* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    192    306     578
    1     0 S   NP   _N1_     1    30.20539    96.40683   -14.72864
    2     1 S   H    _HN1     2     1.02940    93.54695    28.39116
    3     1 S   H    _H1_     3     1.02825    63.06049   135.52543
    4     1 S   H    _H2_     4     1.02763    54.23640   -81.88870
    5     1 S   CT   _CA1     5     1.50405   155.98114  -144.34746
    6     5 S   HC   _HA1     6     1.09575   104.91276    -9.92945
    7     5 S   CO3  _C1_     7     1.54023   112.50522  -129.15156
    8     7 S   O2Z  _O11     8     1.26448   114.98809   -26.22599
    9     7 S   O2Z  _O12     9     1.26258   115.10315   151.99715
   10     5 S   CT   _CB1    10     1.53102   107.12996   107.81339
   11    10 S   HC   HB11    11     1.09822   109.25533   -44.62525
   12    10 S   HC   HB12    12     1.09809   110.21378    71.74763
   13    10 S   CT   _CG1    13     1.53097   113.17598  -165.66070
   14    13 S   HC   HG11    14     1.09435   110.50877   -64.47592
   15    13 S   HC   HG12    15     1.09642   110.09114    54.56787
   16    13 S   C    _CD1    16     1.51991   112.11783   174.17634
   17    16 S   O    _OE1    17     1.22782   123.05622   -13.35548
   18    16 S   N    _N2_    18     1.38625   112.02310   168.11477
   19    18 S   H    _HN2    19     1.01587   119.02352    -2.22897
   20    18 S   CT1  _CA2    20     1.46257   123.43191   179.58931
   21    20 S   HC   _HA2    21     1.09742   109.15089   -12.44302
   22    20 S   C    _C2_    22     1.53432   108.48281  -127.97037
   23    22 S   O    _O2_    23     1.23030   122.18332  -147.61425
   24    20 S   CT   _CB2    32     1.53563   111.97085   109.53452
   25    24 S   HC   HB21    33     1.09397   110.38602    60.55169
   26    24 S   HC   HB22    34     1.09561   110.11236   178.00472
   27    22 S   N    _N3_    24     1.38500   113.43688    39.84396
   28    27 S   H    _HN3    25     1.01533   118.83906    -0.95203
   29    24 S   S    _SG2    35     1.82729   111.63016   -63.60215
   30    27 S   CT   _CA3    26     1.45447   123.56002   175.19356
   31    30 S   HC   HA31    27     1.09518   109.34317    22.21026
   32    30 S   HC   HA32    28     1.09500   107.09382   139.20690
   33    29 S   CT   _C20    36     1.86037   101.11064   136.96054
   34    33 S   HC   _H11    37     1.09669   106.00558    37.35292
   35    30 S   CO3  _C3_    29     1.52913   113.04467  -101.35656
   36    35 S   O2Z  _O31    30     1.26408   115.37851   -45.82468
   37    35 S   O2Z  _O32    31     1.26355   115.01362   135.11751
   38    33 S   CT   _C19    38     1.54754   112.20090   -81.50383
   39    38 S   HC   _H10    39     1.09416   108.34704   171.98960
   40    38 S   CO4  _C18    40     1.53355   107.66294   -69.99768
   41    40 S   O    _O35    41     1.23026   120.60556   109.00038
   42    38 S   OS   _O36    93     1.41995   111.28239    54.39485
   43    40 S   CT   _C17    42     1.55551   115.82493   -64.99797
   44    42 S   CT   _C21    94     1.42228   113.30210   162.34897
   45    44 S   HC   _H19    95     1.09335   108.13774   178.59891
   46    44 S   HC   _H20    96     1.09358   111.25954    59.62688
   47    44 S   HC   _H21    97     1.09415   110.38537   -62.89902
   48    43 S   CT   _C6_    43     1.57076   101.04229    64.73082
   49    48 S   HC   _H4_    44     1.09989   106.39920    55.43955
   50    43 S   CT   _C22    89     1.54209   108.14806   -56.25807
   51    50 S   HC   _H22    90     1.08675   113.27345  -170.75529
   52    50 S   HC   _H23    91     1.09159   113.72778    68.85965
   53    50 S   HC   _H24    92     1.09637   110.75562   -50.08851
   54    48 S   CT   _C7_    45     1.53266   112.06334   169.34412
   55    54 S   HC   _H15    46     1.09401   110.55895    65.81948
   56    54 S   HC   _H16    47     1.09586   109.44018  -176.86001
   57    33 S   CT   _C5_    83     1.56897   111.03680   154.81480
   58    57 S   HC   _H3_    84     1.09630   106.95772  -170.34274
   59    54 S   CT   _C8_    48     1.53800   111.24868   -59.07501
   60    59 S   HC   _H5_    49     1.09833   107.38659  -177.70228
