* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    244     475
    1     0 S   NP   _N1_     1    29.09695   100.18510   -19.98208
    2     1 S   H    _HN1     2     1.02773    91.26347  -100.94255
    3     1 S   H    _H1_     3     1.02953    57.58326    10.14154
    4     1 S   H    _H2_     4     1.02833    60.63333   149.14069
    5     1 S   CT   _CA1     5     1.50130   156.39971    75.10087
    6     5 S   HC   _HA1     6     1.09570   105.19475   122.70729
    7     5 S   CO3  _C1_     7     1.53783   112.49968     2.52701
    8     7 S   O2Z  _O11     8     1.26385   114.92413   -39.63308
    9     7 S   O2Z  _O12     9     1.26229   115.01797   139.57698
   10     5 S   CT   _CB1    10     1.53118   107.43596  -119.24024
   11    10 S   HC   HB11    11     1.09819   109.40105   -49.29719
   12    10 S   HC   HB12    12     1.09812   110.44927    67.38528
   13    10 S   CT   _CG1    13     1.52916   112.52365  -170.30158
   14    13 S   HC   HG11    14     1.09527   110.46812   -65.39119
   15    13 S   HC   HG12    15     1.09670   109.82624    53.66411
   16    13 S   C    _CD1    16     1.51836   112.55784   174.11617
   17    16 S   O    _OE1    17     1.22712   123.40056     2.82119
   18    16 S   N    _N2_    18     1.38459   111.48045  -177.34945
   19    18 S   H    _HN2    19     1.01786   118.55145     4.28834
   20    18 S   CT1  _CA2    20     1.45863   123.40032   176.48136
   21    20 S   HC   _HA2    21     1.09704   109.23962    21.04140
   22    20 S   C    _C2_    22     1.52920   106.78136   -95.95455
   23    22 S   O    _O2_    23     1.22971   123.07369   -26.91481
   24    20 S   CT   _CB2    32     1.53202   111.51335   144.70808
   25    24 S   HC   HB21    33     1.09312   109.11721    48.70679
   26    24 S   HC   HB22    34     1.09511   110.78481   167.06892
   27    22 S   N    _N3_    24     1.38501   112.53406   155.86605
   28    27 S   H    _HN3    25     1.01653   120.38614    -2.20673
   29    24 S   S    _SG2    35     1.82995   110.83637   -73.87325
   30    27 S   CT   _CA3    26     1.45357   122.46235   178.57234
   31    30 S   HC   HA31    27     1.09567   107.79689   -56.01233
   32    30 S   HC   HA32    28     1.09563   107.62143    60.31816
   33    29 S   CT   _C19    36     1.87142   102.47421   148.96340
   34    30 S   CO3  _C3_    29     1.52886   114.33222  -177.91672
   35    34 S   O2Z  _O31    30     1.26335   116.06681    -0.23739
   36    34 S   O2Z  _O32    31     1.26439   114.41171   179.73459
   37    33 S   CT   _C13    37     1.55961   109.52818   -68.53837
   38    37 S   HC   _H34    38     1.09548   110.16456  -176.29578
   39    37 S   HC   _H35    39     1.09939   107.79566    74.19308
   40    33 S   CT   _C17    58     1.57002   106.56483   167.93214
   41    40 S   HC   _H39    59     1.08832   109.86367    50.95231
   42    33 S   CT   _C23    85     1.54702   109.10998    50.42159
   43    42 S   HC   _H50    86     1.09568   112.28017    54.85631
   44    42 S   HC   _H51    87     1.09472   112.55207   -66.59401
   45    42 S   HC   _H52    88     1.09579   110.78766   174.97828
   46    37 S   CT   _C18    40     1.54999   121.23175   -47.86340
   47    46 S   HC   _H40    41     1.09609   109.24984    65.53914
   48    40 S   OH   _O25    60     1.43763   109.55059   -64.01384
   49    48 S   HO   _H54    61     0.97203   107.87241   166.98932
   50    46 S   CT   _C16    42     1.54633   117.20333   -56.47578
   51    50 S   HC   _H38    43     1.09287   108.78205    67.40305
   52    46 S   OS   _O26    71     1.45519   106.42920  -177.90165
   53    50 S   CM   _C6_    44     1.49664   111.60383  -172.91673
   54    52 S   CO4  _C11    72     1.36040   117.38983   -87.59569
   55    54 S   O    _O22    73     1.22177   126.75228     1.92224
   56    53 S   CO4  _C7_    45     1.47421   109.40805   102.71819
   57    56 S   O    _O21    46     1.21709   127.21935  -170.62826
   58    53 S   CM   _C8_    68     1.33521   128.22352   -79.28550
   59    58 S   HC   _H29    69     1.08485   120.88300     1.25601
   60    58 S   HC   _H30    70     1.08529   121.67634  -179.09496
   61    54 S   CM   _C10    74     1.48444   108.73832  -177.64017
   62    56 S   OS   _O23    47     1.36275   106.91982     8.73440
   63    61 S   CM   _C9_    75     1.34484   120.52803  -137.39909
   64    63 S   HC   _H31    76     1.08926   117.77168  -177.44419
   65    61 S   CT   _C22    81     1.50023   117.02267    45.21500
   66    65 S   HC   _H47    82     1.09470   110.60389   -72.36237
   67    65 S   HC   _H48    83     1.09489   110.51572    47.94305
   68    65 S   HC   _H49    84     1.09520   111.94379   167.56039
