* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    152    240     445
    1     0 S   NP   _N1_     1    28.23147    95.60103   -26.33939
    2     1 S   H    _HN1     2     1.02956    85.41584    -7.22167
    3     1 S   H    _H1_     3     1.02837    21.75221   177.39721
    4     1 S   H    _H2_     4     1.02779   117.88969  -115.53264
    5     1 S   CT   _CA1     5     1.50152   118.61689   103.56742
    6     5 S   HC   _HA1     6     1.09578   105.18903    81.69197
    7     5 S   CO3  _C1_     7     1.53752   112.19442   -38.43444
    8     7 S   O2Z  _O11     8     1.26364   115.00325   -47.28054
    9     7 S   O2Z  _O12     9     1.26216   114.89738   131.53697
   10     5 S   CT   _CB1    10     1.53066   107.38582  -160.50846
   11    10 S   HC   HB11    11     1.09837   109.25352   -50.50257
   12    10 S   HC   HB12    12     1.09813   110.47994    65.99853
   13    10 S   CT   _CG1    13     1.53072   112.74785  -171.53139
   14    13 S   HC   HG11    14     1.09586   110.58534   -65.74948
   15    13 S   HC   HG12    15     1.09657   109.86829    53.51020
   16    13 S   C    _CD1    16     1.51864   112.05274   173.83515
   17    16 S   O    _OE1    17     1.22797   123.17493     4.85930
   18    16 S   N    _N2_    18     1.38548   111.96130  -175.06243
   19    18 S   H    _HN2    19     1.01582   119.31320     2.42285
   20    18 S   CT1  _CA2    20     1.45849   122.61484   177.63305
   21    20 S   HC   _HA2    21     1.09741   108.69987    29.12268
   22    20 S   C    _C2_    22     1.53011   106.99550   -87.88154
   23    22 S   O    _O2_    23     1.22995   123.08785   -27.59212
   24    20 S   CT   _CB2    32     1.53232   112.53721   152.34671
   25    24 S   HC   HB21    33     1.09460   109.92814    55.96513
   26    24 S   HC   HB22    34     1.09482   109.59143   174.61733
   27    22 S   N    _N3_    24     1.38526   112.61295   154.94459
   28    27 S   H    _HN3    25     1.01660   120.33200    -1.62823
   29    24 S   S    _SG2    35     1.82692   111.00638   -65.48113
   30    27 S   CT   _CA3    26     1.45353   122.41384   178.77587
   31    30 S   HC   HA31    27     1.09570   107.69053   -58.03486
   32    30 S   HC   HA32    28     1.09568   107.69593    58.25745
   33    29 S   CT   _C16    36     1.93297   100.78362   177.05496
   34    30 S   CO3  _C3_    29     1.52879   114.42276  -179.90309
   35    34 S   O2Z  _O31    30     1.26322   116.09875    -0.81877
   36    34 S   O2Z  _O32    31     1.26447   114.39552   179.17149
   37    33 S   CM   _C15    37     1.51755   103.14175   -79.38636
   38    37 S   HC   _H8_    38     1.09063   114.72065    64.52541
   39    33 S   CT   _C17    74     1.58148   112.93843   158.74769
   40    39 S   OM   _O37    75     1.33166   110.42617   -42.06687
   41    39 S   HC   _H3_    76     1.09614   105.68342  -167.28671
   42    33 S   OS   _O38    79     1.44661   106.65250    35.81896
   43    37 S   CMA  _C14    39     1.35472   128.92401  -115.44047
   44    43 S   OM   _O39    40     1.27188   125.66424   178.03218
   45    42 S   CT   _C20    80     1.42003   117.17828  -178.22326
   46    45 S   HC   _H10    81     1.09396   107.71442   164.84819
   47    45 S   HC   _H11    82     1.09279   112.36229    46.00475
   48    45 S   HC   _H12    83     1.09301   110.68409   -78.16360
   49    43 S   CT   _C13    41     1.61240   118.89111    -2.02497
   50    49 S   OM   _O40    42     1.34080   110.97331   143.64345
   51    49 S   CMA  _C12    43     1.62361   114.12485   -95.65883
