* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    194    318     587
    1     0 S   NP   _N1_     1    29.49900    98.29840   -17.51355
    2     1 S   H    _HN1     2     1.02781    58.50273   -60.45634
    3     1 S   H    _H1_     3     1.02969    92.61113    49.43727
    4     1 S   H    _H2_     4     1.02831    59.19310   157.79379
    5     1 S   CT   _CA1     5     1.50113   156.98341  -132.50536
    6     5 S   HC   _HA1     6     1.09581   105.26233    -0.32805
    7     5 S   CO3  _C1_     7     1.53798   112.33689  -120.50802
    8     7 S   O2Z  _O11     8     1.26350   115.03536   -46.23451
    9     7 S   O2Z  _O12     9     1.26248   114.90635   133.01977
   10     5 S   CT   _CB1    10     1.53094   107.39214   117.45703
   11    10 S   HC   HB11    11     1.09821   109.27865   -52.11694
   12    10 S   HC   HB12    12     1.09827   110.42364    64.37941
   13    10 S   CT   _CG1    13     1.53000   112.69417  -173.33900
   14    13 S   HC   HG11    14     1.09605   110.27639   -62.52822
   15    13 S   HC   HG12    15     1.09637   110.15570    56.66254
   16    13 S   C    _CD1    16     1.51807   112.24571   176.86662
   17    16 S   O    _OE1    17     1.22722   123.22082   -10.37437
   18    16 S   N    _N2_    18     1.38600   111.66262   170.24837
   19    18 S   H    _HN2    19     1.01591   119.01006     1.01587
   20    18 S   CT1  _CA2    20     1.46237   123.43717  -178.76314
   21    20 S   HC   _HA2    21     1.09737   109.38046   -14.43891
   22    20 S   C    _C2_    22     1.53441   108.21636  -130.08792
   23    22 S   O    _O2_    23     1.23007   122.27373  -145.66362
   24    20 S   CT   _CB2    32     1.53609   111.35014   107.76173
   25    24 S   HC   HB21    33     1.09338   109.24284    54.61451
   26    24 S   HC   HB22    34     1.09467   109.96111   173.32782
   27    22 S   N    _N3_    24     1.38518   113.32424    41.68110
   28    27 S   H    _HN3    25     1.01534   118.90093    -0.62807
   29    24 S   S    _SG2    35     1.83032   111.34728   -67.58687
   30    27 S   CT   _CA3    26     1.45455   123.51343   175.14659
   31    30 S   HC   HA31    27     1.09517   109.31887    22.68765
   32    30 S   HC   HA32    28     1.09497   107.09951   139.70912
   33    29 S   CT   _C19    36     1.88926   103.00627   162.31342
   34    30 S   CO3  _C3_    29     1.52920   113.06534  -100.84409
   35    34 S   O2Z  _O31    30     1.26406   115.38955   -44.58086
   36    34 S   O2Z  _O32    31     1.26351   114.99129   136.33849
   37    33 S   CT   _C20    37     1.53815   105.90533   -67.05273
   38    37 S   HC   _H18    38     1.09577   111.55645    78.37946
   39    37 S   HC   _H19    39     1.09795   111.90293   -41.83316
   40    33 S   CT   _C23    95     1.53643   107.54888    52.70214
   41    40 S   HC   _H21    96     1.09542   112.11123    56.47895
   42    40 S   HC   _H22    97     1.09532   111.98826   -64.41814
   43    40 S   HC   _H23    98     1.08862   112.66043   177.50315
   44    37 S   CO4  _C21    40     1.50550   112.41177  -160.67624
   45    44 S   O    _O38    41     1.23070   121.12100  -129.43890
   46    44 S   CT   _C22    42     1.52146   116.15510    54.88786
   47    46 S   HC   _H10    43     1.09640   107.65265    62.61460
   48    46 S   CT   _C14    44     1.55877   110.78346   -58.77181
   49    46 S   OH   _O39    93     1.41933   107.79636   178.71946
   50    49 S   HO   _H20    94     0.97290   107.63553   -57.15658
   51    33 S   CT   _C15    45     1.57824   106.38939   175.12649
   52    51 S   HC   _H8_    46     1.10254   103.90150    47.24505
   53    48 S   CT   _C24    89     1.54944   107.81307   -68.79369
   54    53 S   HC   _H24    90     1.08979   113.50925   167.17723
   55    53 S   HC   _H25    91     1.09218   111.77370    46.42133
   56    53 S   HC   _H26    92     1.08915   113.21940   -70.25358
   57    51 S   CT   _C16    47     1.54919   113.77614   -68.15038
   58    57 S   HC   _H16    48     1.09327   111.62938   -74.05583
   59    57 S   HC   _H17    49     1.09539   110.18624    43.29301
   60    57 S   CT   _C17    50     1.52658   111.36332   162.53840
   61    60 S   HC   _H9_    51     1.09750   107.96283   178.11197
   62    60 S   CT   _C8_    52     1.52701   113.97686    54.88166
   63    60 S   OS   _O36    64     1.46032   105.89399   -69.42529
   64    62 S   CT   _C9_    53     1.53301   115.21377    83.94360
   65    64 S   HC   _H14    54     1.08820   115.72875   -89.95274
   66    64 S   HC   _H15    55     1.09627   112.12905    33.80171
