* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    194    321     589
    1     0 S   NP   _N1_     1    28.94965    92.05337   -19.52562
    2     1 S   H    _HN1     2     1.02952   103.46508    43.82220
    3     1 S   H    _H1_     3     1.02841    20.66529   146.41984
    4     1 S   H    _H2_     4     1.02780    90.41237   -65.18384
    5     1 S   CT   _CA1     5     1.50138   129.35934   175.10619
    6     5 S   HC   _HA1     6     1.09593   105.16102    48.25270
    7     5 S   CO3  _C1_     7     1.53714   112.51162   -71.59887
    8     7 S   O2Z  _O11     8     1.26298   114.99106   -42.63548
    9     7 S   O2Z  _O12     9     1.26234   114.93915   136.48868
   10     5 S   CT   _CB1    10     1.53113   107.40204   165.82253
   11    10 S   HC   HB11    11     1.09797   108.93378   -53.92225
   12    10 S   HC   HB12    12     1.09770   110.53523    62.46761
   13    10 S   CT   _CG1    13     1.52963   112.70697  -175.35835
   14    13 S   HC   HG11    14     1.09614   110.07068   -68.10960
   15    13 S   HC   HG12    15     1.09662   110.12538    50.85600
   16    13 S   C    _CD1    16     1.51868   112.66006   170.72559
   17    16 S   O    _OE1    17     1.22701   123.23115   -12.17022
   18    16 S   N    _N2_    18     1.38557   111.50813   169.34242
   19    18 S   H    _HN2    19     1.01600   118.83792    -1.97457
   20    18 S   CT1  _CA2    20     1.46292   123.86758   178.47287
   21    20 S   HC   _HA2    21     1.09745   109.22241   -19.04973
   22    20 S   C    _C2_    22     1.53537   107.90204  -134.32979
   23    22 S   O    _O2_    23     1.23001   122.44180  -146.20363
   24    20 S   CT   _CB2    32     1.53406   111.39314   103.53413
   25    24 S   HC   HB21    33     1.09581   109.74433    47.82449
   26    24 S   HC   HB22    34     1.09481   110.89996   167.20286
   27    22 S   N    _N3_    24     1.38583   113.25507    41.31194
   28    27 S   H    _HN3    25     1.01534   118.84845    -0.71189
   29    24 S   S    _SG2    35     1.82675   111.59879   -73.68238
   30    27 S   CT   _CA3    26     1.45444   123.50758   175.08482
   31    30 S   HC   HA31    27     1.09519   109.27968    23.45424
   32    30 S   HC   HA32    28     1.09496   107.10719   140.46951
   33    29 S   CT   _C19    36     1.84945   100.00661   166.80569
   34    33 S   HC   _H6_    37     1.10355   102.50056     9.86039
   35    30 S   CO3  _C3_    29     1.52922   113.10531  -100.05327
   36    35 S   O2Z  _O31    30     1.26404   115.41330   -44.07943
   37    35 S   O2Z  _O32    31     1.26355   114.97728   136.85895
   38    33 S   CO4  _C20    38     1.52613   109.41865   114.74098
   39    38 S   O    _O36    39     1.22706   124.96127    -1.28801
   40    38 S   OS   _O37    40     1.36467   114.48433  -176.05971
   41    40 S   CT   _C21    41     1.45793   121.15727   -21.03383
   42    41 S   HC   _H7_    42     1.09774   105.90306    83.31654
   43    41 S   C5BC _C22    43     1.50620   109.41266  -163.43886
   44    41 S   CT   _C5_    51     1.58063   108.96337   -36.63444
   45    43 S   C5BC _C23    44     1.42579   128.11846    31.21226
   46    45 S   HA   _H17    45     1.08098   127.33461     1.06899
   47    44 S   CT   _C6_    52     1.57452   112.73706  -174.58615
   48    47 S   HC   _H11    53     1.09850   108.22170    81.65680
   49    47 S   HC   _H12    54     1.09757   109.94638   -32.93533
   50    33 S   CT   _C18    76     1.60026   118.49393  -111.45071
   51    50 S   OM   _O39    77     1.34316   100.52255   103.02895
   52    44 S   CT   _C4_    96     1.57001   105.52151   -56.55816
   53    52 S   HC   _H8_    97     1.09214   113.49165    53.82470
   54    52 S   HC   _H9_    98     1.09577   110.52956   -65.74644
   55    52 S   HC   _H10    99     1.08397   115.87663   175.30306
   56    45 S   C5A  _C24    46     1.37435   106.69439  -179.07825
   57    56 S   HA   _H18    47     1.08019   133.82061  -179.73459
   58    47 S   CT   _C7_    55     1.56057   116.24001  -157.10969