   52    51 S   OM   _O34    44     1.26929   113.29556   -25.96964
   53    51 S   CM   _C10    45     1.36565   118.22013   153.82455
   54    53 S   CM   _C9_    46     1.45011   123.58783     2.09443
   55    53 S   CO4  _C11    56     1.51347   120.07770  -177.53169
   56    55 S   O    _O33    57     1.22524   122.96885    30.69735
   57    54 S   CM   _C8_    47     1.34077   122.16657   165.34000
   58    57 S   HC   _H7_    48     1.08578   121.70553   179.49101
   59    54 S   CO4  _C19    71     1.49134   120.13535   -15.21745
   60    59 S   O    _O35    72     1.23235   121.27804   170.74061
   61    57 S   CA   _C7_    49     1.46542   120.88387    -2.73280
   62    49 S   CT   _C18    73     1.60336   108.44179    26.21617
   63    61 S   CA   _C21    50     1.39995   118.68907  -171.53248
   64    63 S   HA   _H13    51     1.08771   120.14082    -0.57130
   65    62 S   OH   _O36    77     1.43958   110.73292    66.24216
   66    65 S   HO   _H9_    78     0.97304   105.83213  -166.96917
   67    63 S   CA   _C22    52     1.39056   119.99775   179.88465
   68    67 S   CA   _C23    53     1.39835   120.25875    -1.27687
   69    67 S   OH   _O43    69     1.36849   119.92315   178.41637
   70    69 S   HO   _H17    70     0.97242   108.97295     0.30001
   71    68 S   CA   _C5_    54     1.41155   121.21656     0.56371
   72    68 S   CO4  _C24    62     1.47170   118.22824   178.81254
   73    72 S   O    _O41    63     1.21862   123.72028  -107.75656
   74    61 S   CA   _C6_    55     1.40954   121.30148     8.68087
   75    71 S   CT   _C4_    58     1.50799   120.31881  -178.48457
   76    75 S   HC   _H4_    59     1.09422   110.21202  -100.30244
   77    75 S   HC   _H5_    60     1.09411   112.50766    20.47101
   78    75 S   HC   _H6_    61     1.09496   110.82216   137.73688
   79    72 S   OS   _O42    64     1.35605   107.78755    73.86236
   80    79 S   CT   _C25    65     1.42987   114.84311   179.20919
   81    80 S   HC   _H14    66     1.09327   108.12959   179.40653
   82    80 S   HC   _H15    67     1.09431   110.32519    60.68300
   83    80 S   HC   _H16    68     1.09429   110.26662   -61.88703
  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   2   1   1  12   5  14   6   5   6   9   4   3   2   1   1
  11   6  10   4  11  11   9   3  10   4   5   2   8   2   8   4
   1   1   9  12   3   1   8   8   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    62    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    59    62    39    40    41    65    42    45    46    47    48  
   35    36  
   36  
    0  
   38    43    44    49    50    51    62    39    40    41    42    45  
   43    44    49    39    42  
   40    41    65    66    42    45    43    49    50    51    54    59    60    62  
   41    65    42    49    59    62  
   65    42    49    59    62  
   45    46    47    48    43    62  
   44    49    50    51    52    53    59    62    65  
   49    50    51    62  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    59    60    62    65    66  
   51    52    53    59    62    65  
   52    53    54    57    74    55    56    59    62    65  
   53    54    55    62  
   54    57    58    61    71    74    55    56    59    60    62  
   57    58    61    63    74    55    56    59    60    62    65  
   56    75    59    57    61    63    68    71    74  
   61    71    74  
   58    61    63    64    67    71    74    59    60    62  
   61    63    74    59  
   60    62    65    66    61  
   62    65  
