* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    151    234     441
    1     0 S   NP   _N1_     1    29.60096   100.57649   -16.93379
    2     1 S   H    _HN1     2     1.02875    45.77155   -22.21113
    3     1 S   H    _H1_     3     1.02937    67.98053   125.25823
    4     1 S   H    _H2_     4     1.02799    98.73307  -129.09051
    5     1 S   CT   _CA1     5     1.50457   147.41253    31.86116
    6     5 S   HC   _HA1     6     1.09699   104.67834   142.95944
    7     5 S   CO3  _C1_     7     1.54238   110.75754    26.69465
    8     7 S   O2Z  _O11     8     1.26022   116.48971  -107.06174
    9     7 S   O2Z  _O12     9     1.26524   113.84877    71.35383
   10     5 S   CT   _CB1    10     1.53119   107.03244  -101.15187
   11    10 S   HC   HB11    11     1.09848   109.60260   -45.73236
   12    10 S   HC   HB12    12     1.09770   110.48118    70.85781
   13    10 S   CT   _CG1    13     1.53060   112.38559  -166.30038
   14    13 S   HC   HG11    14     1.09522   110.94016   -63.65507
   15    13 S   HC   HG12    15     1.09668   109.68952    55.49899
   16    13 S   C    _CD1    16     1.51829   112.11180   175.83012
   17    16 S   O    _OE1    17     1.22770   123.24825     8.44025
   18    16 S   N    _N2_    18     1.38510   111.82698  -171.79340
   19    18 S   H    _HN2    19     1.01519   119.18335     3.21028
   20    18 S   CT1  _CA2    20     1.45906   122.81049   178.28149
   21    20 S   HC   _HA2    21     1.09726   108.74073    29.47846
   22    20 S   C    _C2_    22     1.52949   106.97976   -87.73260
   23    22 S   O    _O2_    23     1.22997   123.04176   -27.78833
   24    20 S   CT   _CB2    32     1.53188   112.20021   152.73481
   25    24 S   HC   HB21    33     1.09371   109.54684    56.81196
   26    24 S   HC   HB22    34     1.09530   110.19378   175.17456
   27    22 S   N    _N3_    24     1.38502   112.59406   154.75642
   28    27 S   H    _HN3    25     1.01655   120.33263    -1.47432
   29    24 S   S    _SG2    35     1.83053   110.76580   -65.05729
   30    27 S   CT   _CA3    26     1.45346   122.42988   178.74135
   31    30 S   HC   HA31    27     1.09568   107.65226   -59.07998
   32    30 S   HC   HA32    28     1.09568   107.73985    57.21674
   33    29 S   CT   _C19    36     1.84767   101.68763   160.63204
   34    33 S   OM   _O37    37     1.31808   111.36894    54.79332
   35    30 S   CO3  _C3_    29     1.52881   114.40708   179.09648
   36    35 S   O2Z  _O31    30     1.26328   116.10577    -0.69802
   37    35 S   O2Z  _O32    31     1.26453   114.39682   179.32856
   38    33 S   CO4  _C20    38     1.53083   109.79049   -63.72444
   39    38 S   O    _O36    39     1.22943   125.76994   112.51458
   40    38 S   CA   _C6_    40     1.47586   115.72163   -68.53464
   41    40 S   CA   _C7_    41     1.41558   115.34097   -38.27918
   42    41 S   CA   _C8_    42     1.41236   116.18556   179.91153
   43    41 S   CMA  _C17    70     1.53155   121.56798    -0.43611
   44    43 S   OM   _O38    71     1.26924   118.03279  -157.24567
   45    42 S   CA   _C9_    43     1.38628   120.14804     2.27813
   46    42 S   OH   _O35    68     1.37014   123.59820  -177.88224
   47    46 S   HO   _H16    69     0.97535   107.27270    -4.53605
   48    33 S   CM   _C18    72     1.54312   108.37812   177.94662
   49    45 S   CA   _C10    44     1.39210   123.03129    -2.06999
   50    48 S   CT   _C21    73     1.56267   115.74129   -85.31979
   51    50 S   HC   _H17    74     1.09762   108.25612    12.08517
   52    40 S   CA   _C5_    45     1.42695   120.87940   140.74731
   53    49 S   CT   _C11    50     1.51350   107.98652  -178.19268
   54    50 S   CT   _C22    75     1.53690   114.49950   126.55435
   55    54 S   HC   _H18    76     1.09359   112.84058    77.01095
   56    54 S   HC   _H19    77     1.09527   111.14395   -45.21886
   57    54 S   HC   _H20    78     1.09628   109.92097  -164.09299
   58    50 S   CT   _C23    79     1.53285   112.65872  -105.39308
   59    58 S   HC   _H21    80     1.09433   112.16157   -69.56902
   60    58 S   HC   _H22    81     1.09572   110.28845   170.86378
   61    58 S   HC   _H23    82     1.09490   111.40967    51.48091
   62    52 S   CT   _C4_    46     1.50240   121.80872    -3.45910
   63    62 S   HC   _H4_    47     1.09387   110.31096    92.56955
