* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    165    261     493
    1     0 S   NP   _N1_     1    28.58372    95.41965   -23.09061
    2     1 S   H    _HN1     2     1.02777   101.41496   -77.67950
    3     1 S   H    _H1_     3     1.02962    78.60889    28.99159
    4     1 S   H    _H2_     4     1.02837    33.38015   177.02928
    5     1 S   CT   _CA1     5     1.50131   139.02940   137.02305
    6     5 S   HC   _HA1     6     1.09576   105.20999    81.32766
    7     5 S   CO3  _C1_     7     1.53781   112.44272   -38.82168
    8     7 S   O2Z  _O11     8     1.26355   114.99612   -42.11379
    9     7 S   O2Z  _O12     9     1.26243   114.92622   137.02992
   10     5 S   CT   _CB1    10     1.53098   107.42286  -160.77622
   11    10 S   HC   HB11    11     1.09824   109.27530   -50.84021
   12    10 S   HC   HB12    12     1.09819   110.42035    65.69547
   13    10 S   CT   _CG1    13     1.53010   112.71472  -171.96786
   14    13 S   HC   HG11    14     1.09597   110.42002   -64.79237
   15    13 S   HC   HG12    15     1.09655   109.98273    54.42845
   16    13 S   C    _CD1    16     1.51828   112.36455   174.73705
   17    16 S   O    _OE1    17     1.22716   123.27065    -2.06678
   18    16 S   N    _N2_    18     1.38636   111.61435   178.25695
   19    18 S   H    _HN2    19     1.01576   118.99654     1.27886
   20    18 S   CT1  _CA2    20     1.46197   123.42418   179.82868
   21    20 S   HC   _HA2    21     1.09734   109.44948    -5.35127
   22    20 S   C    _C2_    22     1.53471   108.37839  -120.99390
   23    22 S   O    _O2_    23     1.23032   122.21183  -144.91428
   24    20 S   CT   _CB2    32     1.53371   111.51737   116.73856
   25    24 S   HC   HB21    33     1.09582   109.90809    55.75937
   26    24 S   HC   HB22    34     1.09434   109.86453   174.81654
   27    22 S   N    _N3_    24     1.38491   113.45496    42.35781
   28    27 S   H    _HN3    25     1.01509   118.95937    -0.52749
   29    24 S   S    _SG2    35     1.82603   111.66489   -65.41199
   30    27 S   CT   _CA3    26     1.45459   123.50166   175.24222
   31    30 S   HC   HA31    27     1.09518   109.32239    22.91544
   32    30 S   HC   HA32    28     1.09498   107.10380   139.92325
   33    29 S   CT   _C23    36     1.84777   100.06563   167.36766
   34    33 S   HC   _H5_    37     1.09742   108.28097   -46.15300
   35    30 S   CO3  _C3_    29     1.52916   113.03587  -100.62534
   36    35 S   O2Z  _O31    30     1.26406   115.36407   -45.57376
   37    35 S   O2Z  _O32    31     1.26348   115.00797   135.33440
   38    33 S   CM   _C11    38     1.51382   110.41549    73.45674
   39    33 S   CM   _C7_    50     1.52143   107.87448  -163.22145
   40    38 S   CM   _C12    39     1.34352   121.25653   -96.68730
   41    40 S   HC   _H13    40     1.08778   119.11465     0.39614
   42    39 S   CT   _C5_    51     1.53501   114.31286    84.48506
   43    42 S   HC   _H9_    52     1.09879   107.69959   -14.08444
   44    40 S   CT   _C13    41     1.49753   124.61186   178.21261
   45    44 S   HC   _H3_    42     1.09400   107.63932  -114.43835
   46    42 S   CT   _C4_    53     1.53061   111.34591   102.29000
   47    46 S   HC   _H6_    54     1.09499   111.90527    66.92944
   48    46 S   HC   _H7_    55     1.09563   111.01600   -53.78010
   49    46 S   HC   _H8_    56     1.09551   110.51382  -173.14886
   50    42 S   CT   _C6_    57     1.53239   114.59966  -130.60655
   51    50 S   HC   _H10    58     1.09399   112.51963   -73.95907
   52    50 S   HC   _H11    59     1.09604   110.05710   166.93746
   53    50 S   HC   _H12    60     1.09532   111.15036    47.92046
   54    44 S   CT   _C14    43     1.55402   113.81023     8.57538
   55    54 S   HC   _H4_    44     1.10471   105.40108    75.58575
   56    44 S   OH   _O33    85     1.42623   107.10845   130.10321
   57    56 S   HO   _H29    86     0.97227   107.85211    62.26358
   58    54 S   CT   _C15    45     1.58546   111.41941   -37.42714
   59    38 S   CM   _C10    46     1.46890   116.99512    82.99336
   60    58 S   CT   _C16    63     1.55408   108.37059  -179.87180
