* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    155    238     453
    1     0 S   NP   _N1_     1    29.24165    94.41068   -18.56943
    2     1 S   H    _HN1     2     1.02849    42.90129   124.26324
    3     1 S   H    _H1_     3     1.02791    68.19806   -79.68703
    4     1 S   H    _H2_     4     1.02958   104.44322    24.51552
    5     1 S   CT   _CA1     5     1.50095   142.17635  -178.17855
    6     5 S   HC   _HA1     6     1.09563   105.33361    21.62603
    7     5 S   CO3  _C1_     7     1.53921   112.08866   -98.80958
    8     7 S   O2Z  _O11     8     1.26414   115.16450   -49.91318
    9     7 S   O2Z  _O12     9     1.26223   114.89594   129.49131
   10     5 S   CT   _CB1    10     1.53101   107.44556   139.62661
   11    10 S   HC   HB11    11     1.09822   109.72178   -48.63636
   12    10 S   HC   HB12    12     1.09832   110.18977    67.85270
   13    10 S   CT   _CG1    13     1.53130   112.72584  -169.70686
   14    13 S   HC   HG11    14     1.09460   110.49648   -52.20672
   15    13 S   HC   HG12    15     1.09588   110.30028    66.78571
   16    13 S   C    _CD1    16     1.51806   111.39113  -173.29498
   17    16 S   O    _OE1    17     1.22788   122.73521   -24.79764
   18    16 S   N    _N2_    18     1.38545   112.23497   155.87994
   19    18 S   H    _HN2    19     1.01584   119.31207     2.30529
   20    18 S   CT1  _CA2    20     1.46272   123.20821  -176.26079
   21    20 S   HC   _HA2    21     1.09721   109.38274   -12.72890
   22    20 S   C    _C2_    22     1.53383   108.55496  -128.63572
   23    22 S   O    _O2_    23     1.23019   122.21113  -146.64996
   24    20 S   CT   _CB2    32     1.53454   111.28390   109.17884
   25    24 S   HC   HB21    33     1.09415   109.42930    58.68615
   26    24 S   HC   HB22    34     1.09527   110.56105   176.46072
   27    22 S   N    _N3_    24     1.38494   113.38788    40.78640
   28    27 S   H    _HN3    25     1.01526   118.90191    -0.69886
   29    24 S   S    _SG2    35     1.83089   111.79587   -64.37174
   30    27 S   CT   _CA3    26     1.45458   123.48358   175.06672
   31    30 S   HC   HA31    27     1.09521   109.27681    23.37945
   32    30 S   HC   HA32    28     1.09496   107.10172   140.39742
   33    29 S   CT   _C18    36     1.84944   100.39139   139.20496
   34    30 S   CO3  _C3_    29     1.52934   113.13121  -100.12464
   35    34 S   O2Z  _O31    30     1.26405   115.42749   -43.51216
   36    34 S   O2Z  _O32    31     1.26360   114.98050   137.43370
   37    33 S   CM   _C5_    37     1.49625   108.51057   166.41020
   38    37 S   HC   _H30    38     1.08262   124.35601    55.29481
   39    33 S   CM   _C6_    57     1.53438   110.91902   -69.17580
   40    37 S   CMA  _C7_    39     1.33915   111.79197  -126.25564
   41    40 S   OM   _O21    40     1.25678   134.81411  -178.52025
   42    39 S   CT   _C23    58     1.52967   115.27193   -62.38819
   43    42 S   HC   _H48    59     1.09567   111.45545   156.66663
   44    42 S   HC   _H49    60     1.09266   112.32173    37.39143
   45    40 S   CT   _C19    41     1.51958   107.49315     0.45024
   46    42 S   OH   _O26    61     1.42072   110.25710   -83.67416
   47    46 S   HO   _H50    62     0.97471   106.42648  -175.63816
   48    45 S   CT   _C14    42     1.54449   112.49454  -105.08939
   49    48 S   HC   _H34    43     1.09848   110.31887    41.82797
   50    48 S   HC   _H35    44     1.09881   109.28136   -72.13671
   51    33 S   OS   _O25    80     1.42650   108.23758    55.20321
   52    45 S   CT   _C22    81     1.53566   114.37560   125.63940
   53    52 S   HC   _H45    82     1.09555   111.26774  -166.03790
   54    52 S   HC   _H46    83     1.09495   111.98938    72.47287
   55    52 S   HC   _H47    84     1.09687   110.84598   -48.62610
   56    48 S   CT   _C17    45     1.54173   115.74658   164.66941
   57    56 S   HC   _H38    46     1.09667   109.25801    62.96981
   58    56 S   CT   _C16    47     1.54866   115.65002   -59.56944
   59    58 S   HC   _H37    48     1.09287   111.36311    67.88032
   60    56 S   OS   _O27    66     1.45371   106.57788  -179.32507
   61    58 S   CM   _C8_    49     1.50284   114.98903  -174.99226
   62    60 S   CO4  _C13    67     1.35831   117.84697   -88.29438