   64    62 S   HC   _H5_    48     1.09218   111.44150  -145.63321
   65    62 S   HC   _H6_    49     1.09260   112.19426   -29.28075
   66    53 S   CO   _C12    51     1.55908    97.78614   -17.58575
   67    66 S   HC   _H3_    52     1.09660   111.16230   148.12947
   68    53 S   CT   _C13    56     1.54299   108.55917    96.08278
   69    68 S   HC   _H8_    57     1.09498   111.44890  -168.28382
   70    68 S   HC   _H9_    58     1.09461   111.59742    71.45628
   71    68 S   HC   _H10    59     1.09637   111.84160   -48.52494
   72    53 S   CT   _C14    60     1.54884   115.33766  -137.54669
   73    72 S   HC   _H11    61     1.09842   109.84062    45.35100
   74    72 S   HC   _H12    62     1.09481   110.30776   -70.26930
   75    45 S   OS   _O33    53     1.37611   123.11876   179.27288
   76    66 S   OH   _O34    54     1.42795   112.04864   -91.26425
   77    76 S   HO   _H7_    55     0.97180   106.60440  -160.66928
   78    72 S   CM   _C15    63     1.50659   114.73626   170.12438
   79    78 S   HC   _H13    64     1.08676   117.58588    62.65558
   80    78 S   CM   _C16    65     1.33806   124.04933  -119.06753
   81    80 S   HC   _H14    66     1.08464   120.52686  -179.16961
   82    80 S   HC   _H15    67     1.08461   121.52327     0.99249
  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   8   5   4   3
  13   6   2   1   1  10   4  14  12  11   9   2  12   3   1  10
  18   9   8   9  16   7   3   2   1   3   2   1   1   3   2   1
   1  12   5   9   3   2   1   9   4   3   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    48    50    51    54    58  
   38    39    40    43    48    50  
   36    37  
   37  
    0  
   39    40    41    42    49    52    62    43    48    50  
   40    41    52    48  
   41    42    45    49    52    62    63    64    65    53    46    43    44    48  
   42    45    49    52    62    75    46    47    43    44    48    50  
   45    49    52    53    66    75    46    47    43    44    48  
   44    48    50    51    54    58    45    46    52  
   48    50  
   49    52    62    53    66    67    75    76    68    72    46    47  
   47    49    75  
    0  
   50    51    54    55    56    57    58    59    60    61  
   52    62    63    64    65    53    66    67    75    76    68    69    70    71    72    73    74    78  
   51    54    55    56    57    58    59    60    61  
   54    55    56    57    58    59    60    61  
   62    63    64    65    53    66    75    68    72  
   66    67    75    76    77    68    69    70    71    72    73    74    78    79    80    62  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    75    76    77    68    69    70    71    72    73    74    78  
   75    76    77    68    72  
   69    70    71    72    73    74    78    75    76  
   70    71    72  
   71    72  
   72  
   73    74    78    79    80    81    82    75    76  
   74    78    79    80  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
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   570.000  1.307
   33    38   317.000  1.522
   33    48   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    52   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    49   469.000  1.400
   45    75   450.000  1.364
   49    52   469.000  1.400
   49    53   317.000  1.510
   52    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    66   250.000  1.527
   53    68   268.000  1.529
   53    72   268.000  1.529
   66    67   340.000  1.090
   66    75   320.000  1.380
   66    76   380.000  1.407
   76    77   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   340.000  1.080
   80    82   340.000  1.080
   46    47   553.000  0.945
   43    44   745.000  1.250
   43    48   465.000  1.376
   48    50   317.000  1.510
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    70.00000  124.00000
   33    48    50    65.00000  117.92700
   38    33    34    90.00000  108.74100
   38    40    41    60.00000  119.52600
   38    40    52    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    52    49    63.00000  120.00000
   40    52    62    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    48    60.00000  123.20500
   42    45    49    63.00000  120.00000
   42    45    75    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    49    52    63.00000  120.00000
   45    49    53    70.00000  120.00000
