* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    190    310     574
    1     0 S   NP   _N1_     1    29.18026    90.86516   -21.21601
    2     1 S   H    _HN1     2     1.02947   111.17514    36.13756
    3     1 S   H    _H1_     3     1.02848    13.02007   110.72295
    4     1 S   H    _H2_     4     1.02794    94.84503   -75.49394
    5     1 S   CT   _CA1     5     1.50092   118.66236   166.07240
    6     5 S   HC   _HA1     6     1.09601   105.21879    48.22758
    7     5 S   CO3  _C1_     7     1.53703   112.00588   -71.59997
    8     7 S   O2Z  _O11     8     1.26392   115.31426   -57.38729
    9     7 S   O2Z  _O12     9     1.26237   114.72170   121.61526
   10     5 S   CT   _CB1    10     1.53011   107.37174   165.53981
   11    10 S   HC   HB11    11     1.09821   109.09570   -53.60571
   12    10 S   HC   HB12    12     1.09831   110.52711    62.72882
   13    10 S   CT   _CG1    13     1.53104   112.80390  -174.92750
   14    13 S   HC   HG11    14     1.09605   110.17712   -61.82916
   15    13 S   HC   HG12    15     1.09598   110.39387    57.45350
   16    13 S   C    _CD1    16     1.51795   111.56492   177.27739
   17    16 S   O    _OE1    17     1.22798   122.85522   -19.97150
   18    16 S   N    _N2_    18     1.38621   112.19698   160.84289
   19    18 S   H    _HN2    19     1.01560   119.29179     2.00184
   20    18 S   CT1  _CA2    20     1.46309   122.93332  -175.68484
   21    20 S   HC   _HA2    21     1.09735   109.22020   -15.13178
   22    20 S   C    _C2_    22     1.53317   108.54823  -131.00090
   23    22 S   O    _O2_    23     1.23011   122.26187  -145.90638
   24    20 S   CT   _CB2    32     1.53581   111.62946   106.52377
   25    24 S   HC   HB21    33     1.09546   109.72686    60.36804
   26    24 S   HC   HB22    34     1.09521   110.29391   179.19570
   27    22 S   N    _N3_    24     1.38516   113.32405    41.42899
   28    27 S   H    _HN3    25     1.01535   118.88210    -0.60781
   29    24 S   S    _SG2    35     1.82600   111.69946   -60.42402
   30    27 S   CT   _CA3    26     1.45445   123.41699   175.05510
   31    30 S   HC   HA31    27     1.09526   109.18791    25.32329
   32    30 S   HC   HA32    28     1.09494   107.13715   142.32177
   33    29 S   CT   _C15    36     1.85732    99.99338   174.69492
   34    33 S   HC   _H6_    37     1.09621   107.20440   -14.09541
   35    30 S   CO3  _C3_    29     1.52930   113.13877   -98.11644
   36    35 S   O2Z  _O31    30     1.26401   115.41472   -44.35474
   37    35 S   O2Z  _O32    31     1.26356   114.97620   136.57910
   38    33 S   CM   _C14    38     1.51103   103.75093   100.32665
   39    38 S   HC   _H18    39     1.08848   117.24973   -80.92304
   40    38 S   CMA  _C13    40     1.34775   123.08369    96.98285
   41    40 S   OM   _O38    41     1.25926   130.85026  -177.95483
   42    40 S   CM   _C12    42     1.46386   117.62715     2.34518
   43    42 S   HC   _H17    43     1.09004   117.85976  -169.83844
   44    42 S   CM   _C11    44     1.35091   123.12457    16.97055
   45    44 S   CT   _C10    45     1.50756   119.60996   167.15526
   46    45 S   HC   _H15    46     1.09792   107.98327   -93.14519
   47    45 S   HC   _H16    47     1.09703   110.98397    23.07711
   48    45 S   CT   _C9_    48     1.52038   114.13578   146.11026
   49    48 S   HC   _H13    49     1.09631   108.29409   173.16890
   50    48 S   HC   _H14    50     1.09765   109.51394   -71.04223
   51    48 S   CT   _C8_    51     1.53797   111.80284    51.64395
   52    51 S   HC   _H5_    52     1.09381   108.04306    60.91167
   53    51 S   CT   _C7_    53     1.53966   110.18260  -179.55107
   54    53 S   HC   _H4_    54     1.10082   106.03865    61.00917
   55    51 S   CT   _C17    67     1.56069   109.25429   -59.51046
   56    55 S   F    F1__    68     1.38328   103.36055   -57.63568
   57    53 S   CT   _C6_    55     1.52593   118.34184   -57.17100
