* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    327     592
    1     0 S   NP   _N1_     1    28.90459    94.35368   -25.21787
    2     1 S   H    _HN1     2     1.02829    22.06955  -179.61896
    3     1 S   H    _H1_     3     1.02786   114.16950  -101.79116
    4     1 S   H    _H2_     4     1.02949    85.11261     6.16796
    5     1 S   CT   _CA1     5     1.50114   122.46288   117.28773
    6     5 S   HC   _HA1     6     1.09572   105.19054    80.23916
    7     5 S   CO3  _C1_     7     1.53789   112.48721   -39.99718
    8     7 S   O2Z  _O11     8     1.26373   115.00276   -41.87742
    9     7 S   O2Z  _O12     9     1.26241   114.95215   137.26054
   10     5 S   CT   _CB1    10     1.53082   107.42600  -161.75465
   11    10 S   HC   HB11    11     1.09834   109.37873   -49.52296
   12    10 S   HC   HB12    12     1.09812   110.44304    67.09132
   13    10 S   CT   _CG1    13     1.52994   112.60657  -170.48979
   14    13 S   HC   HG11    14     1.09579   110.64999   -65.87004
   15    13 S   HC   HG12    15     1.09671   109.76466    53.36038
   16    13 S   C    _CD1    16     1.51801   112.21356   173.83732
   17    16 S   O    _OE1    17     1.22733   123.28169     7.97821
   18    16 S   N    _N2_    18     1.38656   111.68505  -172.16782
   19    18 S   H    _HN2    19     1.01580   118.93294     1.67257
   20    18 S   CT1  _CA2    20     1.46191   123.38709   177.28444
   21    20 S   HC   _HA2    21     1.09736   109.35758     3.15275
   22    20 S   C    _C2_    22     1.53565   108.64796  -112.33357
   23    22 S   O    _O2_    23     1.23062   122.26172  -148.09593
   24    20 S   CT   _CB2    32     1.53336   111.61701   125.18084
   25    24 S   HC   HB21    33     1.09522   109.94395    56.19479
   26    24 S   HC   HB22    34     1.09515   110.11037   175.31207
   27    22 S   N    _N3_    24     1.38318   113.72916    39.34903
   28    27 S   H    _HN3    25     1.01580   119.59462    -3.29408
   29    24 S   S    _SG2    35     1.82721   111.53112   -64.77838
   30    27 S   CT   _CA3    26     1.45287   123.23112   177.15036
   31    30 S   HC   HA31    27     1.09549   107.51048   -64.64370
   32    30 S   HC   HA32    28     1.09556   107.98989    51.80137
   33    29 S   CT   _C19    36     1.83160    99.79453  -172.89889
   34    33 S   HC   _H7_    37     1.09589   106.22472    52.96878
   35    30 S   CO3  _C3_    29     1.52964   114.06488   173.79695
   36    35 S   O2Z  _O31    30     1.26378   116.06546    -0.68386
   37    35 S   O2Z  _O32    31     1.26428   114.41367   179.37693
   38    33 S   CT   _C20    38     1.52448   112.93686   -64.72421
   39    38 S   HC   _H26    39     1.09554   112.07927    75.15860
   40    38 S   HC   _H27    40     1.09576   111.14852   -46.10726
   41    38 S   CT   _C21    41     1.53683   102.07972  -166.03033
   42    41 S   HC   _H8_    42     1.10040   105.52073   -67.10685
   43    41 S   CM   _C22    43     1.51702   115.25201   175.99220
   44    41 S   CT   _C17    53     1.56950   102.52383    46.61539
   45    43 S   CM   _C23    44     1.44533   117.91863   152.38557
   46    45 S   HC   _H28    45     1.08494   118.97244     0.55426
   47    44 S   CT   _C16    54     1.53698   112.52460  -156.72910
   48    47 S   HC   _H24    55     1.09651   110.82079   -56.70587
   49    47 S   HC   _H25    56     1.09726   108.75597  -170.35321
   50    44 S   CT   _C27    93     1.55415   110.49247    84.46316
   51    50 S   HC   _H32    94     1.09471   112.22386   -56.04370
   52    50 S   HC   _H33    95     1.09653   111.13476  -176.54062
   53    50 S   HC   _H34    96     1.09568   111.50635    64.94608
   54    45 S   CM   _C24    46     1.33635   121.43688  -178.99206
   55    54 S   HC   _H29    47     1.08350   121.54957  -179.98022
   56    47 S   CT   _C15    57     1.52652   116.02718    67.87618
   57    56 S   HC   _H22    58     1.09549   106.45308   155.64947
   58    56 S   HC   _H23    59     1.09779   108.71258   -91.05830
   59    54 S   CO4  _C25    48     1.47499   120.61920     0.38155
   60    59 S   O    _O33    49     1.22648   120.62972  -179.22570
   61    56 S   CT   _C14    60     1.54799   116.29558    31.23697
   62    61 S   HC   _H6_    61     1.09812   105.74879   -94.09472
   63    59 S   OS   _O34    50     1.36817   117.10924     1.11347
   64    61 S   CT   _C13    62     1.54672   111.19893    22.36586
   65    64 S   HC   _H5_    63     1.09735   108.61445  -173.63139
   66    43 S   CM   _C26    51     1.34005   125.42790   -24.35454
   67    66 S   HC   _H30    52     1.08029   126.29033    -1.97883
   68    64 S   CT   _C12    64     1.53958   110.46630    72.21851
   69    68 S   HC   _H20    65     1.09267   111.94378   -65.48164
   70    68 S   HC   _H21    66     1.09624   110.28087   176.28870
   71    33 S   CT   _C18    90     1.57391   115.08876   174.35798
   72    68 S   CT   _C11    67     1.52744   111.15034    56.80676