   45    75    66   100.00000  112.36700
   49    52    62    70.00000  120.00000
   49    53    66    70.00000  112.17500
   49    53    68    70.00000  112.17500
   49    53    72    70.00000  112.17500
   52    40    41    63.00000  120.00000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    49    52    70.00000  120.00000
   53    66    67    45.00000  112.01100
   53    66    75    90.00000  108.56700
   53    66    76    90.00000  110.19100
   53    68    69    37.50000  110.70000
   53    68    70    37.50000  110.70000
   53    68    71    37.50000  110.70000
   53    72    73    37.50000  110.70000
   53    72    74    37.50000  110.70000
   53    72    78    70.00000  112.02700
   66    76    77    70.00000  107.92000
   75    45    49    70.00000  120.00000
   75    66    67    35.00000  109.50000
   76    66    67    60.00000  108.02500
   76    66    75   110.00000  112.08000
   68    53    66    75.00000  109.43000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    53    66    75.00000  109.43000
   72    53    68    58.35000  112.70000
   72    78    79    35.00000  117.00000
   72    78    80    70.00000  124.00000
   74    72    73    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   78    80    81    35.00000  120.00000
   78    80    82    35.00000  120.00000
   80    78    79    35.00000  120.00000
   82    80    81    35.00000  117.00000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    48    50    70.00000  124.00000
   48    33    34    85.00000  110.90400
   48    33    38    70.00000  109.06800
   48    43    44    65.00000  137.10300
   48    50    51    35.00000  109.50000
   48    50    54    70.00000  112.02700
   48    50    58    70.00000  112.02700
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    50   0.30250  1.0 1.0
   29    33    48    50  -0.14950 -1.0 2.0
   29    33    48    50   0.36900  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    52   2.26350  1.0 1.0
   33    38    40    52   0.76750 -1.0 2.0
   33    38    40    52   0.22500  1.0 3.0
   33    48    50    51   0.34800  1.0 3.0
   33    48    50    54   0.46850  1.0 1.0
   33    48    50    54   0.08550 -1.0 2.0
   33    48    50    54   0.09800  1.0 3.0
   33    48    50    58   0.46850  1.0 1.0
   33    48    50    58   0.08550 -1.0 2.0
   33    48    50    58   0.09800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    48    43   0.39000  1.0 1.0
   34    33    48    43  -0.05800 -1.0 2.0
   34    33    48    43  -0.55150  1.0 3.0
   34    33    48    50   0.09700  1.0 1.0
   34    33    48    50   0.15600 -1.0 2.0
   34    33    48    50  -0.50800  1.0 3.0
   38    33    48    43  -0.51250  1.0 1.0
   38    33    48    43  -0.88800 -1.0 2.0
   38    33    48    43   0.08850  1.0 3.0
   38    33    48    50   0.17250  1.0 1.0
   38    33    48    50  -0.04100 -1.0 2.0
   38    33    48    50  -0.33850  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    52    49   3.62500 -1.0 2.0
   38    40    52    62   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    52   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    48   0.15800  1.0 1.0
   40    41    43    48   1.85350 -1.0 2.0
   40    41    43    48  -0.48700  1.0 3.0
   40    52    62    63   0.00000  1.0 1.0
   40    52    62    64   0.00000  1.0 1.0
   40    52    62    65   0.00000  1.0 1.0
   41    40    52    49   3.62500 -1.0 2.0
   41    40    52    62   3.62500 -1.0 2.0
   41    42   -45    49   3.62500 -1.0 2.0
   41    42    45    75   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   7.00000 -1.0 2.0
   41    43    48    50   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    48   0.15800  1.0 1.0
   42    41    43    48   1.85350 -1.0 2.0
   42    41    43    48  -0.48700  1.0 3.0
   42    45    49    52   3.62500 -1.0 2.0
   42    45    49    53   3.62500 -1.0 2.0
   42    45    75    66   1.63200 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    49   -52    40   3.62500 -1.0 2.0
   45    49    52    62   3.62500 -1.0 2.0
   45    49   -53    66   0.04150 -1.0 2.0
   45    49    53    68   0.04150 -1.0 2.0
   45    49    53    72   0.04150 -1.0 2.0
   49    45   -75    66   1.63200 -1.0 2.0
   49    52    62    63   0.00000  1.0 1.0
   49    52    62    64   0.00000  1.0 1.0
   49    52    62    65   0.00000  1.0 1.0
   49    53    66    67   0.43200  1.0 3.0
   49    53   -66    75  -0.64350  1.0 1.0