   63    62 S   O    _O23    68     1.22098   126.99486    -0.19584
   64    61 S   CO4  _C9_    50     1.47574   108.39950   148.87626
   65    64 S   O    _O22    51     1.21719   127.25791   168.83853
   66    61 S   CM   _C10    63     1.33642   130.44657   -30.58268
   67    66 S   HC   _H31    64     1.08439   121.37978    -0.70748
   68    66 S   HC   _H32    65     1.08539   121.62300   179.61896
   69    62 S   CM   _C12    69     1.48475   108.46202  -179.44047
   70    64 S   OS   _O24    52     1.36075   106.76350    -9.89690
   71    69 S   CM   _C11    70     1.34470   120.48312  -135.31740
   72    71 S   HC   _H33    71     1.08918   117.83005  -177.74858
   73    69 S   CT   _C21    76     1.50020   116.92894    46.89015
   74    73 S   HC   _H42    77     1.09487   110.72444   -70.03830
   75    73 S   HC   _H43    78     1.09510   110.41830    50.19764
   76    73 S   HC   _H44    79     1.09521   111.94684   169.82767
   77    58 S   CT   _C15    53     1.52920   115.34226   -59.73787
   78    77 S   HC   _H36    54     1.10031   108.92866   -42.19670
   79    71 S   CT   _C20    72     1.49591   128.16853     4.01644
   80    79 S   HC   _H39    73     1.09403   109.97033  -109.32347
   81    79 S   HC   _H40    74     1.09504   109.34278   132.15656
   82    79 S   HC   _H41    75     1.09249   113.50882    12.78392
   83    77 S   CM   _C4_    55     1.50930   125.95341    83.58787
   84    83 S   HC   _H29    56     1.09608   106.93784  -179.37568
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   2   1   1  10   5  14  11   4   8   4   3  12   2   1  15
   7   6   6   4   2   1   1  14   6  14   8   7   9   9   3   8
   3   4   1   1  10   4   9   5   4   2   1   1   3   2   3   2
   1   1   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    39    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    45    83    39    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    45    48    77    83    84    39    42    43    44    46    51    52  
   35    36  
   36  
    0  
   38    40    41    45    48    83    39    42    51    52  
   40    41    45    39    51  
   42    43    44    46    47    51    40    45    58    70    77    78    83    84  
   41    45    48    49    50    56    51    52    53    54    55  
   45    48    51    52  
   43    44    46    47    51    77    83    84  
   44    46    47    83  
   46    47    83  
   48    49    50    56    57    58    60    51    52    53    54    55  
   47    83  
    0  
   49    50    56    57    58    59    61    77    60    62    51    52    53    54    55  
   50    56    57    58    60    51    52  
   56    57    58    60    51    52  
   52    53    54    55    56    83  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    61    64    70    77    78    83    66    60    62    63    69  
   58    59    61    77    60    62  
   59    61    64    65    70    77    78    83    84    66    67    68    60    62  
   61    64    70    77    78    83    66    60  
   62    63    69    71    73    61    77  
   64    65    70    77    78    83    66    67    68  
   63    69    71    72    79    73    74    75    76  
   69    71    73  
   65    70    77    78    83    66    67    68  
   70    77    66  
   67    68    70    77  
   68  
    0  
   71    72    79    80    81    82    73    74    75    76  
   77    78    83    84  
   72    79    80    81    82    73    74    75    76  
   79    80    81    82    73  
   74    75    76    79  
   75    76  
   76  
    0  
   78    83    84  
   83    84  
   80    81    82  
   81    82  
   82  
    0  
   84  
    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  -0.316400   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   0.486900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.289000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   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   317.000  1.510
   33    39   317.000  1.510
   33    51   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    45   270.000  1.512
   45    48   268.000  1.529
   45    51   320.000  1.410
   45    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   320.000  1.410
   58    59   340.000  1.090
