* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    29.80320    91.04865   -17.34121
    2     1 S   H    _HN1     2     1.02852   103.99906   -27.69117
    3     1 S   H    _H1_     3     1.03036   129.19475    97.61951
    4     1 S   H    _H2_     4     1.02809    24.08601    74.07832
    5     1 S   CT   _CA1     5     1.49702    92.51452  -141.57197
    6     5 S   HC   _HA1     6     1.09594   104.98753    47.59304
    7     5 S   CO3  _C1_     7     1.53847   112.81135   -72.29674
    8     7 S   O2Z  _O11     8     1.26349   115.42025   -49.30489
    9     7 S   O2Z  _O12     9     1.26296   114.79478   130.00627
   10     5 S   CT   _CB1    10     1.53149   107.57768   165.17165
   11    10 S   HC   HB11    11     1.09836   109.60820   -49.21256
   12    10 S   HC   HB12    12     1.09773   110.48433    67.27177
   13    10 S   CT   _CG1    13     1.53019   112.32928  -170.17145
   14    13 S   HC   HG11    14     1.09589   111.08141   -66.66656
   15    13 S   HC   HG12    15     1.09622   110.58150    52.33241
   16    13 S   C    _CD1    16     1.51481   110.86124   172.01006
   17    16 S   O    _OE1    17     1.22847   121.73258  -101.64039
   18    16 S   N    _N2_    18     1.38253   112.93949    77.47974
   19    18 S   H    _HN2    19     1.01584   118.94169     5.64660
   20    18 S   CT1  _CA2    20     1.45944   123.13941   178.84107
   21    20 S   HC   _HA2    21     1.09717   109.12409    19.19281
   22    20 S   C    _C2_    22     1.52838   107.15272   -98.04694
   23    22 S   O    _O2_    23     1.22943   122.92154   -26.95295
   24    20 S   CT   _CB2    32     1.53178   111.73676   142.35796
   25    24 S   HC   HB21    33     1.09604   109.62423    52.59998
   26    24 S   HC   HB22    34     1.09499   111.03999   171.78417
   27    22 S   N    _N3_    24     1.38629   112.37438   156.05685
   28    27 S   H    _HN3    25     1.01494   119.72706     0.69154
   29    24 S   S    _SG2    35     1.82493   110.75611   -68.09291
   30    27 S   CT   _CA3    26     1.45439   122.74884   174.94514
   31    30 S   HC   HA31    27     1.09544   108.85734    32.09027
   32    30 S   HC   HA32    28     1.09476   107.19026   149.23163
   33    29 S   CT   _C13    36     1.84212    99.42127   164.16646
   34    33 S   HC   _H5_    37     1.09483   109.00231   -12.89739
   35    30 S   CO3  _C3_    29     1.53085   113.69657   -90.79534
   36    35 S   O2Z  _O31    30     1.26372   115.89329   -28.91644
   37    35 S   O2Z  _O32    31     1.26422   114.62765   151.91908
   38    33 S   CT   _C14    38     1.53074   109.90411   108.39559
   39    38 S   HC   _H20    39     1.09290   114.24123   -30.87965
   40    38 S   HC   _H21    40     1.09522   110.55139  -155.26860
   41    38 S   CO4  _C15    41     1.51199   102.75148    90.03092
   42    41 S   O    _O33    42     1.22498   123.09750  -168.59749
   43    41 S   CT   _C16    43     1.52117   112.39838    11.92660
   44    43 S   HC   _H6_    44     1.09773   107.85824  -103.04894
   45    33 S   CT   _C12    45     1.54549   114.05219  -136.46030
   46    45 S   HC   _H4_    46     1.10143   106.79827   167.99764
   47    43 S   CT   _C17    71     1.53002   113.39903   133.03109
   48    47 S   HC   _H22    72     1.09770   110.39958   -38.06467
   49    47 S   HC   _H23    73     1.09503   110.56330  -154.48254
   50    45 S   CM   _C11    47     1.50462   115.50712    47.02400
   51    50 S   HC   _H19    48     1.08825   117.03118   -69.72808
   52    47 S   CM   _C18    74     1.50252   112.11289    82.33968
   53    52 S   HC   _H24    75     1.08869   115.68777   -83.18039
   54    50 S   CM   _C10    49     1.34125   124.47476   111.49407
   55    54 S   HC   _H18    50     1.08679   119.93005    -0.70081
   56    52 S   CM   _C19    76     1.34228   126.85208    97.82646
   57    56 S   HC   _H25    77     1.08903   117.07451   178.28491
   58    54 S   CT   _C9_    51     1.50062   122.67345   179.39413
   59    58 S   HC   _H3_    52     1.09520   109.97146     6.30061
   60    56 S   CT   _C20    78     1.50383   127.35480    -2.15513
   61    60 S   HC   _H26    79     1.09359   111.78813    -2.86314
   62    60 S   HC   _H27    80     1.09660   108.12300   114.55196
   63    58 S   CT   _C8_    53     1.53170   111.30247  -115.60048