   69    50 S   CT   _C14    48     1.53133   115.12380   -59.19957
   70    69 S   HC   _H36    49     1.08756   113.17029    18.41404
   71    63 S   CT   _C21    77     1.49580   128.25241     4.24681
   72    71 S   HC   _H44    78     1.09400   109.99777  -108.26772
   73    71 S   HC   _H45    79     1.09507   109.33051   133.20784
   74    71 S   HC   _H46    80     1.09251   113.49471    13.92812
   75    69 S   CM   _C4_    50     1.50981   112.97634   145.69867
   76    75 S   HC   _H28    51     1.09162   112.78185    78.13485
   77    75 S   CM   _C5_    52     1.35015   130.74977  -103.36130
   78    77 S   CT   _C15    53     1.52085   129.80044     3.30819
   79    78 S   HC   _H37    54     1.09788   107.43940   146.03360
   80    77 S   CT   _C20    64     1.51647   117.80901  -176.85484
   81    80 S   HC   _H41    65     1.09507   110.31547   121.99208
   82    80 S   HC   _H42    66     1.09519   112.82794     1.95475
   83    80 S   HC   _H43    67     1.09519   110.18404  -118.10815
   84    78 S   CT   _C12    55     1.53871   120.73930    23.73537
   85    84 S   HC   _H32    56     1.09962   107.08343   178.47646
   86    84 S   HC   _H33    57     1.08855   108.60731   -69.88741
   87    78 S   OH   _O24    62     1.43165   106.77010  -100.29546
   88    87 S   HO   _H53    63     0.97232   107.66913  -170.54339
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  19   2   1   1  18   7   6  15   7   6   2   1   1  14   6   5
   1  15   8   7   9   9   3   8   3   4   1   1  10   5   9   5
   4   2   1   1   6   3   3   2   1   1  10   3  11  10   6   5
   2   1   1   4   2   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    84    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    78    84    85    86    40    41    48    49    52    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    53    69    84    40    41    48    52    54    42    43    44    45  
   39    46    47    50    40    52    42  
   46    47    50    40    52    42  
   41    48    49    87    42    43    44    45    46    77    78    79    84    85    86  
   48    49    42    78    84    85    86  
   43    44    45    46    48    84  
   44    45  
   45  
    0  
   47    50    51    53    56    62    69    70    75    58    52    54    55    61  
   50    51    53    69    52    54  
   49    78    84    85    86  
   84  
   51    53    56    57    62    69    70    75    76    77    58    59    60    52    54  
   53    56    62    69    70    75    58    52  
   54    55    61    63    65    53    69  
   56    57    62    69    70    75    58    59    60  
   55    61    63    64    71    65    66    67    68  
   61    63    65  
   57    62    69    70    75    58    59    60  
   62    69    58  
   59    60    62    69  
   60  
    0  
   63    64    71    72    73    74    65    66    67    68  
   69    70    75    76    77  
   64    71    72    73    74    65    66    67    68  
   71    72    73    74    65  
   66    67    68    71  
   67    68  
   68  
    0  
   70    75    76    77    78    80  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    84    87    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    88    80    81    82    83  
   79    84    85    86    87    88    80    81    82    83  
   84    85    86    87    88    80  
   81    82    83    84    87  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87  
   87  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    69   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    80   317.000  1.510
   78    79   340.000  1.090
   78    84   268.000  1.529
   78    87   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   87    88   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   320.000  1.462
   61    63   549.000  1.340
   61    65   317.000  1.510
   63    64   340.000  1.080
   63    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    84    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    58.35000  112.70000
   37    46    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    70.00000  112.02700
   46    50    69    58.35000  112.70000
   46    52    54    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    69    62    50.00000  109.50000
   50    69    70    37.50000  110.70000
   50    69    75    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    62    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    62    69    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    69    70    35.00000  109.50000
   62    69    75    85.00000  110.90400
   69    50    51    37.50000  110.70000
   69    50    53    70.00000  112.02700
   69    75    76    35.00000  117.00000