   61    60 S   HC   _H14    64     1.09820   109.61330   -68.98949
   62    60 S   HC   _H15    65     1.09716   110.35029   172.92305
   63    58 S   CT   _C22    81     1.55164   114.41190   -59.62849
   64    63 S   HC   _H26    82     1.09044   113.12062   -76.04977
   65    63 S   HC   _H27    83     1.09789   110.54271   165.79077
   66    63 S   HC   _H28    84     1.09408   113.04631    45.87725
   67    59 S   CM   _C9_    47     1.35671   117.45252    23.91978
   68    60 S   CT   _C17    66     1.52402   114.69052    51.49217
   69    68 S   HC   _H16    67     1.09402   111.31005    65.72042
   70    68 S   HC   _H17    68     1.09691   108.83899  -177.86879
   71    67 S   CMA  _C8_    48     1.49232   123.33928     4.95970
   72    71 S   OM   _O35    49     1.26368   111.20239   160.90348
   73    67 S   OH   _O34    61     1.38733   121.34251  -175.61724
   74    73 S   HO   _H30    62     0.97528   105.80822  -176.06508
   75    68 S   CT   _C18    69     1.51743   110.86318   -58.08258
   76    75 S   HC   _H18    70     1.09770   108.90534  -178.96108
   77    75 S   HC   _H19    71     1.09886   108.26381   -64.17675
   78    54 S   CT   _C19    72     1.58543   113.97870  -171.55692
   79    78 S   CT   _C20    73     1.55119   111.02303   -63.89694
   80    79 S   HC   _H20    74     1.09412   112.12624    73.03373
   81    79 S   HC   _H21    75     1.09553   111.41430   -48.67999
   82    79 S   HC   _H22    76     1.09697   110.98642  -168.19757
   83    78 S   CT   _C21    77     1.54243   114.16380    55.92959
   84    83 S   HC   _H23    78     1.09424   111.93907   -61.42499
   85    83 S   HC   _H24    79     1.09721   110.53834  -179.91844
   86    83 S   HC   _H25    80     1.08845   113.30656    60.80219
  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   8   5   4   3
  15   6   2   1   1  15  16  11   5  12   9  13   6   8   3   2
   1   4   2   1   1  26   9   3   1  18  14  14   6   5   6   2
   1   1   4   8   5   4   3   1   1   1  11   4   3   8   7   3
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    59    71    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    58    59    67    71    72    39    42    43    46    50  
   38    40    59    71    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    58    59    67    71    39    42    73    60    63    56  
   42    43    46    47    48    49    50    51    52    53    73    40    59    67    71    72  
   41    44    45    54    55    58    59    67    78    56    57  
   44    45    54    59    56  
   43    46    47    48    49    50    51    52    53    67    71    72  
   46    47    48    49    50    51    52    53    71  
   45    54    55    58    59    60    75    78    79    83    63    56    57  
   54    55    58    78    56    57  
   47    48    49    50    51    52    53    71  
   48    49    50  
   49    50  
   50  
   51    52    53    71  
   52    53  
   53  
    0  
   55    58    59    67    60    61    62    68    75    76    77    78    79    80    81    82    83    84    85    86    63    64    65    66    56    57  
   58    59    60    75    78    79    83    63    56  
   57    58    78  
    0  
   59    67    71    73    60    61    62    68    69    70    75    78    79    83    63    64    65    66  
   67    71    72    73    74    60    61    62    68    78    63    64    65    66  
   61    62    68    69    70    75    76    77    78    63    64    65    66    67  
   62    68    69    70    75    63  
   68    69    70    75    63  
   64    65    66    67    68    78  
   65    66  
   66  
    0  
   71    72    73    74  
   69    70    75    76    77    78    79    83  
   70    75    76    77    78  
   75    76    77    78  
   72    73    74  
   73  
   74  
    0  
   76    77    78    79    80    81    82    83    84    85    86  
   77    78    79    83  
   78    79    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   72   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   73   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    59   380.000  1.444
   40    41   340.000  1.080
   40    44   317.000  1.510
   44    45   340.000  1.090