   63    64    67    68    71    74    75    69  
   65    66  
   64    67    68    71    74    72    69    70  
   67    68    74    69  
   66  
    0  
   68    71    74    75    72    73    79    69    70  
   71    74    75    76    77    78    72    73    79    80    69    70  
   70    71    72  
    0  
   74    75    76    77    78    72    73    79  
   73    79    80    81    82    83    74    75  
   79    80  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    49   270.000  1.512
   49    50   570.000  1.307
   49    51   270.000  1.512
   49    62   268.000  1.529
   51    52   745.000  1.250
   51    53   465.000  1.376
   53    54   380.000  1.444
   53    55   320.000  1.462
   54    57   549.000  1.340
   54    59   320.000  1.462
   57    58   340.000  1.080
   57    61   320.000  1.460
   61    63   469.000  1.400
   61    74   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    71   469.000  1.400
   68    72   310.000  1.470
   71    74   469.000  1.400
   71    75   317.000  1.510
   74    55   310.000  1.470
   55    56   570.000  1.229
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   72    73   570.000  1.229
   72    79   214.000  1.327
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   69    70   553.000  0.945
   59    60   570.000  1.229
   59    62   317.000  1.522
   62    39   268.000  1.529
   62    65   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   65    66   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    62    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    45    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    49    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    49    50    85.00000  110.90400
   43    49    51    70.00000  110.12100
   43    49    62    70.00000  112.02700
   49    43    44    85.00000  112.85300
   49    51    52    85.00000  112.85300
   49    51    53    65.00000  122.18000
   49    62    59    63.00000  111.10000
   49    62    39    58.35000  112.70000
   49    62    65    50.00000  109.50000
   51    49    50    85.00000  110.90400
   51    53    54    70.00000  117.34000
   51    53    55    60.00000  125.92000
   53    51    52    65.00000  137.10300
   53    54    57    70.00000  123.01800
   53    54    59    65.00000  118.96000
   53    55    74    65.00000  117.02400
   53    55    56    80.00000  123.72100
   54    57    58    35.00000  120.00000
   54    57    61    60.00000  123.20500
   54    59    60    80.00000  123.72100
   54    59    62    65.00000  118.62400
   57    61    63    60.00000  120.93500
   57    61    74    60.00000  120.93500
   61    57    58    40.00000  117.26300
   61    63    64    35.00000  120.00000
   61    63    67    63.00000  120.00000
   61    74    71    63.00000  120.00000
   61    74    55    60.00000  119.52600
   63    67    68    63.00000  120.00000
   63    67    69    70.00000  120.00000
   67    63    64    35.00000  120.00000
   67    68    71    63.00000  120.00000
   67    68    72    60.00000  119.52600
   67    69    70    35.00000  113.00000
   68    71    74    63.00000  120.00000
   68    71    75    70.00000  120.00000
   68    72    73    75.00000  123.78400
   68    72    79    81.00000  111.40000
   71    74    55    60.00000  119.52600
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   74    61    63    63.00000  120.00000
   74    55    56    75.00000  123.78400
   55    53    54    65.00000  118.96000
   75    71    74    70.00000  120.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   72    68    71    60.00000  119.52600