   64    63 S   HC   _H16    54     1.09784   109.87718   -62.23980
   65    63 S   HC   _H17    55     1.09751   109.55634    55.53360
   66    58 S   OH   _O36    69     1.42424   107.66827   123.61849
   67    66 S   HO   _H32    70     0.97626   106.82327  -150.49142
   68    60 S   CT   _C21    81     1.53302   110.97232  -125.32736
   69    68 S   HC   _H28    82     1.09705   109.98918    59.69027
   70    68 S   HC   _H29    83     1.09776   109.18175   -56.91324
   71    63 S   CT   _C7_    56     1.53242   112.10960   177.12145
   72    71 S   HC   _H14    57     1.09595   109.62055   -54.29084
   73    71 S   HC   _H15    58     1.09640   109.88160    63.18704
   74    68 S   CT   _C22    84     1.52651   112.29242  -176.93254
   75    74 S   HC   _H30    85     1.09760   108.25475   167.59585
   76    74 S   HC   _H31    86     1.09708   109.56817    51.60641
   77    71 S   CT   _C6_    59     1.52950   111.28968  -175.46413
   78    77 S   HC   _H12    60     1.09677   109.58717   -59.32717
   79    77 S   HC   _H13    61     1.09690   109.58741    57.98699
   80    74 S   CO3  _C23    87     1.52945   116.93087   -72.88945
   81    80 S   O2Z  _O35    88     1.26142   116.75035   -20.10652
   82    80 S   O2Z  _O34    89     1.26472   114.50849   161.37764
   83    77 S   CT   _C5_    62     1.52835   111.26022   179.23026
   84    83 S   HC   _H10    63     1.09630   109.85112   -58.71331
   85    83 S   HC   _H11    64     1.09621   109.87168    59.01120
   86    83 S   CT   _C4_    65     1.52026   111.48616  -179.82306
   87    86 S   HC   _H7_    66     1.09468   111.00178   -60.25197
   88    86 S   HC   _H8_    67     1.09470   110.99609    60.26677
   89    86 S   HC   _H9_    68     1.09449   110.26188  -180.00000
  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
  14   8   2   1   1  10   5   4  10   4  12   7  10   4   8   4
   3   7   3   7   3   9   4   8   4  10   6   9   5   4  11   6
   5   2   1   8   5   4   9   5   4   5   4   3   9   5   4   2
   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    45    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    50    51    54    47  
   38    39    40    41    43    45    46    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    50    47  
   40    41    42    43    45  
   41    42    43    45  
   42    43    44    45    46    50    47    48    49    52  
   43    44    45    47  
   44    45    46    50    51    54    47    48    49    52    53    56  
   45    46    50    47    48    49    52  
   46    50    51    54    55    58    47    48    49    52  
   50    51    54    47  
   48    49    52    53    56    57    60    50  
   49    52    53    56  
   52    53    56  
   51    54    55    58    59    63    66  
   54    55    58  
   53    56    57    60    61    62    68  
   56    57    60  
   55    58    59    63    64    65    71    66    67  
   58    59    63    66  
   57    60    61    62    68    69    70    74  
   60    61    62    68  
   59    63    64    65    71    72    73    77    66    67  
   63    64    65    71    66    67  
   61    62    68    69    70    74    75    76    80  
   62    68    69    70    74  
   68    69    70    74  
   64    65    71    72    73    77    78    79    83    66    67  
   65    71    72    73    77    66  
   71    72    73    77    66  
   67    71  
    0  
   69    70    74    75    76    80    81    82  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    83    84    85    86  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82  
   76    80    81    82  
   80    81    82  
   78    79    83    84    85    86    87    88    89  
   79    83    84    85    86  
   83    84    85    86  
   81    82  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   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   340.000  1.090
   33    38   268.000  1.529
   33    45   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   317.000  1.510
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   66    67   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
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    45    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    45    43    58.35000  112.70000
