71759
   35    30 S   CO3  _C3_    29     1.52992   114.00398   173.30075
   36    35 S   O2Z  _O31    30     1.26396   116.08763    -0.52077
   37    35 S   O2Z  _O32    31     1.26427   114.42230   179.52812
   38    33 S   CT   _C9_    38     1.55079   111.39436  -158.48598
   39    38 S   HC   _H8_    39     1.09664   108.48453    41.77380
   40    38 S   CT   _C4_    40     1.54142   113.75126   -80.34875
   41    40 S   HC   _H3_    41     1.09553   108.62146  -171.13104
   42    38 S   OS   _O33    74     1.43168   105.88110   157.02417
   43    40 S   CT   _C5_    42     1.53890   113.01489   -50.48867
   44    43 S   HC   _H4_    43     1.09558   107.76149   170.77288
   45    40 S   OS   _O52    68     1.42665   108.67399    70.74710
   46    42 S   P2   _P1_    75     1.63131   122.61983  -158.16429
   47    46 S   O2Z  _O35    76     1.51343   107.38453   158.19294
   48    46 S   O2Z  _O34    77     1.51196   109.92516    25.29331
   49    43 S   CT   _C6_    44     1.53800   112.46962    51.26426
   50    49 S   HC   _H5_    45     1.09606   108.64905  -170.19360
   51    43 S   OS   _O48    61     1.42476   108.39402   -72.30341
   52    45 S   P2   _P6_    69     1.62820   119.63321   137.13715
   53    52 S   O2Z  _O55    70     1.51100   109.84466    63.82909
   54    52 S   O2Z  _O53    71     1.51080   109.33380   -71.60370
   55    46 S   OS   _O36    78     1.62294    98.63676   -89.08332
   56    33 S   CT   _C7_    46     1.54513   112.99924    73.85254
   57    56 S   HC   _H6_    47     1.09559   110.02889   -41.89452
   58    49 S   OS   _O44    54     1.42584   109.26580    71.24462
   59    51 S   P1   _P5_    62     1.61310   120.55742  -158.75621
   60    59 S   O2Z  _O49    63     1.49899   116.29169    33.76349
   61    52 S   OS   _O54    72     1.63092    98.16491   176.61864
   62    61 S   HO   _H15    73     0.97865   115.90133    78.55995
   63    55 S   P2   _P2_    79     1.62092   132.05364  -167.43756
   64    63 S   O2Z  _O39    80     1.51156   109.80590    69.37902
   65    63 S   O2Z  _O37    81     1.51104   109.73733   -66.19868
   66    56 S   OS   _O40    48     1.43033   108.14325  -159.46335
   67    58 S   P1   _P4_    55     1.61288   119.44180   108.12779
   68    67 S   O2Z  _O45    56     1.49902   115.23221    59.12795
   69    59 S   OS   _O50    64     1.61246   103.77666   -93.25121
   70    69 S   HO   _H13    65     0.97849   118.50768   172.21081
   71    59 S   OS   _O51    66     1.61522   103.27101   159.83119
   72    71 S   HO   _H14    67     0.97915   117.73375  -176.11577
   73    63 S   OS   _O38    82     1.63192    97.87074  -178.85996
   74    73 S   HO   _H9_    83     0.98013   115.36121   -72.08687
   75    66 S   P2   _P3_    49     1.62874   118.86278   103.93370
   76    75 S   O2Z  _O43    50     1.51147   109.06781    72.96253
   77    75 S   O2Z  _O41    51     1.51147   109.45847   -61.74898
   78    67 S   OS   _O46    57     1.61224   104.19724   -67.64810
   79    78 S   HO   _H11    58     0.97874   118.29591   171.61320
   80    67 S   OS   _O47    59     1.61324   103.33315  -175.23498
   81    80 S   HO   _H12    60     0.97877   117.96911  -170.29473
   82    75 S   OS   _O42    52     1.62981    98.24908  -174.16142
   83    82 S   HO   _H10    53     0.97922   116.01294    74.62428
  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   7   7   3   2
  12   6   8   4   3   2   5   8   3   7   5   4   1   1   4   3
   2   5   5   4   3   1   1   1   1   1   4   3   2   3   1   1
   1   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    75    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    55  
   40    41    43    56    45    42    46  
   41    43    44    49    50    56    58    51    59    45    52    53    54    61    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    63    43    45    56  
   44    49    50    56    57    66    58    67    51    59    60    69    71    45    52  
   49    50    56    58    51    59    45  
   52    53    54    61    62    49    51  
   47    48    55    63    64    65    73  
   48    55    63  
   55    63  
   50    56    57    66    75    58    67    68    78    80    51    59  
   56    57    66    58    67    51  
   59    60    69    70    71    72    56    58  
   53    54    61    62  
   54    61    62  
   61    62  
   63    64    65    73    74  
   57    66    75    76    77    82    58    67  
   66    75    58  
   67    68    78    79    80    81    66  
   60    69    70    71    72  
   69    70    71    72  
   62  
    0  
   64    65    73    74  
   65    73    74  
   73    74  
   75    76    77    82    83  
   68    78    79    80    81  
   78    79    80    81  
   70    71    72  
   71  
   72  
    0  
   74  
    0  
   76    77    82    83  
   77    82    83  
   82    83  
   79    80    81  
   80  
   81  
    0  
   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   0.140000   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  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   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   1.361100   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  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   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   1.230700   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   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  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   76   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   78   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   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    75   230.000  1.697
   75    76   525.000  1.480
   75    77   525.000  1.480
   75    82   230.000  1.697
   82    83   553.000  0.945
   58    67   405.000  1.623
   67    68   675.000  1.490
