* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    197    323     593
    1     0 S   NP   _N1_     1    28.61130    93.68847   -21.72874
    2     1 S   H    _HN1     2     1.02778    93.06184   -85.10745
    3     1 S   H    _H1_     3     1.02961    94.26461    23.54850
    4     1 S   H    _H2_     4     1.02835    24.62078   146.40410
    5     1 S   CT   _CA1     5     1.50116   135.36052   148.45665
    6     5 S   HC   _HA1     6     1.09572   105.24935    58.21401
    7     5 S   CO3  _C1_     7     1.53797   112.39600   -62.03310
    8     7 S   O2Z  _O11     8     1.26359   114.99440   -43.25049
    9     7 S   O2Z  _O12     9     1.26244   114.95739   136.01665
   10     5 S   CT   _CB1    10     1.53106   107.42486   176.17224
   11    10 S   HC   HB11    11     1.09820   109.38934   -50.46205
   12    10 S   HC   HB12    12     1.09822   110.39989    66.12672
   13    10 S   CT   _CG1    13     1.52970   112.62938  -171.57237
   14    13 S   HC   HG11    14     1.09513   110.36905   -62.62094
   15    13 S   HC   HG12    15     1.09645   110.05093    56.54072
   16    13 S   C    _CD1    16     1.51777   112.38991   176.88272
   17    16 S   O    _OE1    17     1.22714   123.27194    -5.95569
   18    16 S   N    _N2_    18     1.38633   111.58954   174.49483
   19    18 S   H    _HN2    19     1.01586   119.00938     0.93314
   20    18 S   CT1  _CA2    20     1.46191   123.40394  -179.97202
   21    20 S   HC   _HA2    21     1.09742   109.45004    -9.17057
   22    20 S   C    _C2_    22     1.53489   108.24593  -124.75687
   23    22 S   O    _O2_    23     1.23021   122.21250  -145.40951
   24    20 S   CT   _CB2    32     1.53712   111.61973   112.93821
   25    24 S   HC   HB21    33     1.09324   108.93056    55.36563
   26    24 S   HC   HB22    34     1.09145   109.36562   173.14989
   27    22 S   N    _N3_    24     1.38491   113.40907    41.85119
   28    27 S   H    _HN3    25     1.01522   118.93049    -0.66793
   29    24 S   S    _SG2    35     1.83309   110.98092   -65.10035
   30    27 S   CT   _CA3    26     1.45456   123.54510   175.21689
   31    30 S   HC   HA31    27     1.09512   109.38878    21.66065
   32    30 S   HC   HA32    28     1.09498   107.09578   138.68484
   33    29 S   CT   _C14    36     1.93760   105.30841  -167.67773
   34    30 S   CO3  _C3_    29     1.52905   112.96410  -101.91547
   35    34 S   O2Z  _O31    30     1.26410   115.33284   -46.21847
   36    34 S   O2Z  _O32    31     1.26342   115.02572   134.66397
   37    33 S   CT   _C13    37     1.59435   105.74497  -147.70909
   38    37 S   HC   _H3_    38     1.09387   108.36284  -176.03839
   39    33 S   CT   _C15    73     1.57507   109.35435   -30.61675
   40    39 S   HC   _H4_    74     1.09267   109.93060    54.92954
   41    37 S   CT   _C12    39     1.53951   112.78821   -59.77600
   42    41 S   HC   _H17    40     1.09704   109.67577  -174.85406
   43    41 S   HC   _H18    41     1.09560   111.54977    68.52437
   44    37 S   CT   _C18    61     1.53998   111.23999    66.73531
   45    44 S   HC   _H5_    62     1.09637   106.65318   -58.88296
   46    39 S   OH   _O38    75     1.42650   111.19338   169.54336
   47    46 S   HO   _H35    76     0.97255   107.95783  -173.98028
   48    41 S   CT   _C11    42     1.52307   111.93174   -55.26252
   49    48 S   HC   _H15    43     1.09784   108.62912   -71.68111
   50    48 S   HC   _H16    44     1.09725   108.43529   173.69174
   51    44 S   CT   _C19    63     1.52795   119.35420  -177.04574
   52    51 S   HC   _H21    64     1.09570   110.34644   -45.34350
   53    51 S   HC   _H22    65     1.09477   111.91578    75.32325
   54    48 S   CM   _C10    45     1.51157   114.31434    49.03844
   55    51 S   CT   _C20    66     1.54318   103.70738  -163.46942
   56    55 S   HC   _H6_    67     1.09416   109.35756   136.05017
   57    54 S   CM   _C9_    46     1.34489   119.05134   136.55133
   58    57 S   HC   _H14    47     1.08483   122.07602    -4.65728
   59    55 S   CT   _C21    68     1.54199   107.17609    10.84791
