* LIGAND DATABASE FILE (OPLS2005)
*
001      99   104    197    327     593
    1     0 S   NP   _N1_     1    28.64145    96.16537   -22.32872
    2     1 S   H    _HN1     2     1.02956    75.86147    18.61834
    3     1 S   H    _H1_     3     1.02826    38.53142   162.02366
    4     1 S   H    _H2_     4     1.02782    97.45203   -88.49565
    5     1 S   CT   _CA1     5     1.50133   144.66709   124.02665
    6     5 S   HC   _HA1     6     1.09579   105.19108    83.43124
    7     5 S   CO3  _C1_     7     1.53780   112.41771   -36.73295
    8     7 S   O2Z  _O11     8     1.26370   115.00965   -43.18822
    9     7 S   O2Z  _O12     9     1.26244   114.93899   135.85832
   10     5 S   CT   _CB1    10     1.53073   107.38358  -158.67969
   11    10 S   HC   HB11    11     1.09832   109.27658   -50.38789
   12    10 S   HC   HB12    12     1.09816   110.46562    66.17014
   13    10 S   CT   _CG1    13     1.52997   112.67336  -171.42946
   14    13 S   HC   HG11    14     1.09589   110.55291   -65.97067
   15    13 S   HC   HG12    15     1.09670   109.86505    53.27135
   16    13 S   C    _CD1    16     1.51814   112.24284   173.58968
   17    16 S   O    _OE1    17     1.22735   123.28561     3.57314
   18    16 S   N    _N2_    18     1.38646   111.67227  -176.22208
   19    18 S   H    _HN2    19     1.01586   119.00308     1.14295
   20    18 S   CT1  _CA2    20     1.46204   123.38737   177.75049
   21    20 S   HC   _HA2    21     1.09746   109.31515     2.26304
   22    20 S   C    _C2_    22     1.53591   108.81988  -113.17014
   23    22 S   O    _O2_    23     1.23072   122.26865  -149.70241
   24    20 S   CT   _CB2    32     1.53488   111.63520   124.17067
   25    24 S   HC   HB21    33     1.09547   109.53911    56.05122
   26    24 S   HC   HB22    34     1.09191   109.67264   174.74872
   27    22 S   N    _N3_    24     1.38333   113.77529    37.87387
   28    27 S   H    _HN3    25     1.01585   119.54016    -3.57062
   29    24 S   S    _SG2    35     1.83022   111.03039   -64.33826
   30    27 S   CT   _CA3    26     1.45284   123.20138   177.01168
   31    30 S   HC   HA31    27     1.09550   107.51744   -64.21503
   32    30 S   HC   HA32    28     1.09557   107.96946    52.21098
   33    29 S   CT   _C21    36     1.88462   102.80473  -169.70768
   34    30 S   CO3  _C3_    29     1.52953   114.10521   174.19441
   35    34 S   O2Z  _O31    30     1.26374   116.06627    -0.92154
   36    34 S   O2Z  _O32    31     1.26430   114.40917   179.14065
   37    33 S   CM   _C5_    37     1.50158   109.13319   -41.53351
   38    37 S   HC   _H39    38     1.08239   123.86140    79.42058
   39    33 S   CT   _C17    90     1.56265   114.09492    92.32418
   40    39 S   HC   _H48    91     1.09779   108.14356  -175.03734
   41    37 S   CMA  _C7_    39     1.35155   111.87366   -98.27197
   42    41 S   OM   _O26    40     1.26130   127.80164   177.39744
   43    39 S   CT   _C26    92     1.53176   113.45385   -59.03855
   44    43 S   HC   _H55    93     1.09413   112.07621    72.00048
   45    43 S   HC   _H56    94     1.09426   111.21210   -49.97610
   46    43 S   HC   _H57    95     1.09527   110.59917  -167.84323
   47    41 S   OS   _O30    41     1.43322   108.20518    -3.17354
   48    33 S   CM   _C6_    42     1.50790   105.14331  -147.77020
   49    48 S   CM   _C4_    43     1.34022   126.76974   -99.48069
   50    49 S   HC   _H38    44     1.08748   118.22368  -172.05554
   51    49 S   CT   _C22    45     1.52725   122.68080    -4.89641
   52    51 S   CT   _C14    46     1.57813   110.25983    14.16180
   53    52 S   HC   _H45    47     1.09847   106.85271    71.44006
   54    51 S   CT   _C27    96     1.55214   103.29149  -103.43374
   55    54 S   HC   _H58    97     1.08912   113.63128   176.14796
   56    54 S   HC   _H59    98     1.09661   111.62178    56.75768
   57    54 S   HC   _H60    99     1.09284   112.74545   -61.02911
   58    52 S   CT   _C11    48     1.53968   110.54793  -175.47701
   59    58 S   HC   _H40    49     1.09303   111.83907    61.54544
   60    58 S   HC   _H41    50     1.09578   109.61733   179.38388
   61    58 S   CT   _C18    51     1.53616   110.42706   -62.53597
   62    61 S   HC   _H49    52     1.09717   107.88685   175.95935