   67    48 S   CT   _C13    76     1.61172   109.64611   167.48538
   68    67 S   HC   _H7_    77     1.09908   102.76406   -56.05980
   69    64 S   OS   _O35    56     1.44781   105.63553   150.02091
   70    69 S   CT   _C10    57     1.46126   108.36052   -10.80307
   71    62 S   CT   _C7_    58     1.53327   106.61937  -169.40053
   72    71 S   HC   _H4_    59     1.10487   108.84022   -57.04670
   73    70 S   CT   _C11    72     1.54137   106.92070    98.80690
   74    73 S   HC   _H5_    73     1.09766   109.16172    67.20812
   75    70 S   CO4  _C25    82     1.52579   104.27907  -139.42591
   76    75 S   O    _O42    83     1.22568   124.24100    21.53321
   77    71 S   CT   _C6_    60     1.51690   112.79250    60.04270
   78    77 S   HC   _H3_    61     1.09173   112.88898    63.44115
   79    73 S   CT   _C12    74     1.54534   111.66233   -53.21581
   80    79 S   HC   _H6_    75     1.09582   108.38416  -159.67267
   81    73 S   OH   _O41    80     1.42486   112.04539  -174.45776
   82    81 S   HO   _H28    81     0.97335   107.67286   -59.34006
   83    75 S   OS   _O43    84     1.36399   110.93783  -159.60831
   84    77 S   CO4  _C18    62     1.52051   109.64945   -55.59943
   85    84 S   O    _O37    63     1.22768   122.97093  -145.00914
   86    77 S   OS   _O34    65     1.43765   108.69204  -174.03057
   87    79 S   OH   _O40    78     1.42149   107.70751    84.68590
   88    87 S   HO   _H27    79     0.97232   107.81072    66.34860
   89    83 S   CT   _C26    85     1.43106   115.28335   179.33031
   90    89 S   HC   _H29    86     1.09322   108.06424  -176.92553
   91    89 S   HC   _H30    87     1.09410   110.13413    64.41364
   92    89 S   HC   _H31    88     1.09428   110.45227   -58.27890
   93    86 S   CO4  _C5_    66     1.36402   117.31511  -153.44023
   94    93 S   O    _O33    67     1.22326   126.42722     2.77587
   95    93 S   CT   _C4_    68     1.49826   109.70433  -178.01338
   96    95 S   HC   _H11    69     1.09146   109.85009   -75.00006
   97    95 S   HC   _H12    70     1.09379   109.26812   165.27014
   98    95 S   HC   _H13    71     1.09333   110.07424    46.93743
  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
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  15   6   8   3   2   1  10   5   4  16   6  19   8  12
   5   4  13   5  11  17  14   6  11   6   9   2   7   4   5   3
   2   1   4   3   1   6   1   1   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    60    67    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    67    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    79    67    68    53    54    55    56    49    50  
   48    51    67    53    49    50  
   51    52    57    58    59    60    62    64    71    73    79    80    67    68    87    53    54    55    56    49    50  
   50    51    53    67  
    0  
   52    57    58    59    60    61    62    63    79    67    68    53    54    55    56  
   57    58    59    60    67    53  
   54    55    56    57    62    67    68    79  
   55    56    67  
   56    67  
   67  
   58    59    60    61    62    64    71    84    63    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    66    69    70    71    72    77    84    85    63    79    67    68  
   62    64    71    84    63    67  
   64    65    66    69    70    71    72    77    78    84    63    86    73    79    80    67    68    87    75  
   86    67    64    71    77    78    84    85  
   65    66    69    70    71    72    77    73    79    67    68    75  
   66    69    70    71    67  
   69    70    71    67  
   68    87    88    81    69    70    71    72    73    74    77    79    80  
   87    71    73    79    80  
   70    71    72    77    73    74    79    81    75    76    83  
   71    72    77    78    84    86    73    74    79    80    87    81    82    75    76    83    89  
   72    77    78    84    85    86    93    73    74    79    81    75    76    83  
   77    78    84    86    73    75  
   74    79    80    87    88    81    82    75    76    83    77  
   79    80    87    81    82    75  
   76    83    89    90    91    92    77    79    81  
   83    89  
   78    84    85    86    93    94    95  
   84    85    86    93  
   80    87    88    81    82  
   87    88    81  
   82    87  
    0  
   89    90    91    92  
   85    86    93  
   86  