   58    57 S   HC   _H11    56     1.09650   110.79254   -41.29629
   59    57 S   HC   _H12    57     1.09524   111.51459    78.16608
   60    33 S   CT   _C16    69     1.59162   117.03105  -135.06249
   61    57 S   CT   _C5_    58     1.54847   104.94283  -159.91456
   62    61 S   HC   _H3_    59     1.09736   106.29704   124.38671
   63    60 S   CT   _C27    70     1.56180   106.99942   166.09792
   64    63 S   HC   _H31    71     1.09381   112.08853   -47.00881
   65    63 S   HC   _H32    72     1.09396   112.43664  -168.86076
   66    63 S   HC   _H33    73     1.09733   112.08572    71.30347
   67    61 S   CT   _C21    60     1.56761   106.31448     6.79792
   68    61 S   CT   _C4_    94     1.52646   112.21720  -119.44884
   69    68 S   HC   _H8_    95     1.09446   112.06224    55.87612
   70    68 S   HC   _H9_    96     1.09542   110.26326   -63.60450
   71    68 S   HC   _H10    97     1.09469   110.78150   177.14638
   72    53 S   CT   _C20    61     1.54683   113.49898  -179.84677
   73    67 S   CO4  _C22    80     1.54267   111.73125   144.70524
   74    73 S   O    _O33    81     1.23340   121.68107   -22.86609
   75    67 S   OH   _O36    92     1.42195   110.98887   -98.55640
   76    75 S   HO   _H26    93     0.97306   110.45451    48.19366
   77    72 S   CT   _C19    62     1.54422   106.32328   -62.77215
   78    77 S   HC   _H19    63     1.09719   110.00391   -64.25876
   79    77 S   HC   _H20    64     1.09512   109.65245   178.51325
   80    72 S   CT   _C26    76     1.55246   112.96326    58.97887
   81    80 S   HC   _H27    77     1.09465   112.51046    66.40286
   82    80 S   HC   _H28    78     1.09129   113.42101   -53.72170
   83    80 S   HC   _H29    79     1.09609   110.52633  -173.80824
   84    73 S   CT   _C23    82     1.52258   117.59312   158.41627
   85    84 S   HC   _H21    83     1.09161   109.36085    55.46887
   86    84 S   HC   _H22    84     1.09430   109.02466   -66.40462
   87    77 S   CT   _C18    65     1.54617   113.32178    56.27852
   88    87 S   HC   _H7_    66     1.09414   106.48814  -169.81439
   89    84 S   OS   _O34    85     1.43054   108.81836   174.78368
   90    87 S   OH   _O37    74     1.41973   108.95257    75.99100
   91    90 S   HO   _H30    75     0.97241   107.91876    57.73517
   92    89 S   CO4  _C24    86     1.36235   115.33428  -177.18110
   93    92 S   O    _O35    87     1.22337   126.25368     0.24389
   94    92 S   CT   _C25    88     1.49838   109.60250  -179.82417
   95    94 S   HC   _H23    89     1.09289   109.83228   -61.10980
   96    94 S   HC   _H24    90     1.09380   109.35881   179.83929
   97    94 S   HC   _H25    91     1.09290   109.83784    60.80807
  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
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4   2
   1   1  21   6   2   1   1  15  10   5   4   1  10   5   4   4
   2   1   1   6   3   2   3   2   6   1   1   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    87    55    56    60    63    64    65    66  
   38    39    40    44    55    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    63  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    63  
   44    45    60  
   45    46    47    48    49    50    51    87    55    56    60    63    64    65    66  
   46    47    48    49    50    51    52    53    55    60    63  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    72    87    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    72    77    87    88    55    56    60    63    90    80  
   53    54    57    72    87    55    56    60  
   54    57    58    59    61    62    67    72    77    78    79    87    55    56    60    80    81    82    83    73    75    68  
   57    58    59    61    67    72    77    55    80  
   56    60    63    64    65    66    90    91    57    72    77    78    79    87    88  
   60    63    90    77    87    88  
   58    59    61    62    67    72    77    80    73    75    68    69    70    71  