   73    72 S   HC   _H18    68     1.09579   108.24046    67.88698
   74    72 S   HC   _H19    69     1.09724   108.69889  -177.30478
   75    71 S   OH   _O35    91     1.43105   109.54648    25.27938
   76    75 S   HO   _H31    92     0.97331   107.47079   -50.52329
   77    72 S   CT   _C10    70     1.54224   113.39818   -55.48240
   78    77 S   HC   _H4_    71     1.09830   106.58037   -66.91761
   79    77 S   CT   _C9_    72     1.54105   109.97269   177.76375
   80    79 S   HC   _H16    73     1.09794   110.18869    50.41465
   81    79 S   HC   _H17    74     1.09761   109.84482   164.99150
   82    79 S   CT   _C8_    75     1.52826   113.36484   -72.32774
   83    82 S   HC   _H3_    76     1.09539   109.80736    69.98839
   84    82 S   CT   _C7_    77     1.52578   112.22367   -52.34598
   85    84 S   HC   _H14    78     1.09630   110.08423   -72.93936
   86    84 S   HC   _H15    79     1.09751   109.24530   172.69669
   87    82 S   OH   _O36    88     1.42528   108.42628  -173.36440
   88    87 S   HO   _H35    89     0.97245   107.53462  -179.64668
   89    84 S   CT   _C6_    80     1.52973   112.37334    51.09285
   90    89 S   HC   _H12    81     1.09442   107.16746    70.31154
   91    89 S   HC   _H13    82     1.09753   108.83737  -175.62628
   92    61 S   CT   _C5_    83     1.57988   113.14596   150.47597
   93    92 S   CT   _C4_    84     1.55431   109.10424    46.13085
   94    93 S   HC   _H9_    85     1.09436   112.10611   -67.61917
   95    93 S   HC   _H10    86     1.09308   112.92081   172.83837
   96    93 S   HC   _H11    87     1.09611   110.66039    52.84716
  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
  17   8   2   1   1  13   6   5  20   7  12  19   8   4  15   7
   6   7   3   2   1   5   3  12   5   4   4   2  21   8   2  14
   7   1   1  11   6   5   4  11   5   4   1   1  16   7  12   6
   5  10   6   9   6   5   2   1   7   3   2   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    71    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    64    71    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    61    64    65    68    71    75    76    50  
   38    39    40    41    44    64    71    75  
   36    37  
   37  
    0  
   39    40    41    42    43    45    66    44    47    64    71    75    50  
   40    41    42    43    44    71  
   41    42    43    44    71  
   42    43    45    46    54    63    66    67    44    47    48    49    56    64    71    75    50    51    52    53  
   43    45    66    44    47    71    50  
   45    46    54    55    59    63    66    67    44    47    71    50  
   47    48    49    56    57    58    61    64    65    68    71    75    76    50    51    52    53    45    66  
   46    54    55    59    60    63    66    67  
   54    55    59    66  
   48    49    56    57    58    61    62    64    92    71    75    50    51    52    53  
   49    56    57    58    61    71    50  
   56    57    58    61    71    50  
   51    52    53    56    64    71    75  
   52    53    71  
   53    71  
   71  
   55    59    60    63    66  
   59    60    63  
   57    58    61    62    64    65    68    77    89    92    93    71  
   58    61    62    64    92  
   61    62    64    92  
   60    63    66    67  
   63    66  
   62    64    65    68    69    70    72    77    78    79    84    89    90    91    92    93    94    95    96    71    75  
   64    65    68    77    89    92    93    71  
   66    67  
   65    68    69    70    72    73    74    77    89    92    93    71    75    76  
   68    69    70    72    92    71    75  
   67  
    0  
   69    70    72    73    74    77    78    79    92    71    75  
   70    72    73    74    77    71  
   72    73    74    77    71  
   75    76    72    92  
   73    74    77    78    79    80    81    82    89    92    93  
   74    77    78    79    92  
   77    78    79    92  
   76  
    0  
   78    79    80    81    82    83    84    89    90    91    92    93    94    95    96    87  
   79    80    81    82    89    92    93  
   80    81    82    83    84    85    86    89    92    93    87    88  
   81    82    83    84    92    87  
   82    83    84    92    87  
   83    84    85    86    89    90    91    92    87    88  
   84    85    86    89    87    88  
   85    86    89    90    91    92    93    87    88  
   86    89    90    91    92    87  
   89    90    91    92    87  
   88    89  
    0  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   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   0.107500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   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   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.030000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   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    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    71   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   268.000  1.529