   44    54   268.000  1.529
   44    56   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    78   268.000  1.529
   58    59   317.000  1.510
   58    60   268.000  1.529
   58    63   268.000  1.529
   59    67   549.000  1.340
   67    71   465.000  1.376
   67    73   510.000  1.338
   71    72   745.000  1.250
   71    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   73    74   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    57   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    59    70.00000  124.00000
   33    39    71    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    70.00000  124.00000
   38    59    58    70.00000  124.00000
   38    59    67    70.00000  123.01800
   40    44    45    35.00000  109.50000
   40    44    54    70.00000  112.02700
   40    44    56    90.00000  110.39200
   44    40    41    35.00000  117.00000
   44    54    55    37.50000  110.70000
   44    54    58    58.35000  112.70000
   44    54    78    58.35000  112.70000
   44    56    57    55.00000  108.50000
   54    44    45    37.50000  110.70000
   54    58    59    70.00000  112.02700
   54    58    60    58.35000  112.70000
   54    58    63    58.35000  112.70000
   54    78    75    58.35000  112.70000
   54    78    79    58.35000  112.70000
   54    78    83    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    59    67    70.00000  124.00000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    68    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   59    38    40    70.00000  123.01800
   59    67    71    70.00000  117.34000
   59    67    73    80.00000  121.38400
   67    71    72    65.00000  137.10300
   67    71    39    70.00000  123.01800
   67    73    74    70.00000  107.45700
   71    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    71    72    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    46    70.00000  112.02700
   39    42    50    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   46    42    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   73    67    71    80.00000  121.38400
   60    58    59    70.00000  112.02700
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    75    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   75    68    69    37.50000  110.70000
   75    68    70    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    54    55    37.50000  110.70000
   78    54    58    58.35000  112.70000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   63    58    59    70.00000  112.02700
   63    58    60    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    44    45    35.00000  109.50000
   56    44    54    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    59   0.42700  1.0 1.0
   29    33    38    59  -0.70350 -1.0 2.0
   29    33    38    59  -0.43150  1.0 3.0
   29    33    39    71   0.42700  1.0 1.0
   29    33    39    71  -0.70350 -1.0 2.0
   29    33    39    71  -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
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    59    58   0.35650  1.0 1.0
   33    38    59    58   0.31450 -1.0 2.0
   33    38    59    67  -0.18600  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   33    39    42    50   0.46850  1.0 1.0
   33    39    42    50   0.08550 -1.0 2.0
   33    39    42    50   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    71   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    71  -0.28300  1.0 1.0
   38    33    39    71   0.26700 -1.0 2.0
   38    33    39    71  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    44    45   0.00000  1.0 1.0
   38    40    44    54   0.09850  1.0 1.0
   38    40    44    54   0.15250 -1.0 2.0
   38    40    44    54  -0.50650  1.0 3.0
   38    40    44    56   0.67800  1.0 1.0
   38    40    44    56   0.47050 -1.0 2.0
   38    40    44    56  -0.62500  1.0 3.0
   38    59   -67    71   7.00000 -1.0 2.0
   38    59    67    73   7.00000 -1.0 2.0
   40    38    59    58  -0.18600  1.0 3.0
   40    38    59    67   0.28850  1.0 1.0
   40    38    59    67   2.61350 -1.0 2.0
   40    38    59    67   0.78400  1.0 3.0