   33    45    46    37.50000  110.70000
   33    45    50    70.00000  112.02700
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    45    46    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    70.00000  112.02700
   45    33    34    37.50000  110.70000
   45    33    38    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    50    51    35.00000  117.00000
   45    50    54    70.00000  124.00000
   50    45    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    63    70.00000  112.02700
   54    58    66    90.00000  110.39200
   58    54    55    35.00000  117.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    71    58.35000  112.70000
   58    66    67    55.00000  108.50000
   63    58    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    63    50.00000  109.50000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    52    53    35.00000  117.00000
   47    52    56    70.00000  124.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    68    70.00000  112.02700
   60    56    57    35.00000  117.00000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    70.00000  109.69300
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    70.00000  117.00000
   74    80    82    70.00000  117.00000
   76    74    75    33.00000  107.80000
   80    74    75    35.00000  109.50000
   80    74    76    35.00000  109.50000
   82    80    81    80.00000  126.00000
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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    45    43   0.44750  1.0 1.0
   29    33    45    43  -0.17800 -1.0 2.0
   29    33    45    43   0.20200  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    50   0.56750  1.0 1.0
   29    33    45    50  -0.07550 -1.0 2.0
   29    33    45    50   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    45    50    51   0.00000  1.0 1.0
   33    45    50    54   0.09850  1.0 1.0
   33    45    50    54   0.15250 -1.0 2.0
   33    45    50    54  -0.50650  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    41  -0.11250  1.0 3.0
   34    33    45    43   0.15000  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    50   0.15000  1.0 3.0
   38    33   -45    43   0.56750  1.0 1.0
   38    33   -45    43  -0.07550 -1.0 2.0
   38    33   -45    43   0.20000  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    50   0.34400  1.0 1.0
   38    33    45    50   0.09450 -1.0 2.0
   38    33    45    50   0.11100  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41   -43    45   0.60050  1.0 1.0
   38    41   -43    45   0.05600 -1.0 2.0
   38    41   -43    45   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -45    33  -0.95700  1.0 1.0
   41    43   -45    33  -0.18200 -1.0 2.0
   41    43   -45    33   0.29450  1.0 3.0
   41    43    45    46  -0.11250  1.0 3.0
   41    43    45    50  -0.98800  1.0 1.0
   41    43    45    50   0.48800 -1.0 2.0
   41    43    45    50   0.76800  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    52  -0.98800  1.0 1.0
   41    43    47    52   0.48800 -1.0 2.0
   41    43    47    52   0.76800  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    45    50    51   0.00000  1.0 1.0
   43    45    50    54   0.09850  1.0 1.0
   43    45    50    54   0.15250 -1.0 2.0
   43    45    50    54  -0.50650  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    56   0.09850  1.0 1.0
   43    47    52    56   0.15250 -1.0 2.0
   43    47    52    56  -0.50650  1.0 3.0
   44    43    45    33   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   45    33    38    39   0.15000  1.0 3.0
   45    33    38    40   0.15000  1.0 3.0
   45    33   -38    41  -0.95700  1.0 1.0
   45    33   -38    41  -0.18200 -1.0 2.0
   45    33   -38    41   0.29450  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    52   0.34400  1.0 1.0
   45    43    47    52   0.09450 -1.0 2.0
   45    43    47    52   0.11100  1.0 3.0
   45    50    54    55   7.00000 -1.0 2.0
   45    50    54    58   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    54   0.00000  1.0 1.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    63   0.09850  1.0 1.0
   50    54    58    63   0.15250 -1.0 2.0
   50    54    58    63  -0.50650  1.0 3.0