   59    58 S   HC   _H3_    56     1.09256   104.30043  -139.47934
   60    56 S   OA   _O38    48     1.35647   110.47081     0.60555
   61    58 S   CT   _C8_    57     1.54730   113.65238   -18.80173
   62    61 S   HC   _H4_    58     1.09177    99.79274   -56.34392
   63    58 S   OH   _O40    94     1.42208   112.11066   106.99889
   64    63 S   HO   _H32    95     0.97130   108.11749    43.74734
   65    43 S   C5A  _C25    49     1.38212   126.93410  -146.54123
   66    65 S   HA   _H19    50     1.08069   133.37104    -0.96793
   67    61 S   CT   _C9_    59     1.61552   119.68114  -161.62629
   68    67 S   CM   _C10    60     1.54344   108.28488    39.85383
   69    68 S   HC   _H13    61     1.08885   115.05510   -53.05900
   70    67 S   CT   _C14    68     1.60433   105.53732   159.77146
   71    70 S   HC   _H5_    69     1.10360   103.13988   -64.24178
   72    67 S   CT   _C29    90     1.53534   114.20127   -74.84359
   73    72 S   HC   _H29    91     1.08857   113.12031   -82.18687
   74    72 S   HC   _H30    92     1.09758   111.63641   158.89265
   75    72 S   HC   _H31    93     1.09418   111.89626    40.30546
   76    68 S   CM   _C11    62     1.33952   131.33017   129.29677
   77    76 S   HC   _H14    63     1.08527   120.17162  -176.63582
   78    70 S   CT   _C15    70     1.54456   113.97095    47.45483
   79    78 S   HC   _H15    71     1.09636   109.81597  -166.71014
   80    78 S   HC   _H16    72     1.08944   112.74952    76.03433
   81    76 S   CO4  _C12    64     1.46535   124.01752     5.75537
   82    81 S   O    _O33    65     1.22049   123.81331  -146.68429
   83    78 S   CO4  _C16    73     1.52142   112.29248   -48.74021
   84    83 S   O    _O35    74     1.23049   119.43873  -116.50665
   85    81 S   OS   _O34    66     1.35227   109.73601    42.98110
   86    61 S   CT   _C17    75     1.61415   112.99867    55.87630
   87    85 S   CT   _C13    67     1.44504   116.66381   -97.52789
   88    86 S   CT   _C26    78     1.56491   113.15071    92.80666
   89    88 S   HC   _H20    79     1.09484   111.51698   -42.61993
   90    88 S   HC   _H21    80     1.09307   112.34989  -161.88246
   91    88 S   HC   _H22    81     1.08706   115.05313    80.43317
   92    87 S   CT   _C27    82     1.54593   107.76093   -70.80811
   93    92 S   HC   _H23    83     1.09657   110.70003   -46.52715
   94    92 S   HC   _H24    84     1.09425   112.18503  -167.20411
   95    92 S   HC   _H25    85     1.09545   111.43629    71.60495
   96    87 S   CT   _C28    86     1.53652   104.96267   175.67949
   97    96 S   HC   _H26    87     1.09760   110.22308    58.96821
   98    96 S   HC   _H27    88     1.09057   112.17514   -57.53624
   99    96 S   HC   _H28    89     1.09317   112.77950   178.86323
  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   9   5   4   3
  14   7   2   1   1   9   3   9  20   7  11  18   6   4  16   7
   6  17   5   5   2   1   1   4   2  12   6   2  22   8   3   1
   1   1  21  15   5  23   9   7   2   1   1   5   3  10   5   4
   5   2   7   2   9   4   8   3   2   1   1   7   3   2   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    86    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    61    83    86    50    51    88    52  
   38    39    40    44    86    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    86    50    51  
   40    41    50  
   41    42    43    45    65    44    47    50    52  
   42    43    45    46    56    60    65    66    44    47    48    49    58    86    50    51    52    53    54    55  
   43    45    65    44    47    50    52  
   45    46    56    57    60    65    66    44    47    50    52  
   47    48    49    58    59    61    83    86    50    51    88    63    52    53    54    55    45    65  
   46    56    57    60    65    66  
   56    57    60    65  
   48    49    58    59    61    62    67    86    50    51    63    64    52    53    54    55  