   59    61    62    67    72    68  
   61    62    67    72    68  
   63    64    65    66    90    77    87    88  
   62    67    72    77    80    73    74    84    75    76    68    69    70    71  
   67    72    73    75    68    69    70    71  
   64    65    66    87  
   65    66  
   66  
    0  
   72    77    78    79    87    80    81    82    83    73    74    84    85    86    89    75    76    68    69    70    71  
   69    70    71    72    73    75  
   70    71  
   71  
    0  
   77    78    79    87    88    90    80    81    82    83    73    74    84    75    76  
   74    84    85    86    89    92    75    76    77    80  
   84    85    86    89    75  
   76    77    80    84  
    0  
   78    79    87    88    90    91    80    81    82    83  
   79    87    88    90    80  
   87    88    90    80  
   81    82    83    87  
   82    83  
   83  
    0  
   85    86    89    92    93    94  
   86    89    92  
   89    92  
   88    90    91  
   90    91  
   92    93    94    95    96    97  
   91  
    0  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    72   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    68   268.000  1.529
   67    72   268.000  1.529
   67    73   317.000  1.522
   67    75   320.000  1.410
   72    77   268.000  1.529
   72    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   268.000  1.529
   87    88   340.000  1.090
   87    55   268.000  1.529
   87    90   320.000  1.410
   55    56   367.000  1.332
   55    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   90    91   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   320.000  1.410
   89    92   214.000  1.327
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   75    76   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    63    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    72    58.35000  112.70000
   51    55    87    58.35000  112.70000
   51    55    56    50.00000  109.50000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    72    67    58.35000  112.70000
   53    72    77    58.35000  112.70000
   53    72    80    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    67    73    63.00000  111.10000
   61    67    75    50.00000  109.50000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    37.50000  110.70000
   67    72    77    58.35000  112.70000
   67    72    80    58.35000  112.70000
   67    73    74    80.00000  120.40000
   67    73    84    70.00000  116.00000
   67    75    76    55.00000  108.50000
   72    53    54    37.50000  110.70000
   72    53    57    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    87    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   77    87    88    37.50000  110.70000
   77    87    55    58.35000  112.70000
   77    87    90    50.00000  109.50000
   79    77    78    33.00000  107.80000
   87    77    78    37.50000  110.70000
   87    77    79    37.50000  110.70000
   87    55    56    50.00000  109.50000
   87    55    60    58.35000  112.70000
   87    90    91    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    87    88    37.50000  110.70000
   55    60    63    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    50.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    55    50.00000  109.50000
   80    72    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    67    72    63.00000  111.10000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    89    90.00000  108.74100
   84    73    74    80.00000  120.40000
   84    89    92    83.00000  116.90000
   86    84    85    33.00000  107.80000
   89    84    85    35.00000  109.50000
   89    84    86    35.00000  109.50000
   89    92    93    83.00000  123.40000
   89    92    94    81.00000  111.40000
   92    94    95    35.00000  109.50000
   92    94    96    35.00000  109.50000
   92    94    97    35.00000  109.50000