   67    78   405.000  1.623
   67    80   405.000  1.623
   78    79   553.000  0.945
   80    81   553.000  0.945
   51    59   405.000  1.623
   59    60   675.000  1.490
   59    69   405.000  1.623
   59    71   405.000  1.623
   69    70   553.000  0.945
   71    72   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    61   230.000  1.697
   61    62   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    73   230.000  1.697
   73    74   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   100.00000  120.50000
   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    75.00000  119.24600
   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    75   100.00000  120.50000
   66    56    57    35.00000  109.50000
   66    75    76   100.00000  108.23000
   66    75    77   100.00000  108.23000
   66    75    82    45.00000  102.60000
   75    82    83    45.00000  108.50000
   77    75    76   140.00000  119.90000
   82    75    76   100.00000  108.23000
   82    75    77   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    78   120.00000  102.38000
   58    67    80   120.00000  102.38000
   67    78    79    50.00000  113.86100
   67    80    81    50.00000  113.86100
   78    67    68   100.00000  115.86100
   80    67    68   100.00000  115.86100
   80    67    78   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  115.86100
   51    59    69   120.00000  102.38000
   51    59    71   120.00000  102.38000
   59    69    70    50.00000  113.86100
   59    71    72    50.00000  113.86100
   69    59    60   100.00000  115.86100
   71    59    60   100.00000  115.86100
   71    59    69   120.00000  102.38000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    61    45.00000  102.60000
   52    61    62    45.00000  108.50000
   54    52    53   140.00000  119.90000
   61    52    53   100.00000  108.23000
   61    52    54   100.00000  108.23000
   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    55    45.00000  102.60000
   46    55    63    50.00000  132.62000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
   55    63    64   100.00000  108.23000
   55    63    65   100.00000  108.23000
   55    63    73    45.00000  102.60000
   63    73    74    45.00000  108.50000
   65    63    64   140.00000  119.90000
   73    63    64   100.00000  108.23000
   73    63    65   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    75  -2.65550  1.0 1.0
   33    56    66    75  -0.22350 -1.0 2.0
   33    56    66    75   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    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   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    54   0.00000  1.0 1.0
   40    45    52    61   0.05050  1.0 1.0
   40    45    52    61  -1.30700 -1.0 2.0
   40    45    52    61   0.91550  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    69   0.91800  1.0 1.0
   43    51    59    69   0.22900 -1.0 2.0
   43    51    59    69   0.32050  1.0 3.0
   43    51    59    71   0.91800  1.0 1.0
   43    51    59    71   0.22900 -1.0 2.0
   43    51    59    71   0.32050  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    75  -2.65550  1.0 1.0
   49    56    66    75  -0.22350 -1.0 2.0
   49    56    66    75   0.24150  1.0 3.0
   49    58    67    68   0.00000  1.0 1.0
   49    58    67    78   0.91800  1.0 1.0
   49    58    67    78   0.22900 -1.0 2.0
   49    58    67    78   0.32050  1.0 3.0
   49    58    67    80   0.91800  1.0 1.0
   49    58    67    80   0.22900 -1.0 2.0
   49    58    67    80   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    75    76   0.00000  1.0 1.0
   56    66    75    77   0.00000  1.0 1.0
   56    66    75    82   0.05050  1.0 1.0
   56    66    75    82  -1.30700 -1.0 2.0
   56    66    75    82   0.91550  1.0 3.0
   57    56    66    75   0.03000  1.0 3.0
   66    75    82    83   0.00000  1.0 1.0
   76    75    82    83   0.00000  1.0 1.0
   77    75    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    78    79  -0.22900  1.0 1.0
   58    67    78    79   0.09450 -1.0 2.0
   58    67    78    79  -0.07800  1.0 3.0
   58    67    80    81  -0.22900  1.0 1.0
   58    67    80    81   0.09450 -1.0 2.0
   58    67    80    81  -0.07800  1.0 3.0
   68    67    78    79   0.00000  1.0 1.0
   68    67    80    81   0.00000  1.0 1.0
   78    67    80    81  -0.22900  1.0 1.0
   78    67    80    81   0.09450 -1.0 2.0
   78    67    80    81  -0.07800  1.0 3.0
   80    67    78    79  -0.22900  1.0 1.0
   80    67    78    79   0.09450 -1.0 2.0
   80    67    78    79  -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  -0.22900  1.0 1.0
   51    59    69    70   0.09450 -1.0 2.0
   51    59    69    70  -0.07800  1.0 3.0
   51    59    71    72  -0.22900  1.0 1.0
   51    59    71    72   0.09450 -1.0 2.0
   51    59    71    72  -0.07800  1.0 3.0
   60    59    69    70   0.00000  1.0 1.0
   60    59    71    72   0.00000  1.0 1.0
   69    59    71    72  -0.22900  1.0 1.0
   69    59    71    72   0.09450 -1.0 2.0
   69    59    71    72  -0.07800  1.0 3.0
   71    59    69    70  -0.22900  1.0 1.0
   71    59    69    70   0.09450 -1.0 2.0
   71    59    69    70  -0.07800  1.0 3.0
   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    61    62   0.00000  1.0 1.0
   53    52    61    62   0.00000  1.0 1.0
   54    52    61    62   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    55    63   0.15000  1.0 3.0
   46    55    63    64   0.50000  1.0 3.0
   46    55    63    65   0.50000  1.0 3.0
   46    55    63    73   0.15000  1.0 3.0
   47    46    55    63   0.50000  1.0 3.0
   48    46    55    63   0.50000  1.0 3.0
   55    63    73    74   0.00000  1.0 1.0
   64    63    73    74   0.00000  1.0 1.0
   65    63    73    74   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