   61    57 S   CT   _C4_    85     1.53675   111.70014   -56.30031
   62    61 S   HC   _H12    86     1.09438   112.22877    77.39140
   63    61 S   HC   _H13    87     1.09541   110.89361   -44.04908
   64    61 S   HC   _H14    88     1.09525   110.62689  -162.29304
   65    59 S   CT   _C9_    50     1.54666   113.20361    59.26072
   66    65 S   CT   _C10    51     1.58391   109.67783  -171.85789
   67    66 S   HC   _H6_    52     1.10160   107.07020  -107.56370
   68    65 S   CT   _C25    79     1.55507   106.45302    73.12267
   69    68 S   HC   _H33    80     1.08966   113.40560   -52.47118
   70    68 S   HC   _H34    81     1.09133   112.99807  -175.39364
   71    68 S   HC   _H35    82     1.09781   110.40373    65.16482
   72    66 S   CT   _C11    53     1.53690   112.12043     4.28661
   73    72 S   HC   _H17    54     1.09719   110.59687   -75.40162
   74    72 S   HC   _H18    55     1.09532   111.20534   167.09342
   75    66 S   CT   _C13    59     1.56338   115.82088   137.06061
   76    72 S   CO4  _C12    56     1.50175   112.15336    44.44550
   77    76 S   O    _O33    57     1.22576   122.94253   133.24320
   78    75 S   CT   _C14    60     1.55074   111.11639    39.32073
   79    78 S   HC   _H7_    61     1.09839   108.09950  -176.37788
   80    75 S   CT   _C24    73     1.54057   116.35118   -89.59021
   81    80 S   HC   _H29    74     1.09744   110.04506  -179.53019
   82    80 S   HC   _H30    75     1.08834   115.23871    59.42431
   83    80 S   HC   _H31    76     1.09561   111.19706   -63.77325
   84    75 S   OH   _O39    77     1.44810   105.93400   156.04351
   85    84 S   HO   _H32    78     0.97257   107.87943  -168.00379
   86    59 S   OS   _O34    58     1.44756   107.29709   -62.78779
   87    78 S   CT   _C15    62     1.55006   113.98570   -52.17047
   88    87 S   HC   _H8_    63     1.09433   109.43828   129.63698
   89    78 S   OS   _O38    68     1.44361   107.45614    68.14751
   90    43 S   CT   _C16    64     1.58793   111.50932  -178.33434
   91    90 S   HC   _H9_    65     1.09141   101.55497   -42.96601
   92    87 S   OH   _O37    66     1.42289   108.61953  -115.90896
   93    92 S   HO   _H25    67     0.97211   108.92206   -50.43976
   94    89 S   CT   _C23    69     1.42240   113.14494   152.91961
   95    94 S   HC   _H26    70     1.09327   108.18701   177.99992
   96    94 S   HC   _H27    71     1.09339   111.28471    58.86150
   97    94 S   HC   _H28    72     1.09416   110.25625   -63.56720
  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  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  20  24  10   9   3   2   1  10   5   4  15   2   1  18   8   7
   3   2   1   3   1   1   7   5   6   3   1   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    90    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    87    90    91    57    50    51    52    53    42    44  
   43    48    90    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    66    78    87    88    90    91    92    68    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    86    87    90    91    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    90    57    58    61    50  
   51    52    53    54    57    65    87    90    91  
   52    53    90  
   53    90  
   90  
   55    56    59    60    65    66    76    86    90    68    57    58    61  
   56    59    60    65    86    57  
   59    60    65    86    57  
   58    61    62    63    64    59    90  
   61    62    63    64  
   60    65    66    67    72    76    77    86    75    87    90    91    68    69    70    71  
   65    66    76    86    90    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    72    73    74    76    86    75    78    87    88    90    91    92    80    84    68    69    70    71  
   67    72    73    74    76    77    86    75    78    79    87    90    91    89    80    81    82    83    84    85    68    69    70    71  
   72    73    74    76    75    78    90    80    84    68  
   69    70    71    72    75    86    87    90    91  
   70    71    90  
   71    90  
   90  
   73    74    76    77    86    75    78    90    80    84  
   74    76    77    86    75  