   94    92    93    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   75    67    72    50.00000  109.50000
   75    67    73    90.00000  109.61100
   68    61    62    37.50000  110.70000
   68    61    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.56750  1.0 1.0
   29    33    60    44  -0.07550 -1.0 2.0
   29    33    60    44   0.20000  1.0 3.0
   29    33    60    55   0.44750  1.0 1.0
   29    33    60    55  -0.17800 -1.0 2.0
   29    33    60    55   0.20200  1.0 3.0
   29    33    60    63   0.44750  1.0 1.0
   29    33    60    63  -0.17800 -1.0 2.0
   29    33    60    63   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
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   55    51    53    54   0.15000  1.0 3.0
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   55    51   -53    72   0.20000  1.0 3.0
   55    87    90    91  -0.11600  1.0 1.0
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   55    60    63    66   0.15000  1.0 3.0
   56    55    60    33   0.39650  1.0 1.0
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   56    55    60    63   0.39650  1.0 1.0
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   60    33    38    39   0.00000  1.0 1.0
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   90    87    55    51   0.86500  1.0 1.0
   90    87    55    51  -0.17500 -1.0 2.0
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   90    87    55    56   1.44150  1.0 1.0
   90    87    55    56  -0.96950 -1.0 2.0
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   90    87    55    60   0.86500  1.0 1.0
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   73    67    72    53  -0.95700  1.0 1.0
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   73    67    72    77  -0.95700  1.0 1.0
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   73    67    72    77   0.29450  1.0 3.0
   73    67    72    80  -0.95700  1.0 1.0
   73    67    72    80  -0.18200 -1.0 2.0
   73    67    72    80   0.29450  1.0 3.0
   73    67    75    76   0.91850  1.0 1.0
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   73    84    89    92  -1.80650  1.0 1.0
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   73    84    89    92   0.03650  1.0 3.0
   74    73    84    85   0.00000  1.0 1.0
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   74    73    84    89   0.30150 -1.0 2.0
   84    89    92    93   3.00000 -1.0 2.0
   84    89    92    94   1.63150  1.0 1.0
   84    89    92    94   2.92000 -1.0 2.0
   85    84    89    92   0.08050  1.0 3.0
   86    84    89    92   0.08050  1.0 3.0
   89    92    94    95   0.00000  1.0 1.0
   89    92    94    96   0.00000  1.0 1.0
   89    92    94    97   0.00000  1.0 1.0
   93    92    94    95   0.00000  1.0 1.0
   93    92    94    96   0.00000  1.0 1.0
   93    92    94    97   0.00000  1.0 1.0
   75    67    72    53   0.86500  1.0 1.0
   75    67    72    53  -0.17500 -1.0 2.0
   75    67    72    53   0.20800  1.0 3.0
   75    67    72    77   0.86500  1.0 1.0
   75    67    72    77  -0.17500 -1.0 2.0
   75    67    72    77   0.20800  1.0 3.0
   75    67    72    80   0.86500  1.0 1.0
   75    67    72    80  -0.17500 -1.0 2.0
   75    67    72    80   0.20800  1.0 3.0
   75    67    73    74   0.30150 -1.0 2.0
   75    67    73    84   0.55300  1.0 1.0
   75    67    73    84   1.25850 -1.0 2.0
   75    67    73    84  -0.23600  1.0 3.0
   68    61    67    72   0.56750  1.0 1.0
   68    61    67    72  -0.07550 -1.0 2.0
   68    61    67    72   0.20000  1.0 3.0
   68    61    67    73  -0.95700  1.0 1.0
   68    61    67    73  -0.18200 -1.0 2.0
   68    61    67    73   0.29450  1.0 3.0
   68    61    67    75   0.86500  1.0 1.0
   68    61    67    75  -0.17500 -1.0 2.0
   68    61    67    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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   67    84    73    74  10.50000 -1.0 2.0
   89    94    92    93  10.50000 -1.0 2.0
END