   63    61 S   CT   _C24    53     1.53267   114.95290    52.15743
   64    61 S   OS   _O33    65     1.46423   105.38115   -72.16707
   65    63 S   CT   _C12    54     1.53559   114.89266    86.58441
   66    65 S   HC   _H42    55     1.08715   116.12153   -89.44212
   67    65 S   HC   _H43    56     1.09635   112.05442    34.42219
   68    51 S   CT   _C16    77     1.58291   111.76798   132.44613
   69    68 S   HC   _H47    78     1.09910   103.28613   -60.90605
   70    65 S   OS   _O34    57     1.44717   105.82608   150.67866
   71    70 S   CT   _C23    58     1.46149   108.29453   -10.73581
   72    63 S   CT   _C15    59     1.53383   107.34581  -166.93205
   73    72 S   HC   _H46    60     1.10489   108.83758   -56.99651
   74    71 S   CT   _C20    73     1.54286   106.60503    98.82486
   75    74 S   HC   _H51    74     1.09750   108.76462    67.55764
   76    71 S   CO4  _C9_    83     1.52646   103.98942  -139.58500
   77    76 S   O    _O28    84     1.22623   124.07056    20.13159
   78    72 S   CT   _C13    61     1.51598   112.69475    60.00514
   79    78 S   HC   _H44    62     1.09164   112.97778    62.90899
   80    74 S   CT   _C19    75     1.54679   111.70626   -53.29258
   81    80 S   HC   _H50    76     1.09639   108.96391  -160.48797
   82    74 S   OH   _O36    81     1.42470   110.75121  -174.81401
   83    82 S   HO   _H65    82     0.97266   107.90473  -174.62513
   84    76 S   OS   _O37    85     1.36245   111.26886  -161.01818
   85    78 S   CO4  _C8_    63     1.51992   109.43539   -56.31496
   86    85 S   O    _O27    64     1.22794   122.87140  -144.92651
   87    78 S   OS   _O38    66     1.43757   108.76827  -174.57516
   88    80 S   OH   _O35    79     1.42196   108.77895    83.62614
   89    88 S   HO   _H64    80     0.97227   108.01094    60.72175
   90    84 S   CT   _C28    86     1.43066   115.42620   179.24619
   91    90 S   HC   _H61    87     1.09322   108.08860  -175.87711
   92    90 S   HC   _H62    88     1.09406   110.08254    65.46720
   93    90 S   HC   _H63    89     1.09432   110.52281   -57.22476
   94    87 S   CO4  _C10    67     1.36409   117.24818  -153.55268
   95    94 S   O    _O29    68     1.22346   126.45928     2.05233
   96    94 S   CT   _C25    69     1.49832   109.73156  -178.75573
   97    96 S   HC   _H52    70     1.09142   109.82215   -77.43509
   98    96 S   HC   _H53    71     1.09379   109.24935   162.73505
   99    96 S   HC   _H54    72     1.09341   110.13940    44.46830
  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  11   5   4   3
  18   2   1   1  10   5  18   9   4   2   8   3   2   1   4   6
  13   4  19  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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    48    49    52    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    48    49    50    51    52    53    58    39    40    43    44    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    52    39    40    43  
   41    42    47    48    39  
   40    43    44    45    46    54    41    47    48    49    51    52    53    58    59    60    61    68  
   43    44    45    46    48    51    52    53    58  
   42    47    48    49  
   47    48  
   44    45    46    48    51    52    53    58  
   45    46    52  
   46    52  
   52  
   48    49    50    51  
   49    50    51    52    68    54  
   50    51    52    53    58    63    80    68    69    54    55    56    57  
   51    52    68    54  
   52    53    58    59    60    61    63    65    72    74    80    81    68    69    88    54    55    56    57  
   53    58    59    60    61    62    63    64    80    68    69    54    55    56    57  
   58    59    60    61    68    54  
   55    56    57    58    63    68    69    80  
   56    57    68  
   57    68  
   68  
   59    60    61    62    63    65    72    85    64    68  
   60    61    62    63    64  
   61    62    63    64  
   62    63    65    66    67    70    71    72    73    78    85    86    64    80    68    69  
   63    65    72    85    64    68  
   65    66    67    70    71    72    73    78    79    85    64    87    74    80    81    68    69    88    76  
   87    68    65    72    78    79    85    86  
   66    67    70    71    72    73    78    74    80    68    69    76  