   58    61   317.000  1.510
   58    77   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    70   214.000  1.327
   70    77   320.000  1.410
   77    78   340.000  1.090
   77    83   317.000  1.510
   83    84   340.000  1.080
   83    39   549.000  1.340
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   553.000  0.945
   66    67   340.000  1.080
   66    68   340.000  1.080
   60    62   214.000  1.327
   62    63   570.000  1.229
   62    69   320.000  1.462
   69    71   549.000  1.340
   69    73   317.000  1.510
   71    72   340.000  1.080
   71    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    39    75.00000  112.20000
   29    33    51    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    39    83    70.00000  124.00000
   33    39    42    65.00000  117.92700
   33    51    45    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    45    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    45    48    70.00000  112.02700
   40    45    51    85.00000  110.90400
   40    45    52    70.00000  112.02700
   45    40    41    85.00000  112.85300
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    56    58.35000  112.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    58.35000  112.70000
   48    56    60    50.00000  109.50000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    61    70.00000  112.02700
   56    58    77    58.35000  112.70000
   56    60    62    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    61    64    65.00000  116.34900
   58    61    66    70.00000  124.00000
   58    77    70    50.00000  109.50000
   58    77    78    37.50000  110.70000
   58    77    83    70.00000  112.02700
   61    58    59    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    70    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   64    70    77    83.00000  116.90000
   70    64    65    83.00000  123.40000
   70    77    78    35.00000  109.50000
   70    77    83    85.00000  110.90400
   77    58    59    37.50000  110.70000
   77    58    61    70.00000  112.02700
   77    83    84    35.00000  117.00000
   77    83    39    70.00000  124.00000
   83    77    78    35.00000  109.50000
   83    39    42    70.00000  124.00000
   39    33    37    70.00000  110.12100
   39    83    84    35.00000  120.00000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   60    56    57    35.00000  109.50000
   60    56    58    50.00000  109.50000
   60    62    63    83.00000  123.40000
   60    62    69    90.00000  111.29400
   62    69    71    65.00000  118.96000
   62    69    73    65.00000  116.34900
   69    62    63    80.00000  123.72100
   69    71    72    35.00000  120.00000
   69    71    79    70.00000  124.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   79    71    72    35.00000  117.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    69    71    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   51    33    37    85.00000  110.90400
   51    33    39    85.00000  110.90400
   51    45    48    50.00000  109.50000
   52    45    48    58.35000  112.70000
   52    45    51    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    51   0.13850  1.0 1.0
   24    29    33    51  -1.34450 -1.0 2.0
   24    29    33    51   0.57400  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   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    39    83   0.42700  1.0 1.0
   29    33    39    83  -0.70350 -1.0 2.0
   29    33    39    83  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   29    33    51    45   0.14700  1.0 1.0
   29    33    51    45  -1.16150 -1.0 2.0
   29    33    51    45   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   37    33    39    83  -0.28300  1.0 1.0
   37    33    39    83   0.26700 -1.0 2.0
   37    33    39    83  -0.63300  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    33   -51    45  -0.77900  1.0 1.0
   37    33   -51    45  -0.36900 -1.0 2.0
   37    33   -51    45   0.40400  1.0 3.0
   37    40    45    48   0.09850  1.0 1.0
   37    40    45    48   0.15250 -1.0 2.0
   37    40    45    48  -0.50650  1.0 3.0
   37    40   -45    51   0.39000  1.0 1.0
   37    40   -45    51  -0.05800 -1.0 2.0
   37    40   -45    51  -0.55150  1.0 3.0