   50    54    58    66   0.67800  1.0 1.0
   50    54    58    66   0.47050 -1.0 2.0
   50    54    58    66  -0.62500  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    63    64   0.15000  1.0 3.0
   54    58    63    65   0.15000  1.0 3.0
   54    58    63    71   0.34400  1.0 1.0
   54    58    63    71   0.09450 -1.0 2.0
   54    58    63    71   0.11100  1.0 3.0
   54    58    66    67  -0.07800  1.0 1.0
   54    58    66    67  -0.21500 -1.0 2.0
   54    58    66    67  -0.03150  1.0 3.0
   55    54    58    59   0.33100  1.0 3.0
   55    54    58    63   0.00000  1.0 1.0
   55    54    58    66   0.00000  1.0 1.0
   58    63    71    72   0.15000  1.0 3.0
   58    63    71    73   0.15000  1.0 3.0
   58    63    71    77   0.56750  1.0 1.0
   58    63    71    77  -0.07550 -1.0 2.0
   58    63    71    77   0.20000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    71   0.15000  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   63    58    66    67  -0.11600  1.0 1.0
   63    58    66    67  -0.09450 -1.0 2.0
   63    58    66    67   0.21250  1.0 3.0
   63    71    77    78   0.15000  1.0 3.0
   63    71    77    79   0.15000  1.0 3.0
   63    71    77    83   0.56750  1.0 1.0
   63    71    77    83  -0.07550 -1.0 2.0
   63    71    77    83   0.20000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    73   0.15000  1.0 3.0
   64    63    71    77   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    73   0.15000  1.0 3.0
   65    63    71    77   0.15000  1.0 3.0
   71    77    83    84   0.15000  1.0 3.0
   71    77    83    85   0.15000  1.0 3.0
   71    77    83    86   0.56750  1.0 1.0
   71    77    83    86  -0.07550 -1.0 2.0
   71    77    83    86   0.20000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83   0.15000  1.0 3.0
   77    83    86    87   0.15000  1.0 3.0
   77    83    86    88   0.15000  1.0 3.0
   77    83    86    89   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   66    58    63    64   0.23400  1.0 3.0
   66    58    63    65   0.23400  1.0 3.0
   66    58    63    71   0.86500  1.0 1.0
   66    58    63    71  -0.17500 -1.0 2.0
   66    58    63    71   0.20800  1.0 3.0
   47    43    45    33   0.56750  1.0 1.0
   47    43    45    33  -0.07550 -1.0 2.0
   47    43    45    33   0.20000  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    50   0.34400  1.0 1.0
   47    43    45    50   0.09450 -1.0 2.0
   47    43    45    50   0.11100  1.0 3.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    60   7.00000 -1.0 2.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    56   0.00000  1.0 1.0
   49    47    52    53   0.33100  1.0 3.0
   49    47    52    56   0.00000  1.0 1.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    62   0.00000  1.0 1.0
   52    56    60    68   0.09850  1.0 1.0
   52    56    60    68   0.15250 -1.0 2.0
   52    56    60    68  -0.50650  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    60   7.00000 -1.0 2.0
   56    60    68    69   0.15000  1.0 3.0
   56    60    68    70   0.15000  1.0 3.0
   56    60    68    74   0.34400  1.0 1.0
   56    60    68    74   0.09450 -1.0 2.0
   56    60    68    74   0.11100  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    62   0.33100  1.0 3.0
   57    56    60    68   0.00000  1.0 1.0
   60    68    74    75   0.15000  1.0 3.0
   60    68    74    76   0.15000  1.0 3.0
   60    68    74    80  -1.63150  1.0 1.0
   60    68    74    80  -0.43550 -1.0 2.0
   60    68    74    80   0.24500  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    74   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    74   0.15000  1.0 3.0
   68    74    80    81   0.41150 -1.0 2.0
   68    74    80    82   0.41150 -1.0 2.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80  -0.11250  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80  -0.11250  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.00000  1.0 1.0
   76    74    80    81   0.00000  1.0 1.0
   76    74    80    82   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
   38    43    41    42  10.50000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
   47    53    52    56  15.00000 -1.0 2.0
   60    57    56    52  15.00000 -1.0 2.0
   81    74    80    82  10.50000 -1.0 2.0
END