   67    70    71    72    68  
   70    71    72    68  
   69    88    89    82    70    71    72    73    74    75    78    80    81  
   88    72    74    80    81  
   71    72    73    78    74    75    80    82    76    77    84  
   72    73    78    79    85    87    74    75    80    81    88    82    83    76    77    84    90  
   73    78    79    85    86    87    94    74    75    80    82    76    77    84  
   78    79    85    87    74    76  
   75    80    81    88    89    82    83    76    77    84    78  
   80    81    88    82    83    76  
   77    84    90    91    92    93    78    80    82  
   84    90  
   79    85    86    87    94    95    96  
   85    86    87    94  
   81    88    89    82    83  
   88    89    82  
   83    88  
    0  
   90    91    92    93  
   86    87    94  
   87  
   94    95    96    97    98    99  
   89  
    0  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.570000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   99   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   317.000  1.510
   33    48   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   440.000  1.360
   47    48   440.000  1.360
   48    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   268.000  1.529
   51    68   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    39   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    64   320.000  1.410
   63    65   268.000  1.529
   63    72   268.000  1.529
   63    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   320.000  1.410
   71    72   268.000  1.529
   71    74   268.000  1.529
   71    76   317.000  1.522
   72    73   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    85   317.000  1.522
   78    87   320.000  1.410
   85    86   570.000  1.229
   85    64   214.000  1.327
   87    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    82   320.000  1.410
   80    81   340.000  1.090
   80    68   268.000  1.529
   80    88   320.000  1.410
   68    69   340.000  1.090
   88    89   553.000  0.945
   82    83   553.000  0.945
   76    77   570.000  1.229
   76    84   214.000  1.327
   84    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  112.20000
   29    33    48    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    48    47    85.00000  112.85300
   33    48    49    70.00000  124.00000
   33    39    52    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    47    80.00000  120.01400
   41    37    38    40.00000  120.50800
   41    47    48    90.00000  114.05000
   47    41    42    65.00000  121.00000
   47    48    49    80.00000  120.01400
   48    33    37    70.00000  110.12100
   48    49    50    35.00000  120.00000
   48    49    51    70.00000  124.00000
   49    51    52    70.00000  112.02700
   49    51    68    70.00000  112.02700
   49    51    54    70.00000  112.02700
   51    49    50    35.00000  117.00000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    39    58.35000  112.70000
   51    68    63    58.35000  112.70000
   51    68    80    58.35000  112.70000
   51    68    69    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    39    40    37.50000  110.70000
   52    39    43    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    65    58.35000  112.70000
   61    63    72    58.35000  112.70000
   61    63    68    58.35000  112.70000
   61    64    85    83.00000  116.90000
   63    61    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    70    50.00000  109.50000
   63    72    71    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    78    58.35000  112.70000
   63    68    80    58.35000  112.70000
   63    68    69    37.50000  110.70000
   65    70    71    60.00000  109.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    71    72    50.00000  109.50000
   70    71    74    50.00000  109.50000
   70    71    76    90.00000  108.74100
   71    72    73    37.50000  110.70000
   71    72    78    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    80    58.35000  112.70000
   71    74    82    50.00000  109.50000
   71    76    77    80.00000  120.40000
   71    76    84    81.00000  111.40000
   72    63    65    58.35000  112.70000
   72    78    79    37.50000  110.70000
   72    78    85    63.00000  111.10000