   72    79    80    83.00000  116.90000
   79    72    73    83.00000  123.40000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   69    67    68    70.00000  120.00000
   59    54    57    65.00000  118.96000
   59    62    39    63.00000  111.10000
   59    62    65    90.00000  109.61100
   62    49    50    50.00000  109.50000
   62    49    51    70.00000  112.02700
   62    59    60    80.00000  120.40000
   62    39    40    50.00000  109.50000
   62    39    41    37.50000  110.70000
   62    65    66    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    45.00000  125.66300
   65    62    39    50.00000  109.50000
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.14700  1.0 1.0
   29    33    42    45  -1.16150 -1.0 2.0
   29    33    42    45   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   33    42    45    46   0.37050  1.0 3.0
   33    42    45    47   0.37050  1.0 3.0
   33    42    45    48   0.37050  1.0 3.0
   37    33    39    62   0.34400  1.0 1.0
   37    33    39    62   0.09450 -1.0 2.0
   37    33    39    62   0.11100  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    45  -0.77900  1.0 1.0
   37    33    42    45  -0.36900 -1.0 2.0
   37    33    42    45   0.40400  1.0 3.0
   37    43    49    50   0.39000  1.0 1.0
   37    43    49    50  -0.05800 -1.0 2.0
   37    43    49    50  -0.55150  1.0 3.0
   37    43    49    51  -0.28300  1.0 1.0
   37    43    49    51   0.26700 -1.0 2.0
   37    43    49    51  -0.63300  1.0 3.0
   37    43   -49    62   0.09850  1.0 1.0
   37    43   -49    62   0.15250 -1.0 2.0
   37    43   -49    62  -0.50650  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    49   7.00000 -1.0 2.0
   43    49    51    52   0.09700  1.0 1.0
   43    49    51    52   0.15600 -1.0 2.0
   43    49    51    52  -0.50800  1.0 3.0
   43    49    51    53  -0.28300  1.0 1.0
   43    49    51    53   0.26700 -1.0 2.0
   43    49    51    53  -0.63300  1.0 3.0
   43    49    62    59  -0.98800  1.0 1.0
   43    49    62    59   0.48800 -1.0 2.0
   43    49    62    59   0.76800  1.0 3.0
   43    49    62    39   0.34400  1.0 1.0
   43    49    62    39   0.09450 -1.0 2.0
   43    49    62    39   0.11100  1.0 3.0
   43    49    62    65   1.05650  1.0 1.0
   43    49    62    65   0.15600 -1.0 2.0
   43    49    62    65   0.53150  1.0 3.0
   44    43    49    50   0.09700  1.0 1.0
   44    43    49    50   0.15600 -1.0 2.0
   44    43    49    50  -0.50800  1.0 3.0
   44    43    49    51   0.09700  1.0 1.0
   44    43    49    51   0.15600 -1.0 2.0
   44    43    49    51  -0.50800  1.0 3.0
   44    43    49    62   0.09700  1.0 1.0
   44    43    49    62   0.15600 -1.0 2.0
   44    43    49    62  -0.50800  1.0 3.0
   49    51    53    54   7.00000 -1.0 2.0
   49    51    53    55   7.00000 -1.0 2.0
   49    62   -39    33   0.56750  1.0 1.0
   49    62   -39    33  -0.07550 -1.0 2.0
   49    62   -39    33   0.20000  1.0 3.0
   49    62    39    40   0.62750  1.0 1.0
   49    62    39    40  -0.30950 -1.0 2.0
   49    62    39    40   0.27300  1.0 3.0
   49    62    39    41   0.15000  1.0 3.0
   49    62    65    66  -0.11600  1.0 1.0
   49    62    65    66  -0.09450 -1.0 2.0
   49    62    65    66   0.21250  1.0 3.0
   50    49    51    52   0.09700  1.0 1.0
   50    49    51    52   0.15600 -1.0 2.0
   50    49    51    52  -0.50800  1.0 3.0
   50    49    51    53   0.39000  1.0 1.0
   50    49    51    53  -0.05800 -1.0 2.0
   50    49    51    53  -0.55150  1.0 3.0