   49    53   -66    75  -0.04200 -1.0 2.0
   49    53   -66    75   0.19800  1.0 3.0
   49    53    66    76   1.13150  1.0 1.0
   49    53    66    76  -1.01400 -1.0 2.0
   49    53    68    69   0.43200  1.0 3.0
   49    53    68    70   0.43200  1.0 3.0
   49    53    68    71   0.43200  1.0 3.0
   49    53    72    73   0.43200  1.0 3.0
   49    53    72    74   0.43200  1.0 3.0
   49    53    72    78   0.21200  1.0 1.0
   49    53    72    78   0.16900 -1.0 2.0
   49    53    72    78  -1.15100  1.0 3.0
   52    40   -41    42   3.62500 -1.0 2.0
   52    40    41    43   3.62500 -1.0 2.0
   52    49    53    66   0.04150 -1.0 2.0
   52    49    53    68   0.04150 -1.0 2.0
   52    49    53    72   0.04150 -1.0 2.0
   53    49    52    40   3.62500 -1.0 2.0
   53    49    52    62   3.62500 -1.0 2.0
   53    66   -75    45  -0.32850  1.0 1.0
   53    66   -75    45  -0.35800 -1.0 2.0
   53    66   -75    45   0.33950  1.0 3.0
   53    66    76    77  -0.11600  1.0 1.0
   53    66    76    77  -0.09450 -1.0 2.0
   53    66    76    77   0.21250  1.0 3.0
   53    72    78    79   0.00000  1.0 1.0
   53    72    78    80   0.09850  1.0 1.0
   53    72    78    80   0.15250 -1.0 2.0
   53    72    78    80  -0.50650  1.0 3.0
   66    53    68    69   0.15000  1.0 3.0
   66    53    68    70   0.15000  1.0 3.0
   66    53    68    71   0.15000  1.0 3.0
   66    53    72    73   0.15000  1.0 3.0
   66    53    72    74   0.15000  1.0 3.0
   66    53    72    78   0.34400  1.0 1.0
   66    53    72    78   0.09450 -1.0 2.0
   66    53    72    78   0.11100  1.0 3.0
   67    66    75    45   0.08050  1.0 3.0
   67    66    76    77   0.19450  1.0 3.0
   75    45    49    52   3.62500 -1.0 2.0
   75    45   -49    53   3.62500 -1.0 2.0
   75    66    76    77  -0.50000  1.0 1.0
   75    66    76    77  -0.73950 -1.0 2.0
   75    66    76    77   0.17150  1.0 3.0
   76    66    75    45  -0.25600  1.0 1.0
   76    66    75    45  -0.40050 -1.0 2.0
   76    66    75    45   0.34700  1.0 3.0
   68    53    66    67   0.15000  1.0 3.0
   68    53    66    75   0.62750  1.0 1.0
   68    53    66    75  -0.30950 -1.0 2.0
   68    53    66    75   0.27300  1.0 3.0
   68    53    66    76   0.86500  1.0 1.0
   68    53    66    76  -0.17500 -1.0 2.0
   68    53    66    76   0.20800  1.0 3.0
   68    53    72    73   0.15000  1.0 3.0
   68    53    72    74   0.15000  1.0 3.0
   68    53    72    78   0.34400  1.0 1.0
   68    53    72    78   0.09450 -1.0 2.0
   68    53    72    78   0.11100  1.0 3.0
   72    53    66    67   0.15000  1.0 3.0
   72    53    66    75   0.62750  1.0 1.0
   72    53    66    75  -0.30950 -1.0 2.0
   72    53    66    75   0.27300  1.0 3.0
   72    53    66    76   0.86500  1.0 1.0
   72    53    66    76  -0.17500 -1.0 2.0
   72    53    66    76   0.20800  1.0 3.0
   72    53    68    69   0.15000  1.0 3.0
   72    53    68    70   0.15000  1.0 3.0
   72    53    68    71   0.15000  1.0 3.0
   72    78    80    81   7.00000 -1.0 2.0
   72    78    80    82   7.00000 -1.0 2.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    80   0.00000  1.0 1.0
   74    72    78    79   0.33100  1.0 3.0
   74    72    78    80   0.00000  1.0 1.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    82   7.00000 -1.0 2.0
   46    42    45    49   3.62500 -1.0 2.0
   46    42    45    75   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    50    51   0.00000  1.0 1.0
   43    48    50    54   0.09850  1.0 1.0
   43    48    50    54   0.15250 -1.0 2.0
   43    48    50    54  -0.50650  1.0 3.0
   43    48    50    58   0.09850  1.0 1.0
   43    48    50    58   0.15250 -1.0 2.0
   43    48    50    58  -0.50650  1.0 3.0
   44    43    48    33   7.00000 -1.0 2.0
   44    43    48    50   7.00000 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    50    58    61   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  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
   33    40    38    39  10.50000 -1.0 2.0
   41    52    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   49    75    45    42   4.00000 -1.0 2.0
   52    53    49    45   4.00000 -1.0 2.0
   49    62    52    40   4.00000 -1.0 2.0
   72    79    78    80  15.00000 -1.0 2.0
   81    82    80    78  15.00000 -1.0 2.0
   41    44    43    48   1.10000 -1.0 2.0
   33    50    48    43   1.10000 -1.0 2.0
END