   49    58    59    61    50    63    52  
   58    59    61    50    63    52  
   51    88    89    90    91    52    53    54    55    58    61    62    67    78    83    84    86  
   88    52    61    83    86  
   53    54    55    58    86  
   54    55  
   55  
    0  
   57    60    65    66  
   60    65  
   59    61    62    67    68    70    83    86    88    72    63    64  
   61    62    67    86    63    64  
   65    66  
   62    67    68    69    76    87    70    71    78    83    84    86    88    89    90    91    72    73    74    75    63    64  
   67    68    70    83    86    88    72    63  
   64    67    86  
    0  
   66  
    0  
   68    69    76    77    81    85    87    70    71    78    79    80    83    86    88    92    96    72    73    74    75  
   69    76    77    81    82    85    87    70    71    78    86    72    73    74    75  
   76    77    81    70    72  
   71    78    79    80    83    84    86    92    93    94    95    96    97    98    99    72    73    74    75    76    81    85    87  
   78    79    80    83    92    96    72    85    87  
   73    74    75    76    78    86    87  
   74    75  
   75  
    0  
   77    81    82    85    87  
   81    82    85  
   79    80    83    84    86    88    92    96    85    87  
   80    83    84    86    87  
   83    84    86    87  
   82    85    87    92    96  
   85    87  
   84    86    88    89    90    91    87  
   86    88  
   87    92    93    94    95    96    97    98    99  
   88    89    90    91  
   92    93    94    95    96    97    98    99  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97    98    99  
   94    95    96  
   95    96  
   96  
   97    98    99  
   98    99  
   99  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   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   317.000  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    65   546.000  1.367
   45    46   367.000  1.080
   45    56   546.000  1.367
   56    57   367.000  1.080
   56    60   340.000  1.360
   60    65   340.000  1.360
   65    66   367.000  1.080
   44    47   268.000  1.529
   44    50   268.000  1.529
   44    52   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   268.000  1.529
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   320.000  1.410
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    86   268.000  1.529
   67    68   317.000  1.510
   67    70   268.000  1.529
   67    72   268.000  1.529
   68    69   340.000  1.080
   68    76   549.000  1.340
   76    77   340.000  1.080
   76    81   320.000  1.462
   81    82   570.000  1.229
   81    85   214.000  1.327
   85    87   320.000  1.410
   87    70   268.000  1.529
   87    92   268.000  1.529
   87    96   268.000  1.529
   70    71   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   317.000  1.522
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    50   268.000  1.529
   86    88   268.000  1.529
   50    51   570.000  1.307
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    64   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    50    44    58.35000  112.70000
   33    50    86    58.35000  112.70000
   33    50    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    65    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    44    52    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    56    70.00000  107.30000
   43    65    60    70.00000  110.60000
   43    65    66    35.00000  132.10000
   45    56    57    35.00000  132.10000
   45    56    60    70.00000  110.60000
   56    45    46    35.00000  125.70000
   56    60    65    70.00000  106.50000
   60    56    57    35.00000  113.40000
   60    65    66    35.00000  113.40000
   65    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    58    58.35000  112.70000
   44    50    86    58.35000  112.70000
   44    50    51    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   47    58    59    37.50000  110.70000