   50    49    62    59  -0.09450  1.0 1.0
   50    49    62    59  -1.12950 -1.0 2.0
   50    49    62    59   0.54000  1.0 3.0
   50    49    62    39   0.62750  1.0 1.0
   50    49    62    39  -0.30950 -1.0 2.0
   50    49    62    39   0.27300  1.0 3.0
   50    49    62    65   3.69350  1.0 1.0
   50    49    62    65  -1.82950 -1.0 2.0
   51    49    62    59  -0.98800  1.0 1.0
   51    49    62    59   0.48800 -1.0 2.0
   51    49    62    59   0.76800  1.0 3.0
   51    49    62    39   0.34400  1.0 1.0
   51    49    62    39   0.09450 -1.0 2.0
   51    49    62    39   0.11100  1.0 3.0
   51    49    62    65   1.05650  1.0 1.0
   51    49    62    65   0.15600 -1.0 2.0
   51    49    62    65   0.53150  1.0 3.0
   51    53    54    57   0.28850  1.0 1.0
   51    53    54    57   2.61350 -1.0 2.0
   51    53    54    57   0.78400  1.0 3.0
   51    53   -54    59  -0.18600  1.0 3.0
   51    53    55    74  -1.65800  1.0 1.0
   51    53    55    74   0.77650 -1.0 2.0
   51    53    55    56   1.00000 -1.0 2.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    54    57    58   7.00000 -1.0 2.0
   53    54    57    61   7.00000 -1.0 2.0
   53    54    59    60   1.00000 -1.0 2.0
   53    54    59    62  -0.33500  1.0 1.0
   53    54    59    62   1.06600 -1.0 2.0
   53    54    59    62  -0.14000  1.0 3.0
   54    53    55    74  -1.65800  1.0 1.0
   54    53    55    74   0.77650 -1.0 2.0
   54    53    55    56   1.00000 -1.0 2.0
   54    57    61    63   0.15800  1.0 1.0
   54    57    61    63   1.85350 -1.0 2.0
   54    57    61    63  -0.48700  1.0 3.0
   54    57   -61    74   0.15800  1.0 1.0
   54    57   -61    74   1.85350 -1.0 2.0
   54    57   -61    74  -0.48700  1.0 3.0
   54    59   -62    49   0.65300  1.0 1.0
   54    59   -62    49  -0.03850 -1.0 2.0
   54    59   -62    49   0.33900  1.0 3.0
   54    59    62    39   0.65300  1.0 1.0
   54    59    62    39  -0.03850 -1.0 2.0
   54    59    62    39   0.33900  1.0 3.0
   54    59    62    65   0.65300  1.0 1.0
   54    59    62    65  -0.03850 -1.0 2.0
   54    59    62    65   0.33900  1.0 3.0
   57    54    59    60   1.00000 -1.0 2.0
   57    54    59    62  -0.33500  1.0 1.0
   57    54    59    62   1.06600 -1.0 2.0
   57    54    59    62  -0.14000  1.0 3.0
   57    61    63    64   3.62500 -1.0 2.0
   57    61    63    67   3.62500 -1.0 2.0
   57    61    74    71   3.62500 -1.0 2.0
   57    61    74    55   3.62500 -1.0 2.0
   58    57    61    63   0.56550  1.0 3.0
   58    57    61    74   0.56550  1.0 3.0
   61    63    67    68   3.62500 -1.0 2.0
   61    63    67    69   3.62500 -1.0 2.0
   61    74   -55    53  -0.11500  1.0 1.0
   61    74   -55    53   1.10450 -1.0 2.0
   61    74   -55    53  -0.48050  1.0 3.0
   61    74    55    56   1.05000 -1.0 2.0
   63    61    74    71   3.62500 -1.0 2.0
   63    61    74    55   3.62500 -1.0 2.0
   63    67   -68    71   3.62500 -1.0 2.0
   63    67    68    72   3.62500 -1.0 2.0
   63    67    69    70   0.84100 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    69   3.62500 -1.0 2.0
   67    68    71    74   3.62500 -1.0 2.0
   67    68    71    75   3.62500 -1.0 2.0
   67    68    72    73   1.05000 -1.0 2.0
   67    68    72    79   0.98750 -1.0 2.0
   68    67    69    70   0.84100 -1.0 2.0
   68    71   -74    61   3.62500 -1.0 2.0
   68    71    74    55   3.62500 -1.0 2.0
   68    71    75    76   0.00000  1.0 1.0
   68    71    75    77   0.00000  1.0 1.0
   68    71    75    78   0.00000  1.0 1.0