   40    44    54    55   0.15000  1.0 3.0
   40    44   -54    58   0.34400  1.0 1.0
   40    44   -54    58   0.09450 -1.0 2.0
   40    44   -54    58   0.11100  1.0 3.0
   40    44    54    78   0.34400  1.0 1.0
   40    44    54    78   0.09450 -1.0 2.0
   40    44    54    78   0.11100  1.0 3.0
   40    44    56    57  -0.07800  1.0 1.0
   40    44    56    57  -0.21500 -1.0 2.0
   40    44    56    57  -0.03150  1.0 3.0
   41    40    44    45   0.33100  1.0 3.0
   41    40    44    54   0.00000  1.0 1.0
   41    40    44    56   0.00000  1.0 1.0
   44    54    58    59   0.34400  1.0 1.0
   44    54    58    59   0.09450 -1.0 2.0
   44    54    58    59   0.11100  1.0 3.0
   44    54    58    60   0.56750  1.0 1.0
   44    54    58    60  -0.07550 -1.0 2.0
   44    54    58    60   0.20000  1.0 3.0
   44    54    58    63   0.56750  1.0 1.0
   44    54    58    63  -0.07550 -1.0 2.0
   44    54    58    63   0.20000  1.0 3.0
   44    54    78    75   0.56750  1.0 1.0
   44    54    78    75  -0.07550 -1.0 2.0
   44    54    78    75   0.20000  1.0 3.0
   44    54    78    79   0.56750  1.0 1.0
   44    54    78    79  -0.07550 -1.0 2.0
   44    54    78    79   0.20000  1.0 3.0
   44    54    78    83   0.56750  1.0 1.0
   44    54    78    83  -0.07550 -1.0 2.0
   44    54    78    83   0.20000  1.0 3.0
   45    44    54    55   0.15000  1.0 3.0
   45    44    54    58   0.15000  1.0 3.0
   45    44    54    78   0.15000  1.0 3.0
   45    44    56    57   0.19450  1.0 3.0
   54    44    56    57  -0.11600  1.0 1.0
   54    44    56    57  -0.09450 -1.0 2.0
   54    44    56    57   0.21250  1.0 3.0
   54    58   -59    38   0.98200  1.0 1.0
   54    58   -59    38  -0.11900 -1.0 2.0
   54    58   -59    38   0.24250  1.0 3.0
   54    58    59    67   0.09850  1.0 1.0
   54    58    59    67   0.15250 -1.0 2.0
   54    58    59    67  -0.50650  1.0 3.0
   54    58    60    61   0.15000  1.0 3.0
   54    58    60    62   0.15000  1.0 3.0
   54    58    60    68   0.56750  1.0 1.0
   54    58    60    68  -0.07550 -1.0 2.0
   54    58    60    68   0.20000  1.0 3.0
   54    58    63    64   0.15000  1.0 3.0
   54    58    63    65   0.15000  1.0 3.0
   54    58    63    66   0.15000  1.0 3.0
   54    78    79    80   0.15000  1.0 3.0
   54    78    79    81   0.15000  1.0 3.0
   54    78    79    82   0.15000  1.0 3.0
   54    78    83    84   0.15000  1.0 3.0
   54    78    83    85   0.15000  1.0 3.0
   54    78    83    86   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    63   0.15000  1.0 3.0
   55    54    78    75   0.15000  1.0 3.0
   55    54    78    79   0.15000  1.0 3.0
   55    54    78    83   0.15000  1.0 3.0
   58    54    78    75   0.56750  1.0 1.0
   58    54    78    75  -0.07550 -1.0 2.0
   58    54    78    75   0.20000  1.0 3.0
   58    54    78    79   0.56750  1.0 1.0
   58    54    78    79  -0.07550 -1.0 2.0
   58    54    78    79   0.20000  1.0 3.0
   58    54    78    83   0.56750  1.0 1.0
   58    54    78    83  -0.07550 -1.0 2.0
   58    54    78    83   0.20000  1.0 3.0
   58    59    67    71   7.00000 -1.0 2.0
   58    59    67    73   7.00000 -1.0 2.0
   58    60    68    69   0.15000  1.0 3.0
   58    60    68    70   0.15000  1.0 3.0
   58    60   -68    75   0.56750  1.0 1.0
   58    60   -68    75  -0.07550 -1.0 2.0
   58    60   -68    75   0.20000  1.0 3.0
   59    38    40    41   7.00000 -1.0 2.0
   59    38   -40    44   7.00000 -1.0 2.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    68   0.34400  1.0 1.0
   59    58    60    68   0.09450 -1.0 2.0
   59    58    60    68   0.11100  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    67    71    72   7.00000 -1.0 2.0
   59    67    71    39   7.00000 -1.0 2.0
   59    67    73    74  -0.66100  1.0 1.0
   59    67    73    74   1.20850 -1.0 2.0
   59    67    73    74  -0.36000  1.0 3.0
   67    71   -39    33   7.00000 -1.0 2.0
   67    71    39    42   7.00000 -1.0 2.0
   71    67    73    74  -0.66100  1.0 1.0
   71    67    73    74   1.20850 -1.0 2.0
   71    67    73    74  -0.36000  1.0 3.0
   71    39    42    43   0.00000  1.0 1.0
   71    39    42    46   0.09850  1.0 1.0