   60    57 S   CO4  _C8_    48     1.48266   121.43227   169.20473
   61    60 S   O    _O33    49     1.22908   119.85172   177.04620
   62    44 S   CT   _C17    69     1.54885   113.45081    60.59977
   63    59 S   OS   _O34    81     1.42792   104.23181   -98.79543
   64    59 S   CO4  _C25    92     1.53814   113.35332   143.43454
   65    64 S   O    _O36    93     1.23261   121.44075   -23.30480
   66    60 S   CT   _C7_    50     1.50759   117.99769    -7.27945
   67    66 S   HC   _H12    51     1.09581   108.43531   156.82089
   68    66 S   HC   _H13    52     1.09382   109.23985   -85.63464
   69    62 S   CT   _C16    70     1.54395   107.02089   -60.26941
   70    69 S   HC   _H19    71     1.09339   109.35818   -68.25970
   71    69 S   HC   _H20    72     1.09571   109.24659   175.92835
   72    62 S   CT   _C27    77     1.55359   113.45777    62.10969
   73    72 S   HC   _H32    78     1.09503   112.48962    67.75952
   74    72 S   HC   _H33    79     1.09095   113.54428   -52.51772
   75    72 S   HC   _H34    80     1.09618   110.51814  -172.81799
   76    63 S   CO   _C22    82     1.43025   107.12009   -21.24440
   77    64 S   CT   _C26    94     1.52112   117.33363   157.97562
   78    77 S   HC   _H29    95     1.09018   109.80208    61.10848
   79    77 S   HC   _H30    96     1.09259   109.58486   -60.36382
   80    66 S   CT   _C6_    53     1.52226   109.36638    37.92479
   81    80 S   HC   _H10    54     1.09115   104.97687    64.18220
   82    80 S   HC   _H11    55     1.09639   109.63544   178.51167
   83    55 S   OS   _O35    83     1.42501   110.54013  -104.90559
   84    76 S   CT   _C23    84     1.52639   109.48218  -103.28637
   85    84 S   HC   _H23    85     1.09528   110.98637    63.11823
   86    84 S   HC   _H24    86     1.09501   111.26609   -56.26224
   87    84 S   HC   _H25    87     1.09528   111.20735  -178.22161
   88    76 S   CT   _C24    88     1.52310   108.84650   136.06489
   89    88 S   HC   _H26    89     1.09504   110.93368   -60.91980
   90    88 S   HC   _H27    90     1.09492   111.24025  -179.78786
   91    88 S   HC   _H28    91     1.09473   111.14997    58.21814
   92    77 S   OH   _O37    97     1.41466   110.31250  -179.60140
   93    92 S   HO   _H31    98     0.97224   107.27665   177.12261
   94    33 S   CT   _C5_    56     1.62432   108.52084    95.89106
   95    94 S   CT   _C4_    57     1.55743   113.66561  -179.48718
   96    95 S   HC   _H7_    58     1.09462   111.94388    79.65872
   97    95 S   HC   _H8_    59     1.09269   113.14831   -42.59731
   98    95 S   HC   _H9_    60     1.09760   111.67414  -162.10693
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  28   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  13  13   6   9   4  19   8   4  13  15  10
   4   7   5   4   7   2   1   3   2   1   1   9   4   3   2   7
   3   2   8   7   3   2   1   3   2   1   1   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    94    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    80    94    95    44    69    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    66    80    81    82    94    95    96    97    98    44    45    51    62    69    70    71    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    94    95    44    45    51    52    53    55    59    62    69    39    40    46    72  
   41    42    43    48    94    44    45    51    62    39  
   40    46    47    72    41    44    54    59    62    69    70    71    80    94    95  
   46    47    62    69    70    71    94  
   42    43    48    49    50    54    57    94    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    62    69    70    71    72    73    74    75    63    83    64    48    94  
   51    52    53    55    59    62    69    72  
   47    62    69    70    71    94  
   69  
   49    50    54    57    58    60    80    94    95  
   50    54    57    94  
   54    57    94  
   52    53    55    56    59    62    69    72    63    76    83    64  
   53    55    56    59    62    83  