   47    58    61    58.35000  112.70000
   47    58    63    50.00000  109.50000
   49    47    48    33.00000  107.80000
   58    47    48    37.50000  110.70000
   58    47    49    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    67    58.35000  112.70000
   58    61    86    58.35000  112.70000
   58    63    64    55.00000  108.50000
   61    58    59    37.50000  110.70000
   61    67    68    70.00000  112.02700
   61    67    70    58.35000  112.70000
   61    67    72    58.35000  112.70000
   61    86    83    63.00000  111.10000
   61    86    50    58.35000  112.70000
   61    86    88    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    68    69    35.00000  117.00000
   67    68    76    70.00000  124.00000
   67    70    87    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    78    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   68    76    77    35.00000  120.00000
   68    76    81    65.00000  118.96000
   76    68    69    35.00000  120.00000
   76    81    82    80.00000  123.72100
   76    81    85    90.00000  111.29400
   81    76    77    40.00000  117.72500
   81    85    87    83.00000  116.90000
   85    81    82    83.00000  123.40000
   85    87    70    50.00000  109.50000
   85    87    92    50.00000  109.50000
   85    87    96    50.00000  109.50000
   87    70    71    37.50000  110.70000
   87    70    78    58.35000  112.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    95    37.50000  110.70000
   87    96    97    37.50000  110.70000
   87    96    98    37.50000  110.70000
   87    96    99    37.50000  110.70000
   70    67    68    70.00000  112.02700
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    83    63.00000  111.10000
   78    70    71    37.50000  110.70000
   78    83    84    80.00000  120.40000
   78    83    86    70.00000  116.00000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    86    50    63.00000  111.10000
   83    86    88    63.00000  111.10000
   86    61    62    37.50000  110.70000
   86    61    67    58.35000  112.70000
   86    83    84    80.00000  120.40000
   86    50    51    50.00000  109.50000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    47    58.35000  112.70000
   88    86    50    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    87    70    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    87    70    58.35000  112.70000
   96    87    92    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   72    67    68    70.00000  112.02700
   72    67    70    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    61    50.00000  109.50000
   52    44    47    58.35000  112.70000
   52    44    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.30150 -1.0 2.0
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   63    58    61    67  -0.17500 -1.0 2.0
   63    58    61    67   0.20800  1.0 3.0
   63    58    61    86   0.86500  1.0 1.0
   63    58    61    86  -0.17500 -1.0 2.0
   63    58    61    86   0.20800  1.0 3.0
   52    44    47    48   0.15000  1.0 3.0
   52    44    47    49   0.15000  1.0 3.0
   52    44    47    58   0.56750  1.0 1.0
   52    44    47    58  -0.07550 -1.0 2.0
   52    44    47    58   0.20000  1.0 3.0
   52    44    50    33   0.56750  1.0 1.0
   52    44    50    33  -0.07550 -1.0 2.0
   52    44    50    33   0.20000  1.0 3.0
   52    44    50    86   0.56750  1.0 1.0
   52    44    50    86  -0.07550 -1.0 2.0
   52    44    50    86   0.20000  1.0 3.0
   52    44    50    51   0.62750  1.0 1.0
   52    44    50    51  -0.30950 -1.0 2.0
   52    44    50    51   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    65    43    41   4.00000 -1.0 2.0
   56    46    45    43   1.10000 -1.0 2.0
   60    57    56    45   1.10000 -1.0 2.0
   60    66    65    43   1.10000 -1.0 2.0
   67    69    68    76   1.10000 -1.0 2.0
   81    77    76    68   1.10000 -1.0 2.0
   76    85    81    82  10.50000 -1.0 2.0
   78    86    83    84  10.50000 -1.0 2.0
END