   72    78    87    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    85    86    80.00000  120.40000
   78    85    64    81.00000  111.40000
   78    87    94    83.00000  116.90000
   85    78    79    35.00000  109.50000
   64    61    62    35.00000  109.50000
   64    61    63    50.00000  109.50000
   64    85    86    83.00000  123.40000
   87    78    79    35.00000  109.50000
   87    78    85    90.00000  108.74100
   87    94    95    83.00000  123.40000
   87    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   96    94    95    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   74    71    72    58.35000  112.70000
   74    80    81    37.50000  110.70000
   74    80    68    58.35000  112.70000
   74    80    88    50.00000  109.50000
   74    82    83    55.00000  108.50000
   80    74    75    37.50000  110.70000
   80    68    69    37.50000  110.70000
   80    88    89    55.00000  108.50000
   68    51    52    58.35000  112.70000
   68    63    65    58.35000  112.70000
   68    63    72    58.35000  112.70000
   68    80    81    37.50000  110.70000
   88    80    81    35.00000  109.50000
   88    80    68    50.00000  109.50000
   82    74    75    35.00000  109.50000
   82    74    80    50.00000  109.50000
   76    71    72    63.00000  111.10000
   76    71    74    63.00000  111.10000
   76    84    90    83.00000  116.90000
   84    76    77    83.00000  123.40000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    70.00000  112.02700
   39    52    53    37.50000  110.70000
   39    52    58    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   54    51    52    58.35000  112.70000
   54    51    68    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
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   88    80    68    51  -0.17500 -1.0 2.0
   88    80    68    51   0.20800  1.0 3.0
   88    80    68    63   0.86500  1.0 1.0
   88    80    68    63  -0.17500 -1.0 2.0
   88    80    68    63   0.20800  1.0 3.0
   88    80    68    69   0.23400  1.0 3.0
   82    74    80    81   0.23400  1.0 3.0
   82    74    80    68   0.86500  1.0 1.0
   82    74    80    68  -0.17500 -1.0 2.0
   82    74    80    68   0.20800  1.0 3.0
   82    74    80    88   3.75450  1.0 1.0
   76    71    72    63  -0.95700  1.0 1.0
   76    71    72    63  -0.18200 -1.0 2.0
   76    71    72    63   0.29450  1.0 3.0
   76    71    72    73  -0.11250  1.0 3.0
   76    71    72    78  -0.95700  1.0 1.0
   76    71    72    78  -0.18200 -1.0 2.0
   76    71    72    78   0.29450  1.0 3.0
   76    71    74    75  -0.11250  1.0 3.0
   76    71    74    80  -0.95700  1.0 1.0
   76    71    74    80  -0.18200 -1.0 2.0
   76    71    74    80   0.29450  1.0 3.0
   76    71    74    82  -0.09450  1.0 1.0
   76    71    74    82  -1.12950 -1.0 2.0
   76    71    74    82   0.54000  1.0 3.0
   76    84    90    91   0.08050  1.0 3.0
   76    84    90    92   0.08050  1.0 3.0
   76    84    90    93   0.08050  1.0 3.0
   77    76    84    90   3.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    48    47   0.09700  1.0 1.0
   39    33    48    47   0.15600 -1.0 2.0
   39    33    48    47  -0.50800  1.0 3.0
   39    33   -48    49   0.09850  1.0 1.0
   39    33   -48    49   0.15250 -1.0 2.0
   39    33   -48    49  -0.50650  1.0 3.0
   39    52    58    59   0.15000  1.0 3.0
   39    52    58    60   0.15000  1.0 3.0
   39    52    58    61   0.56750  1.0 1.0
   39    52    58    61  -0.07550 -1.0 2.0
   39    52    58    61   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    39   0.56750  1.0 1.0
   54    51    52    39  -0.07550 -1.0 2.0
   54    51    52    39   0.20000  1.0 3.0
   54    51    68    63   0.56750  1.0 1.0
   54    51    68    63  -0.07550 -1.0 2.0
   54    51    68    63   0.20000  1.0 3.0
   54    51    68    80   0.56750  1.0 1.0
   54    51    68    80  -0.07550 -1.0 2.0
   54    51    68    80   0.20000  1.0 3.0
   54    51    68    69   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   42    47    41    37   1.10000 -1.0 2.0
   33    47    48    49   1.10000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   78    64    85    86  10.50000 -1.0 2.0
   87    96    94    95  10.50000 -1.0 2.0
   71    84    76    77  10.50000 -1.0 2.0
END