   55    56    59    62    83  
   57    58    60    61    66    80    81    82    94    95    96    97    98  
   56    59    62    69    72    63    76    83    84    88    64    65    77  
   59    62    63    76    83    64  
   58    60    61    66    67    68    80    94    95  
   60    61    66    94  
   62    69    70    71    72    73    74    75    63    76    83    84    88    64    65    77    78    79    92  
   61    66    67    68    80    81    82    94  
   66    67    68    80  
   69    70    71    72    73    74    75    63    76    83    64    65    77  
   76    83    84    85    86    87    88    89    90    91    64    65    77    69    72  
   65    77    78    79    92    93    69    72    76    83  
   77    78    79    92  
   67    68    80    81    82    94    95  
   68    80    81    82    94  
   80    81    82    94  
   70    71    72    73    74    75    94  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   83    84    85    86    87    88    89    90    91  
   78    79    92    93  
   79    92    93  
   92    93  
   81    82    94    95    96    97    98  
   82    94    95  
   94    95  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93  
    0  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    94   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    94   317.000  1.510
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    94   268.000  1.529
   94    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    83   320.000  1.410
   59    62   268.000  1.529
   59    63   320.000  1.410
   59    64   317.000  1.522
   62    69   268.000  1.529
   62    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    76   320.000  1.380
   76    83   320.000  1.380
   76    84   250.000  1.527
   76    88   250.000  1.527
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   64    65   570.000  1.229
   64    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    92   320.000  1.410
   92    93   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    94    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    94    54    70.00000  112.02700
   33    94    80    58.35000  112.70000
   33    94    95    58.35000  112.70000
   33    39    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    62    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    94    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    60    65.00000  118.96000
   54    94    80    70.00000  112.02700
   54    94    95    70.00000  112.02700
   57    60    61    80.00000  123.72100
   57    60    66    65.00000  118.62400
   60    57    58    40.00000  117.72500
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    80    63.00000  111.10000
   66    60    61    80.00000  120.40000
   66    80    81    37.50000  110.70000
   66    80    82    37.50000  110.70000
   66    80    94    58.35000  112.70000
   68    66    67    33.00000  107.80000
   80    66    67    37.50000  110.70000
   80    66    68    37.50000  110.70000
   80    94    95    58.35000  112.70000
   82    80    81    33.00000  107.80000
   94    33    37    58.35000  112.70000
   94    54    57    70.00000  124.00000
   94    80    81    37.50000  110.70000
   94    80    82    37.50000  110.70000
   94    95    96    37.50000  110.70000
   94    95    97    37.50000  110.70000
   94    95    98    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    62    59    58.35000  112.70000
   44    62    69    58.35000  112.70000
   44    62    72    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    83    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    59    63    50.00000  109.50000
   55    59    64    63.00000  111.10000
   55    83    76    60.00000  109.50000
   59    55    56    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    58.35000  112.70000
   59    63    76    60.00000  109.50000
   59    64    65    80.00000  120.40000
   59    64    77    70.00000  116.00000
   62    44    45    37.50000  110.70000
   62    44    51    58.35000  112.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    39    58.35000  112.70000