   93    94    95    96    97    98  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   98   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    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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    67   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    64   268.000  1.529
   62    71   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   320.000  1.410
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    75   317.000  1.522
   71    72   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    84   317.000  1.522
   77    86   320.000  1.410
   84    85   570.000  1.229
   84    63   214.000  1.327
   86    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    67   268.000  1.529
   79    87   320.000  1.410
   67    68   340.000  1.090
   87    88   553.000  0.945
   81    82   553.000  0.945
   75    76   570.000  1.229
   75    83   214.000  1.327
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    67    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    67    62    58.35000  112.70000
   48    67    79    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    58.35000  112.70000
   60    62    71    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    84    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    50.00000  109.50000
   62    71    70    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    77    58.35000  112.70000
   62    67    79    58.35000  112.70000
   62    67    68    37.50000  110.70000
   64    69    70    60.00000  109.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    50.00000  109.50000
   69    70    73    50.00000  109.50000
   69    70    75    90.00000  108.74100
   70    71    72    37.50000  110.70000
   70    71    77    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    79    58.35000  112.70000
   70    73    81    50.00000  109.50000
   70    75    76    80.00000  120.40000
   70    75    83    81.00000  111.40000
   71    62    64    58.35000  112.70000
   71    77    78    37.50000  110.70000
   71    77    84    63.00000  111.10000
   71    77    86    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    84    85    80.00000  120.40000
   77    84    63    81.00000  111.40000
   77    86    93    83.00000  116.90000
   84    77    78    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   63    84    85    83.00000  123.40000
   86    77    78    35.00000  109.50000
   86    77    84    90.00000  108.74100
   86    93    94    83.00000  123.40000
   86    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   73    70    71    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    67    58.35000  112.70000
   73    79    87    50.00000  109.50000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    67    68    37.50000  110.70000
   79    87    88    55.00000  108.50000
   67    48    51    58.35000  112.70000
   67    62    64    58.35000  112.70000
   67    62    71    58.35000  112.70000
   67    79    80    37.50000  110.70000
   87    79    80    35.00000  109.50000
   87    79    67    50.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    70    71    63.00000  111.10000
   75    70    73    63.00000  111.10000
   75    83    89    83.00000  116.90000
   83    75    76    83.00000  123.40000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    48    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
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   75    70    73    79  -0.18200 -1.0 2.0
   75    70    73    79   0.29450  1.0 3.0
   75    70    73    81  -0.09450  1.0 1.0
   75    70    73    81  -1.12950 -1.0 2.0
   75    70    73    81   0.54000  1.0 3.0
   75    83    89    90   0.08050  1.0 3.0
   75    83    89    91   0.08050  1.0 3.0
   75    83    89    92   0.08050  1.0 3.0
   76    75    83    89   3.00000 -1.0 2.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    67    62   0.56750  1.0 1.0
   53    48    67    62  -0.07550 -1.0 2.0
   53    48    67    62   0.20000  1.0 3.0
   53    48    67    79   0.56750  1.0 1.0
   53    48    67    79  -0.07550 -1.0 2.0
   53    48    67    79   0.20000  1.0 3.0
   53    48    67    68   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    67   0.86500  1.0 1.0
   49    46    48    67  -0.17500 -1.0 2.0
   49    46    48    67   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  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
   37    46    44    45  10.50000 -1.0 2.0
   77    63    84    85  10.50000 -1.0 2.0
   86    95    93    94  10.50000 -1.0 2.0
   70    83    75    76  10.50000 -1.0 2.0
END