   43    45   380.000  1.444
   43    66   549.000  1.340
   45    46   340.000  1.080
   45    54   549.000  1.340
   54    55   340.000  1.080
   54    59   320.000  1.462
   59    60   570.000  1.229
   59    63   214.000  1.327
   63    66   440.000  1.360
   66    67   340.000  1.080
   44    47   268.000  1.529
   44    71   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    92   268.000  1.529
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    92   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    87   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   87    88   553.000  0.945
   71    75   320.000  1.410
   75    76   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  111.63000
   29    33    71    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    71    44    58.35000  112.70000
   33    71    64    58.35000  112.70000
   33    71    75    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.02700
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    70.00000  124.00000
   41    43    66    70.00000  124.00000
   41    44    47    58.35000  112.70000
   41    44    71    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    54    70.00000  123.01800
   43    66    63    80.00000  120.01400
   43    66    67    35.00000  120.00000
   45    54    55    35.00000  120.00000
   45    54    59    65.00000  118.96000
   54    45    46    35.00000  120.00000
   54    59    60    80.00000  123.72100
   54    59    63    90.00000  111.29400
   59    54    55    40.00000  117.72500
   59    63    66    90.00000  114.22900
   63    59    60    83.00000  123.40000
   63    66    67    55.00000  109.52600
   66    43    45    70.00000  123.01800
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.02700
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    71    64    58.35000  112.70000
   44    71    75    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    64    58.35000  112.70000
   56    61    92    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    68    58.35000  112.70000
   61    64    71    58.35000  112.70000
   61    92    77    58.35000  112.70000
   61    92    89    58.35000  112.70000
   61    92    93    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    71    75    50.00000  109.50000
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    92    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    58.35000  112.70000
   77    92    89    58.35000  112.70000
   77    92    93    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    58.35000  112.70000
   79    82    87    50.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    89    58.35000  112.70000
   82    87    88    55.00000  108.50000
   84    82    83    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    92    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    92    93    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    61    62    37.50000  110.70000
   92    61    64    58.35000  112.70000
   92    77    78    37.50000  110.70000
   92    77    79    58.35000  112.70000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   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
   87    82    83    35.00000  109.50000
   87    82    84    50.00000  109.50000
   71    33    34    37.50000  110.70000
   71    33    38    58.35000  112.70000
   71    44    47    58.35000  112.70000
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   71    75    76    55.00000  108.50000
   50    44    47    58.35000  112.70000
   50    44    71    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    71   0.01700  1.0 1.0
   24    29    33    71  -0.23550 -1.0 2.0
   24    29    33    71   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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    71    44   0.44750  1.0 1.0
   29    33    71    44  -0.17800 -1.0 2.0
   29    33    71    44   0.20200  1.0 3.0
   29    33    71    64   0.44750  1.0 1.0
   29    33    71    64  -0.17800 -1.0 2.0
   29    33    71    64   0.20200  1.0 3.0
   29    33    71    75   0.56750  1.0 1.0
   29    33    71    75  -0.07550 -1.0 2.0
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   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    71    33   0.56750  1.0 1.0
   50    44    71    33  -0.07550 -1.0 2.0
   50    44    71    33   0.20000  1.0 3.0
   50    44    71    64   0.56750  1.0 1.0
   50    44    71    64  -0.07550 -1.0 2.0
   50    44    71    64   0.20000  1.0 3.0
   50    44    71    75   0.86500  1.0 1.0
   50    44    71    75  -0.17500 -1.0 2.0
   50    44    71    75   0.20800  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
   41    45    43    66   1.10000 -1.0 2.0
   43    46    45    54   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   54    63    59    60  10.50000 -1.0 2.0
   63    67    66    43   1.10000 -1.0 2.0
END