   62    72    73    37.50000  110.70000
   62    72    74    37.50000  110.70000
   62    72    75    37.50000  110.70000
   69    39    40    37.50000  110.70000
   69    39    46    50.00000  109.50000
   71    69    70    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    94    58.35000  112.70000
   39    69    70    37.50000  110.70000
   39    69    71    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   72    62    69    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    59    62    50.00000  109.50000
   63    76    83    92.60000  111.55000
   63    76    84    90.00000  108.56700
   63    76    88    90.00000  108.56700
   76    84    85    45.00000  108.72000
   76    84    86    45.00000  108.72000
   76    84    87    45.00000  108.72000
   76    88    89    45.00000  108.72000
   76    88    90    45.00000  108.72000
   76    88    91    45.00000  108.72000
   83    55    56    35.00000  109.50000
   83    55    59    50.00000  109.50000
   84    76    83    90.00000  108.56700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    76    83    90.00000  108.56700
   88    76    84    65.00000  112.71400
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   64    59    62    63.00000  111.10000
   64    59    63    90.00000  108.74100
   64    77    78    35.00000  109.50000
   64    77    79    35.00000  109.50000
   64    77    92    90.00000  109.61100
   77    64    65    80.00000  120.40000
   77    92    93    55.00000  108.50000
   79    77    78    33.00000  107.80000
   92    77    78    35.00000  109.50000
   92    77    79    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    94   0.01700  1.0 1.0
   24    29    33    94  -0.23550 -1.0 2.0
   24    29    33    94   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
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   83    55    59    62   0.62750  1.0 1.0
   83    55    59    62  -0.30950 -1.0 2.0
   83    55    59    62   0.27300  1.0 3.0
   83    55   -59    63   1.11900  1.0 1.0
   83    55   -59    63  -1.16350 -1.0 2.0
   83    55   -59    63  -0.34150  1.0 3.0
   83    55    59    64  -0.09450  1.0 1.0
   83    55    59    64  -1.12950 -1.0 2.0
   83    55    59    64   0.54000  1.0 3.0
   83    76    84    85   0.23400  1.0 3.0
   83    76    84    86   0.23400  1.0 3.0
   83    76    84    87   0.23400  1.0 3.0
   83    76    88    89   0.23400  1.0 3.0
   83    76    88    90   0.23400  1.0 3.0
   83    76    88    91   0.23400  1.0 3.0
   84    76    83    55   0.06250  1.0 1.0
   84    76    83    55  -0.01100 -1.0 2.0
   84    76    83    55   0.28050  1.0 3.0
   84    76    88    89   0.15000  1.0 3.0
   84    76    88    90   0.15000  1.0 3.0
   84    76    88    91   0.15000  1.0 3.0
   88    76    83    55   0.06250  1.0 1.0
   88    76    83    55  -0.01100 -1.0 2.0
   88    76    83    55   0.28050  1.0 3.0
   88    76    84    85   0.15000  1.0 3.0
   88    76    84    86   0.15000  1.0 3.0
   88    76    84    87   0.15000  1.0 3.0
   64    59    62    44  -0.95700  1.0 1.0
   64    59    62    44  -0.18200 -1.0 2.0
   64    59    62    44   0.29450  1.0 3.0
   64    59    62    69  -0.95700  1.0 1.0
   64    59    62    69  -0.18200 -1.0 2.0
   64    59    62    69   0.29450  1.0 3.0
   64    59    62    72  -0.95700  1.0 1.0
   64    59    62    72  -0.18200 -1.0 2.0
   64    59    62    72   0.29450  1.0 3.0
   64    59    63    76  -1.11000  1.0 1.0
   64    59    63    76   0.50250 -1.0 2.0
   64    59    63    76   0.47450  1.0 3.0
   64    77    92    93   0.91850  1.0 1.0
   64    77    92    93   0.57950  1.0 3.0
   65    64    77    78   0.00000  1.0 1.0
   65    64    77    79   0.00000  1.0 1.0
   65    64    77    92   0.30150 -1.0 2.0
   78    77    92    93   0.19450  1.0 3.0
   79    77    92    93   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    94    54    57   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   57    66    60    61  10.50000 -1.0 2.0
   59    77    64    65  10.50000 -1.0 2.0
END