   37    40    45    52   0.09850  1.0 1.0
   37    40    45    52   0.15250 -1.0 2.0
   37    40    45    52  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    45   7.00000 -1.0 2.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.15000  1.0 3.0
   40    45    48    56   0.34400  1.0 1.0
   40    45    48    56   0.09450 -1.0 2.0
   40    45    48    56   0.11100  1.0 3.0
   40    45   -51    33  -0.77900  1.0 1.0
   40    45   -51    33  -0.36900 -1.0 2.0
   40    45   -51    33   0.40400  1.0 3.0
   40    45    52    53   0.15000  1.0 3.0
   40    45    52    54   0.15000  1.0 3.0
   40    45    52    55   0.15000  1.0 3.0
   41    40    45    48   0.09700  1.0 1.0
   41    40    45    48   0.15600 -1.0 2.0
   41    40    45    48  -0.50800  1.0 3.0
   41    40    45    51   0.09700  1.0 1.0
   41    40    45    51   0.15600 -1.0 2.0
   41    40    45    51  -0.50800  1.0 3.0
   41    40    45    52   0.09700  1.0 1.0
   41    40    45    52   0.15600 -1.0 2.0
   41    40    45    52  -0.50800  1.0 3.0
   45    48    56    57   0.15000  1.0 3.0
   45    48    56    58   0.56750  1.0 1.0
   45    48    56    58  -0.07550 -1.0 2.0
   45    48    56    58   0.20000  1.0 3.0
   45    48    56    60   0.62750  1.0 1.0
   45    48    56    60  -0.30950 -1.0 2.0
   45    48    56    60   0.27300  1.0 3.0
   48    45    51    33   0.06250  1.0 1.0
   48    45    51    33  -0.01100 -1.0 2.0
   48    45    51    33   0.28050  1.0 3.0
   48    45    52    53   0.15000  1.0 3.0
   48    45    52    54   0.15000  1.0 3.0
   48    45    52    55   0.15000  1.0 3.0
   48    56    58    59   0.15000  1.0 3.0
   48    56    58    61   0.34400  1.0 1.0
   48    56    58    61   0.09450 -1.0 2.0
   48    56    58    61   0.11100  1.0 3.0
   48    56    58    77   0.56750  1.0 1.0
   48    56    58    77  -0.07550 -1.0 2.0
   48    56    58    77   0.20000  1.0 3.0
   48    56    60    62  -0.25900  1.0 1.0
   48    56    60    62  -0.47000 -1.0 2.0
   48    56    60    62   0.11750  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    60   0.23400  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    60   0.23400  1.0 3.0
   56    58    61    64   0.09700  1.0 1.0
   56    58    61    64   0.15600 -1.0 2.0
   56    58    61    64  -0.50800  1.0 3.0
   56    58    61    66   0.09850  1.0 1.0
   56    58    61    66   0.15250 -1.0 2.0
   56    58    61    66  -0.50650  1.0 3.0
   56    58    77    70   0.62750  1.0 1.0
   56    58    77    70  -0.30950 -1.0 2.0
   56    58    77    70   0.27300  1.0 3.0
   56    58    77    78   0.15000  1.0 3.0
   56    58    77    83   0.34400  1.0 1.0
   56    58    77    83   0.09450 -1.0 2.0
   56    58    77    83   0.11100  1.0 3.0
   56    60    62    63   3.00000 -1.0 2.0
   56    60    62    69   2.00000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    58    77   0.15000  1.0 3.0
   57    56    60    62   0.08050  1.0 3.0
   58    56    60    62  -0.25900  1.0 1.0
   58    56    60    62  -0.47000 -1.0 2.0
   58    56    60    62   0.11750  1.0 3.0
   58    61    64    65  -0.64400  1.0 1.0
   58    61    64    65   0.26850 -1.0 2.0
   58    61   -64    70  -0.15000  1.0 1.0
   58    61   -64    70   0.89550 -1.0 2.0
   58    61   -64    70  -0.06900  1.0 3.0
   58    61    66    67   7.00000 -1.0 2.0
   58    61    66    68   7.00000 -1.0 2.0
   58    77    83    84   0.00000  1.0 1.0
   58    77    83    39   0.09850  1.0 1.0
   58    77    83    39   0.15250 -1.0 2.0
   58    77    83    39  -0.50650  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    66   0.00000  1.0 1.0
   59    58    77    70   0.23400  1.0 3.0
   59    58    77    78   0.15000  1.0 3.0
   59    58    77    83   0.15000  1.0 3.0
   61    58   -77    70   0.61850  1.0 1.0
   61    58   -77    70  -0.22750 -1.0 2.0
   61    58   -77    70   0.15300  1.0 3.0
   61    58    77    78   0.15000  1.0 3.0
   61    58    77    83   0.31000  1.0 1.0
   61    58    77    83   0.14700 -1.0 2.0
   61    58    77    83   0.07550  1.0 3.0
   61    64   -70    77   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   64    70   -77    58  -0.25900  1.0 1.0
   64    70   -77    58  -0.47000 -1.0 2.0
   64    70   -77    58   0.11750  1.0 3.0
   64    70    77    78   0.08050  1.0 3.0
