* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    191    315     575
    1     0 S   NP   _N1_     1    29.25318    94.28170   -18.42955
    2     1 S   H    _HN1     2     1.02781    69.67729   -61.72153
    3     1 S   H    _H1_     3     1.02958   111.53454    40.61090
    4     1 S   H    _H2_     4     1.02841    39.11438   131.50779
    5     1 S   CT   _CA1     5     1.50091   134.46365  -163.31601
    6     5 S   HC   _HA1     6     1.09558   105.36459    21.64432
    7     5 S   CO3  _C1_     7     1.53953   112.10737   -98.90682
    8     7 S   O2Z  _O11     8     1.26373   115.05166   -48.31047
    9     7 S   O2Z  _O12     9     1.26231   114.90172   130.86201
   10     5 S   CT   _CB1    10     1.53067   107.45207   139.77454
   11    10 S   HC   HB11    11     1.09818   109.81393   -48.12047
   12    10 S   HC   HB12    12     1.09846   110.18121    68.41876
   13    10 S   CT   _CG1    13     1.53113   112.62769  -169.19311
   14    13 S   HC   HG11    14     1.09485   110.41762   -50.37639
   15    13 S   HC   HG12    15     1.09570   110.44578    68.59955
   16    13 S   C    _CD1    16     1.51761   110.95607  -171.61143
   17    16 S   O    _OE1    17     1.22802   122.56849   -32.68649
   18    16 S   N    _N2_    18     1.38490   112.32853   147.66553
   19    18 S   H    _HN2    19     1.01565   119.26055     3.30322
   20    18 S   CT1  _CA2    20     1.46106   123.29923  -174.27005
   21    20 S   HC   _HA2    21     1.09730   109.35283   -16.23324
   22    20 S   C    _C2_    22     1.53391   108.19147  -132.05785
   23    22 S   O    _O2_    23     1.23005   122.32033  -144.62543
   24    20 S   CT   _CB2    32     1.53820   111.51467   105.75519
   25    24 S   HC   HB21    33     1.09213   109.85626    58.33291
   26    24 S   HC   HB22    34     1.09429   109.03925   175.97854
   27    22 S   N    _N3_    24     1.38531   113.27698    42.60857
   28    27 S   H    _HN3    25     1.01537   118.89737    -0.49099
   29    24 S   S    _SG2    35     1.83366   111.74526   -65.18357
   30    27 S   CT   _CA3    26     1.45448   123.41428   175.21844
   31    30 S   HC   HA31    27     1.09526   109.19037    25.12029
   32    30 S   HC   HA32    28     1.09494   107.12728   142.11091
   33    29 S   CT   _C8_    36     1.92287   103.78883   153.43854
   34    30 S   CO3  _C3_    29     1.52930   113.17289   -98.33094
   35    34 S   O2Z  _O31    30     1.26398   115.42935   -43.97305
   36    34 S   O2Z  _O32    31     1.26360   114.96792   136.98405
   37    33 S   CT   _C9_    37     1.59913   102.52442   156.16530
   38    37 S   HC   _H4_    38     1.09713   108.80052   -49.82042
   39    33 S   CT   _C7_    71     1.58626   108.88073    41.29459
   40    39 S   HC   _H3_    72     1.09478   109.60183   -78.82051
   41    37 S   CT   _C19    39     1.55245   113.67739    66.32971
   42    41 S   HC   _H23    40     1.09844   109.03079   -90.81856
   43    41 S   HC   _H24    41     1.09488   110.77852   155.12231
   44    37 S   CT   _C10    59     1.54826   110.21195  -166.01965
   45    44 S   HC   _H5_    60     1.09563   106.76455   -56.81261
   46    39 S   OH   _O38    73     1.43427   110.86438    36.97778
   47    46 S   HO   _H33    74     0.97249   107.86769  -171.44891
   48    41 S   CT   _C20    42     1.52457   115.43591    30.52478
   49    48 S   HC   _H25    43     1.09571   110.42410   -95.66010
   50    48 S   HC   _H26    44     1.09719   109.07970   149.32818
   51    44 S   CT   _C11    61     1.53269   119.32333  -175.94112
   52    51 S   HC   _H12    62     1.09595   110.13270   -41.97655
   53    51 S   HC   _H13    63     1.09464   111.98041    78.57538
   54    48 S   CM   _C21    45     1.49764   110.27456    25.98112
   55    51 S   CT   _C12    64     1.54393   104.59874  -160.13802
   56    55 S   HC   _H6_    65     1.09432   109.33056   131.83566
   57    54 S   CM   _C22    46     1.34314   119.94780   111.75405
   58    57 S   HC   _H27    47     1.08458   122.09456     3.19071
   59    55 S   CT   _C13    66     1.53813   106.91600     6.86421
   60    57 S   CO4  _C23    48     1.47598   121.26783  -174.00406
   61    60 S   O    _O37    49     1.22587   121.29500  -176.18115
   62    44 S   CT   _C5_    67     1.55051   113.51155    62.10181
   63    59 S   OS   _O33    79     1.42845   103.78540   -95.50741
   64    59 S   CO4  _C17    90     1.53891   113.34517   146.68247
   65    64 S   O    _O35    91     1.23264   121.41988   -22.36374
   66    60 S   CM   _C24    50     1.47381   117.49200     5.55926
   67    66 S   HC   _H28    51     1.08357   117.80313   175.58009
   68    62 S   CT   _C6_    68     1.54131   106.92451   -61.63181
   69    68 S   HC   _H10    69     1.09223   109.71824   -69.55471
   70    68 S   HC   _H11    70     1.09597   109.09987   175.09847
   71    62 S   CT   _C4_    75     1.55512   113.58263    61.02206
   72    71 S   HC   _H7_    76     1.09492   112.54260    67.46067