   76    77    86    75  
   78    79    87    88    90    92    89    94    80    81    82    83    84    85    76  
   77    86  
   86  
   79    87    88    90    91    92    93    89    94    95    96    97    80    81    82    83    84    85  
   87    88    90    92    89    94    80    84  
   81    82    83    84    85    87    89  
   82    83    84  
   83    84  
   84  
   85    87    89  
    0  
   90  
   88    90    91    92    93    89    94  
   90    91    92    93    89  
   94    95    96    97    90    92  
   91    92    93  
   92  
   93  
    0  
   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.030000   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    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    90   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    86   320.000  1.410
   65    66   268.000  1.529
   65    90   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   317.000  1.522
   76    77   570.000  1.229
   76    86   214.000  1.327
   75    78   268.000  1.529
   75    80   268.000  1.529
   75    84   320.000  1.410
   78    79   340.000  1.090
   78    87   268.000  1.529
   78    89   320.000  1.410
   87    88   340.000  1.090
   87    90   268.000  1.529
   87    92   320.000  1.410
   90    91   340.000  1.090
   92    93   553.000  0.945
   89    94   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    90    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    90    65    58.35000  112.70000
   43    90    87    58.35000  112.70000
   43    90    91    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    86    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    58.35000  112.70000
   59    65    90    58.35000  112.70000
   59    65    68    58.35000  112.70000
   59    86    76    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    75    58.35000  112.70000
   65    90    87    58.35000  112.70000
   65    90    91    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    76    63.00000  111.10000
   66    75    78    58.35000  112.70000
   66    75    80    58.35000  112.70000
   66    75    84    50.00000  109.50000
   72    66    67    37.50000  110.70000
   72    76    77    80.00000  120.40000
   72    76    86    81.00000  111.40000
   74    72    73    33.00000  107.80000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   86    59    60    35.00000  109.50000
   86    59    65    50.00000  109.50000
   86    76    77    83.00000  123.40000
   75    66    67    37.50000  110.70000
   75    66    72    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    87    58.35000  112.70000
   75    78    89    50.00000  109.50000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   75    84    85    55.00000  108.50000
   78    87    88    37.50000  110.70000
   78    87    90    58.35000  112.70000
   78    87    92    50.00000  109.50000
   78    89    94    60.00000  109.50000
   87    78    79    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    92    93    55.00000  108.50000
   90    43    48    58.35000  112.70000
   90    65    66    58.35000  112.70000
   90    87    88    37.50000  110.70000
   92    87    88    35.00000  109.50000
   92    87    90    50.00000  109.50000
   89    78    79    35.00000  109.50000
   89    78    87    50.00000  109.50000
   89    94    95    35.00000  109.50000
   89    94    96    35.00000  109.50000
   89    94    97    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   80    75    78    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
   84    75    78    50.00000  109.50000
   84    75    80    50.00000  109.50000
   68    65    66    58.35000  112.70000
   68    65    90    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
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    90    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
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.44750  1.0 1.0
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   50    43    90    91   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   38    43    40    41  10.50000 -1.0 2.0
   72    86    76    77  10.50000 -1.0 2.0
END