   64    70    77    83  -0.82050  1.0 1.0
   64    70    77    83   0.00600 -1.0 2.0
   64    70    77    83   0.04400  1.0 3.0
   65    64    70    77   3.00000 -1.0 2.0
   70    77    83    84   0.00000  1.0 1.0
   70    77    83    39   0.39000  1.0 1.0
   70    77    83    39  -0.05800 -1.0 2.0
   70    77    83    39  -0.55150  1.0 3.0
   77    58   -61    64   0.09700  1.0 1.0
   77    58   -61    64   0.15600 -1.0 2.0
   77    58   -61    64  -0.50800  1.0 3.0
   77    58    61    66   0.09850  1.0 1.0
   77    58    61    66   0.15250 -1.0 2.0
   77    58    61    66  -0.50650  1.0 3.0
   77    83    39    33   7.00000 -1.0 2.0
   77    83    39    42   7.00000 -1.0 2.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    39   0.00000  1.0 1.0
   83    39    42    43   0.00000  1.0 1.0
   83    39    42    44   0.00000  1.0 1.0
   83    39    42    46   0.67800  1.0 1.0
   83    39    42    46   0.47050 -1.0 2.0
   83    39    42    46  -0.62500  1.0 3.0
   84    83    39    33   7.00000 -1.0 2.0
   84    83    39    42   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    51    45  -0.77900  1.0 1.0
   39    33    51    45  -0.36900 -1.0 2.0
   39    33    51    45   0.40400  1.0 3.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   0.19450  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    70  -0.56150  1.0 1.0
   66    61    64    70   2.19150 -1.0 2.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    61   0.61850  1.0 1.0
   60    56    58    61  -0.22750 -1.0 2.0
   60    56    58    61   0.15300  1.0 3.0
   60    56    58    77   0.62750  1.0 1.0
   60    56    58    77  -0.30950 -1.0 2.0
   60    56    58    77   0.27300  1.0 3.0
   60    62    69    71  -0.56150  1.0 1.0
   60    62    69    71   2.19150 -1.0 2.0
   60    62    69    73  -0.15000  1.0 1.0
   60    62    69    73   0.89550 -1.0 2.0
   60    62    69    73  -0.06900  1.0 3.0
   62    69    71    72   7.00000 -1.0 2.0
   62    69    71    79   7.00000 -1.0 2.0
   62    69    73    74   0.15000  1.0 3.0
   62    69    73    75   0.15000  1.0 3.0
   62    69    73    76   0.15000  1.0 3.0
   63    62    69    71   1.00000 -1.0 2.0
   63    62    69    73  -0.64400  1.0 1.0
   63    62    69    73   0.26850 -1.0 2.0
   69    71    79    80   0.00000  1.0 1.0
   69    71    79    81   0.00000  1.0 1.0
   69    71    79    82   0.00000  1.0 1.0
   71    69    73    74   0.00000  1.0 1.0
   71    69    73    75   0.00000  1.0 1.0
   71    69    73    76   0.00000  1.0 1.0
   72    71    79    80   0.33100  1.0 3.0
   72    71    79    81   0.33100  1.0 3.0
   72    71    79    82   0.33100  1.0 3.0
   73    69    71    72   7.00000 -1.0 2.0
   73    69    71    79   7.00000 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40   0.39000  1.0 1.0
   51    33   -37    40  -0.05800 -1.0 2.0
   51    33   -37    40  -0.55150  1.0 3.0
   51    33    39    83   0.39000  1.0 1.0
   51    33    39    83  -0.05800 -1.0 2.0
   51    33    39    83  -0.55150  1.0 3.0
   51    33    39    42   0.09700  1.0 1.0
   51    33    39    42   0.15600 -1.0 2.0
   51    33    39    42  -0.50800  1.0 3.0
   51    45    48    49   0.23400  1.0 3.0
   51    45    48    50   0.23400  1.0 3.0
   51    45    48    56   0.62750  1.0 1.0
   51    45    48    56  -0.30950 -1.0 2.0
   51    45    48    56   0.27300  1.0 3.0
   51    45    52    53   0.23400  1.0 3.0
   51    45    52    54   0.23400  1.0 3.0
   51    45    52    55   0.23400  1.0 3.0
   52    45    48    49   0.15000  1.0 3.0
   52    45    48    50   0.15000  1.0 3.0
   52    45    48    56   0.56750  1.0 1.0
   52    45    48    56  -0.07550 -1.0 2.0
   52    45    48    56   0.20000  1.0 3.0
   52    45    51    33   0.06250  1.0 1.0
   52    45    51    33  -0.01100 -1.0 2.0
   52    45    51    33   0.28050  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    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   58    64    61    66   1.10000 -1.0 2.0
   61    70    64    65  10.50000 -1.0 2.0
   77    84    83    39   1.10000 -1.0 2.0
   33    42    39    83   1.10000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   60    69    62    63  10.50000 -1.0 2.0
   62    73    69    71  15.00000 -1.0 2.0
   79    72    71    69  15.00000 -1.0 2.0
END