   68    72    79    80   0.59950  1.0 1.0
   68    72    79    80   3.24850 -1.0 2.0
   71    68    72    73   1.05000 -1.0 2.0
   71    68    72    79   0.98750 -1.0 2.0
   71    74    55    53  -0.11500  1.0 1.0
   71    74    55    53   1.10450 -1.0 2.0
   71    74    55    53  -0.48050  1.0 3.0
   71    74    55    56   1.05000 -1.0 2.0
   74    61    63    64   3.62500 -1.0 2.0
   74    61   -63    67   3.62500 -1.0 2.0
   74    71    75    76   0.00000  1.0 1.0
   74    71    75    77   0.00000  1.0 1.0
   74    71    75    78   0.00000  1.0 1.0
   55    53   -54    57  -0.18600  1.0 3.0
   55    53    54    59   1.08500 -1.0 2.0
   75    71    74    61   3.62500 -1.0 2.0
   75    71    74    55   3.62500 -1.0 2.0
   72    68    71    74   3.62500 -1.0 2.0
   72    68    71    75   3.62500 -1.0 2.0
   72    79    80    81   0.08050  1.0 3.0
   72    79    80    82   0.08050  1.0 3.0
   72    79    80    83   0.08050  1.0 3.0
   73    72    79    80   3.00000 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    67    68    72   3.62500 -1.0 2.0
   59    54    57    58   7.00000 -1.0 2.0
   59    54    57    61   7.00000 -1.0 2.0
   59    62    39    33  -0.95700  1.0 1.0
   59    62    39    33  -0.18200 -1.0 2.0
   59    62    39    33   0.29450  1.0 3.0
   59    62    39    40  -0.09450  1.0 1.0
   59    62    39    40  -1.12950 -1.0 2.0
   59    62    39    40   0.54000  1.0 3.0
   59    62    39    41  -0.11250  1.0 3.0
   59    62    65    66   0.91850  1.0 1.0
   59    62    65    66   0.57950  1.0 3.0
   60    59    62    49   0.30150 -1.0 2.0
   60    59    62    39   0.30150 -1.0 2.0
   60    59    62    65   0.30150 -1.0 2.0
   62    49    51    52   0.09700  1.0 1.0
   62    49    51    52   0.15600 -1.0 2.0
   62    49    51    52  -0.50800  1.0 3.0
   62    49   -51    53   0.09850  1.0 1.0
   62    49   -51    53   0.15250 -1.0 2.0
   62    49   -51    53  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    43   0.09850  1.0 1.0
   39    33   -37    43   0.15250 -1.0 2.0
   39    33   -37    43  -0.50650  1.0 3.0
   39    33    42    45   0.06250  1.0 1.0
   39    33    42    45  -0.01100 -1.0 2.0
   39    33    42    45   0.28050  1.0 3.0
   39    62    65    66  -0.11600  1.0 1.0
   39    62    65    66  -0.09450 -1.0 2.0
   39    62    65    66   0.21250  1.0 3.0
   65    62    39    33   0.86500  1.0 1.0
   65    62    39    33  -0.17500 -1.0 2.0
   65    62    39    33   0.20800  1.0 3.0
   65    62    39    40   3.69350  1.0 1.0
   65    62    39    40  -1.82950 -1.0 2.0
   65    62    39    41   0.23400  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    62   0.62750  1.0 1.0
   42    33    39    62  -0.30950 -1.0 2.0
   42    33    39    62   0.27300  1.0 3.0
   42    33    39    40   1.11900  1.0 1.0
   42    33    39    40  -1.16350 -1.0 2.0
   42    33    39    40  -0.34150  1.0 3.0
   42    33    39    41   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   49    44    43    37   1.10000 -1.0 2.0
   49    52    51    53   1.10000 -1.0 2.0
   54    55    53    51   1.10000 -1.0 2.0
   53    59    54    57   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   63    74    61    57   4.00000 -1.0 2.0
   67    64    63    61   1.10000 -1.0 2.0
   68    69    67    63   4.00000 -1.0 2.0
   71    72    68    67   4.00000 -1.0 2.0
   74    75    71    68   4.00000 -1.0 2.0
   71    55    74    61   4.00000 -1.0 2.0
   53    74    55    56  10.50000 -1.0 2.0
   68    79    72    73  10.50000 -1.0 2.0
   54    62    59    60  10.50000 -1.0 2.0
END