   71    39    42    46   0.15250 -1.0 2.0
   71    39    42    46  -0.50650  1.0 3.0
   71    39    42    50   0.09850  1.0 1.0
   71    39    42    50   0.15250 -1.0 2.0
   71    39    42    50  -0.50650  1.0 3.0
   72    71    39    33   7.00000 -1.0 2.0
   72    71    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33   -38    59  -0.28300  1.0 1.0
   39    33   -38    59   0.26700 -1.0 2.0
   39    33   -38    59  -0.63300  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   39    42    50    51   0.15000  1.0 3.0
   39    42    50    52   0.15000  1.0 3.0
   39    42    50    53   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   46    42    50    51   0.15000  1.0 3.0
   46    42    50    52   0.15000  1.0 3.0
   46    42    50    53   0.15000  1.0 3.0
   50    42    46    47   0.15000  1.0 3.0
   50    42    46    48   0.15000  1.0 3.0
   50    42    46    49   0.15000  1.0 3.0
   73    67    71    72   7.00000 -1.0 2.0
   73    67    71    39   7.00000 -1.0 2.0
   60    58    59    38   0.98200  1.0 1.0
   60    58    59    38  -0.11900 -1.0 2.0
   60    58    59    38   0.24250  1.0 3.0
   60    58    59    67   0.09850  1.0 1.0
   60    58    59    67   0.15250 -1.0 2.0
   60    58    59    67  -0.50650  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   60    68    75    76   0.15000  1.0 3.0
   60    68    75    77   0.15000  1.0 3.0
   60    68    75    78   0.56750  1.0 1.0
   60    68    75    78  -0.07550 -1.0 2.0
   60    68    75    78   0.20000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    75   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    75   0.15000  1.0 3.0
   68    75   -78    54   0.56750  1.0 1.0
   68    75   -78    54  -0.07550 -1.0 2.0
   68    75   -78    54   0.20000  1.0 3.0
   68    75    78    79   0.56750  1.0 1.0
   68    75    78    79  -0.07550 -1.0 2.0
   68    75    78    79   0.20000  1.0 3.0
   68    75    78    83   0.56750  1.0 1.0
   68    75    78    83  -0.07550 -1.0 2.0
   68    75    78    83   0.20000  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   70    68    75    76   0.15000  1.0 3.0
   70    68    75    77   0.15000  1.0 3.0
   70    68    75    78   0.15000  1.0 3.0
   75    78    79    80   0.15000  1.0 3.0
   75    78    79    81   0.15000  1.0 3.0
   75    78    79    82   0.15000  1.0 3.0
   75    78    83    84   0.15000  1.0 3.0
   75    78    83    85   0.15000  1.0 3.0
   75    78    83    86   0.15000  1.0 3.0
   76    75    78    54   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    83   0.15000  1.0 3.0
   77    75    78    54   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    83   0.15000  1.0 3.0
   78    54    58    59   0.34400  1.0 1.0
   78    54    58    59   0.09450 -1.0 2.0
   78    54    58    59   0.11100  1.0 3.0
   78    54   -58    60   0.56750  1.0 1.0
   78    54   -58    60  -0.07550 -1.0 2.0
   78    54   -58    60   0.20000  1.0 3.0
   78    54    58    63   0.56750  1.0 1.0
   78    54    58    63  -0.07550 -1.0 2.0
   78    54    58    63   0.20000  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   63    58    59    38   0.98200  1.0 1.0
   63    58    59    38  -0.11900 -1.0 2.0
   63    58    59    38   0.24250  1.0 3.0
   63    58    59    67   0.09850  1.0 1.0
   63    58    59    67   0.15250 -1.0 2.0
   63    58    59    67  -0.50650  1.0 3.0
   63    58    60    61   0.15000  1.0 3.0
   63    58    60    62   0.15000  1.0 3.0
   63    58    60    68   0.56750  1.0 1.0
   63    58    60    68  -0.07550 -1.0 2.0
   63    58    60    68   0.20000  1.0 3.0
   56    44    54    55   0.23400  1.0 3.0
   56    44    54    58   0.86500  1.0 1.0
   56    44    54    58  -0.17500 -1.0 2.0
   56    44    54    58   0.20800  1.0 3.0
   56    44    54    78   0.86500  1.0 1.0
   56    44    54    78  -0.17500 -1.0 2.0
   56    44    54    78   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    59    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   38    58    59    67   1.10000 -1.0 2.0
   71    73    67    59   1.10000 -1.0 2.0
   67    72    71    39   1.10000 -1.0 2.0
   33    42    39    71   1.10000 -1.0 2.0
END