   73    71 S   HC   _H8_    77     1.09055   113.75259   -52.73293
   74    71 S   HC   _H9_    78     1.09621   110.50709  -173.07689
   75    63 S   CO   _C14    80     1.43219   106.81464   -23.56351
   76    64 S   CT   _C18    92     1.52112   117.36671   158.84296
   77    76 S   HC   _H20    93     1.09005   109.77543    63.52629
   78    76 S   HC   _H21    94     1.09245   109.71675   -58.01160
   79    66 S   CM   _C25    52     1.33810   120.55685    -6.56585
   80    79 S   HC   _H29    53     1.08736   116.51135  -175.25220
   81    55 S   OS   _O34    81     1.42424   111.14310  -108.82719
   82    75 S   CT   _C15    82     1.52622   109.60914  -103.33331
   83    82 S   HC   _H14    83     1.09508   111.05510    63.29216
   84    82 S   HC   _H15    84     1.09498   111.24144   -56.14926
   85    82 S   HC   _H16    85     1.09530   111.21742  -178.09906
   86    75 S   CT   _C16    86     1.52207   109.07171   135.82754
   87    86 S   HC   _H17    87     1.09402   110.42042   -63.67596
   88    86 S   HC   _H18    88     1.09518   111.36660   178.03238
   89    86 S   HC   _H19    89     1.09471   111.39818    55.82251
   90    76 S   OH   _O36    95     1.41479   110.25996  -177.26033
   91    90 S   HO   _H22    96     0.97224   107.28437   178.14122
   92    33 S   CT   _C26    54     1.64981   111.20438   -85.53069
   93    92 S   CT   _C27    55     1.55425   114.81478    22.14247
   94    93 S   HC   _H30    56     1.09288   112.95373   -61.09540
   95    93 S   HC   _H31    57     1.09983   111.41925  -179.22066
   96    93 S   HC   _H32    58     1.09368   112.08925    62.40132
  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  13   5   4   3
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  12  13   6   8   4  19   6   3  13  15  10
   4   5   3   7   2   1   3   2   1   1   9   4   3   2   6   2
   8   7   3   2   1   3   2   1   1   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    92    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    79    92    93    44    68    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    66    79    80    92    93    94    95    96    44    45    51    62    68    69    70    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    79    92    93    44    45    51    52    53    55    59    62    68    39    40    46    71  
   41    42    43    48    92    44    45    51    62    39  
   40    46    47    71    41    44    54    59    62    68    69    70    79    92    93  
   46    47    62    68    69    70    92  
   42    43    48    49    50    54    57    92    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    62    68    69    70    71    72    73    74    63    81    64    48    92  
   51    52    53    55    59    62    68    71  
   47    62    68    69    70    92  
   68  
   49    50    54    57    58    60    79    92    93  
   50    54    57    92  
   54    57    92  
   52    53    55    56    59    62    68    71    63    75    81    64  
   53    55    56    59    62    81  
   55    56    59    62    81  
   57    58    60    61    66    79    80    92    93    94    95    96  
   56    59    62    68    71    63    75    81    82    86    64    65    76  
   59    62    63    75    81    64  
   58    60    61    66    67    79    92    93  
   60    61    66    92  
   62    68    69    70    71    72    73    74    63    75    81    82    86    64    65    76    77    78    90  
   61    66    67    79    80    92  
   66    67    79  
   68    69    70    71    72    73    74    63    75    81    64    65    76  
   75    81    82    83    84    85    86    87    88    89    64    65    76    68    71  
   65    76    77    78    90    91    68    71    75    81  
   76    77    78    90  
   67    79    80    92    93  
   79    80    92  
   69    70    71    72    73    74    92  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   81    82    83    84    85    86    87    88    89  
   77    78    90    91  
   78    90    91  
   90    91  
   80    92    93    94    95    96  
   92    93  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91  
    0  
   93    94    95    96  
   94    95    96  
   95    96  
   96  
    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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   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    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   268.000  1.529
   33    92   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    92   317.000  1.510
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    79   549.000  1.340
   79    80   340.000  1.080
   79    92   317.000  1.510
   92    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    81   320.000  1.410
   59    62   268.000  1.529
   59    63   320.000  1.410
   59    64   317.000  1.522
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    75   320.000  1.380
   75    81   320.000  1.380
   75    82   250.000  1.527
   75    86   250.000  1.527
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   64    65   570.000  1.229
   64    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    90   320.000  1.410
   90    91   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    92    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    92    54    70.00000  112.02700
   33    92    79    70.00000  112.02700
   33    92    93    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    62    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    92    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    60    65.00000  118.96000
   54    92    79    70.00000  110.12100
   54    92    93    70.00000  112.02700
   57    60    61    80.00000  123.72100
   57    60    66    65.00000  118.65900
   60    57    58    40.00000  117.72500
   60    66    67    40.00000  117.72500
   60    66    79    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    79    80    35.00000  120.00000
   66    79    92    70.00000  124.00000
   79    66    67    35.00000  120.00000
   79    92    93    70.00000  112.02700
   92    33    37    58.35000  112.70000
   92    54    57    70.00000  124.00000
   92    79    80    35.00000  117.00000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    62    59    58.35000  112.70000
   44    62    68    58.35000  112.70000
   44    62    71    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    81    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    59    63    50.00000  109.50000
   55    59    64    63.00000  111.10000
   55    81    75    60.00000  109.50000
   59    55    56    37.50000  110.70000
   59    62    68    58.35000  112.70000
   59    62    71    58.35000  112.70000
   59    63    75    60.00000  109.50000
   59    64    65    80.00000  120.40000
   59    64    76    70.00000  116.00000
   62    44    45    37.50000  110.70000
   62    44    51    58.35000  112.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    39    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    46    50.00000  109.50000
   70    68    69    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    92    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   71    62    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    62    50.00000  109.50000
   63    75    81    92.60000  111.55000
   63    75    82    90.00000  108.56700
   63    75    86    90.00000  108.56700
   75    82    83    45.00000  108.72000
   75    82    84    45.00000  108.72000
   75    82    85    45.00000  108.72000
   75    86    87    45.00000  108.72000
   75    86    88    45.00000  108.72000
   75    86    89    45.00000  108.72000
   81    55    56    35.00000  109.50000
   81    55    59    50.00000  109.50000
   82    75    81    90.00000  108.56700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    75    81    90.00000  108.56700
   86    75    82    65.00000  112.71400
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   64    59    62    63.00000  111.10000
   64    59    63    90.00000  108.74100
   64    76    77    35.00000  109.50000
   64    76    78    35.00000  109.50000
   64    76    90    90.00000  109.61100
   76    64    65    80.00000  120.40000
   76    90    91    55.00000  108.50000
   78    76    77    33.00000  107.80000
   90    76    77    35.00000  109.50000
   90    76    78    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    92   0.01700  1.0 1.0
   24    29    33    92  -0.23550 -1.0 2.0
   24    29    33    92   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    92    54   0.56750  1.0 1.0
   29    33    92    54  -0.07550 -1.0 2.0
   29    33    92    54   0.20000  1.0 3.0
   29    33    92    79   0.56750  1.0 1.0
   29    33    92    79  -0.07550 -1.0 2.0
   29    33    92    79   0.20000  1.0 3.0
   29    33    92    93   0.44750  1.0 1.0
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   64    59    62    68  -0.95700  1.0 1.0
   64    59    62    68  -0.18200 -1.0 2.0
   64    59    62    68   0.29450  1.0 3.0
   64    59    62    71  -0.95700  1.0 1.0
   64    59    62    71  -0.18200 -1.0 2.0
   64    59    62    71   0.29450  1.0 3.0
   64    59    63    75  -1.11000  1.0 1.0
   64    59    63    75   0.50250 -1.0 2.0
   64    59    63    75   0.47450  1.0 3.0
   64    76    90    91   0.91850  1.0 1.0
   64    76    90    91   0.57950  1.0 3.0
   65    64    76    77   0.00000  1.0 1.0
   65    64    76    78   0.00000  1.0 1.0
   65    64    76    90   0.30150 -1.0 2.0
   77    76    90    91   0.19450  1.0 3.0
   78    76    90    91   0.19450  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
   48    92    54    57   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   57    66    60    61  10.50000 -1.0 2.0
   60    67    66    79   1.10000 -1.0 2.0
   92    80    79    66   1.10000 -1.0 2.0
   59    76    64    65  10.50000 -1.0 2.0
END