   69    75    77    70.00000  124.00000
   75    69    70    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    80    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    84    70.00000  112.02700
   77    78    87    90.00000  110.39200
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    40    58.35000  112.70000
   78    87    88    55.00000  108.50000
   84    78    79    37.50000  110.70000
   84    40    41    37.50000  110.70000
   84    40    48    50.00000  109.50000
   86    84    85    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    84    85    37.50000  110.70000
   40    84    86    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   87    78    79    35.00000  109.50000
   87    78    84    50.00000  109.50000
   80    77    78    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    63    65.00000  118.96000
   54    61    65    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    63    64    35.00000  120.00000
   61    63    71    70.00000  124.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   71    63    64    35.00000  117.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    61    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    84   0.44750  1.0 1.0
   29    33    40    84  -0.17800 -1.0 2.0
   29    33    40    84   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.56750  1.0 1.0
   33    37    46    50  -0.07550 -1.0 2.0
   33    37    46    50   0.20000  1.0 3.0
   33    37    46    52   0.62750  1.0 1.0
   33    37    46    52  -0.30950 -1.0 2.0
   33    37    46    52   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    84   0.56750  1.0 1.0
   37    33    40    84  -0.07550 -1.0 2.0
   37    33    40    84   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.15000  1.0 3.0
   37    46    50    53   0.34400  1.0 1.0
   37    46    50    53   0.09450 -1.0 2.0
   37    46    50    53   0.11100  1.0 3.0
   37    46    50    69   0.56750  1.0 1.0
   37    46    50    69  -0.07550 -1.0 2.0
   37    46    50    69   0.20000  1.0 3.0
   37    46    52    54  -0.25900  1.0 1.0
   37    46    52    54  -0.47000 -1.0 2.0
   37    46    52    54   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    52   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    52   0.23400  1.0 3.0
   46    50    53    56   0.09700  1.0 1.0
   46    50    53    56   0.15600 -1.0 2.0
   46    50    53    56  -0.50800  1.0 3.0
   46    50    53    58   0.09850  1.0 1.0
   46    50    53    58   0.15250 -1.0 2.0
   46    50    53    58  -0.50650  1.0 3.0
   46    50    69    62   0.62750  1.0 1.0
   46    50    69    62  -0.30950 -1.0 2.0
   46    50    69    62   0.27300  1.0 3.0
   46    50    69    70   0.15000  1.0 3.0
   46    50    69    75   0.34400  1.0 1.0
   46    50    69    75   0.09450 -1.0 2.0
   46    50    69    75   0.11100  1.0 3.0
   46    52    54    55   3.00000 -1.0 2.0
   46    52    54    61   2.00000 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    69   0.15000  1.0 3.0
   47    46    52    54   0.08050  1.0 3.0
   50    46    52    54  -0.25900  1.0 1.0
   50    46    52    54  -0.47000 -1.0 2.0
   50    46    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    62  -0.15000  1.0 1.0
   50    53   -56    62   0.89550 -1.0 2.0
   50    53   -56    62  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    69    75    76   0.00000  1.0 1.0
   50    69    75    77   0.09850  1.0 1.0
   50    69    75    77   0.15250 -1.0 2.0
   50    69    75    77  -0.50650  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    69    62   0.23400  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   51    50    69    75   0.15000  1.0 3.0
   53    50   -69    62   0.61850  1.0 1.0
   53    50   -69    62  -0.22750 -1.0 2.0
   53    50   -69    62   0.15300  1.0 3.0
   53    50    69    70   0.15000  1.0 3.0
   53    50    69    75   0.31000  1.0 1.0
   53    50    69    75   0.14700 -1.0 2.0
   53    50    69    75   0.07550  1.0 3.0
   53    56   -62    69   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    62   -69    50  -0.25900  1.0 1.0
   56    62   -69    50  -0.47000 -1.0 2.0
   56    62   -69    50   0.11750  1.0 3.0
   56    62    69    70   0.08050  1.0 3.0
   56    62    69    75  -0.82050  1.0 1.0
   56    62    69    75   0.00600 -1.0 2.0
   56    62    69    75   0.04400  1.0 3.0
   57    56    62    69   3.00000 -1.0 2.0
   62    69    75    76   0.00000  1.0 1.0
   62    69    75    77   0.39000  1.0 1.0
   62    69    75    77  -0.05800 -1.0 2.0
   62    69    75    77  -0.55150  1.0 3.0
   69    50   -53    56   0.09700  1.0 1.0
   69    50   -53    56   0.15600 -1.0 2.0
   69    50   -53    56  -0.50800  1.0 3.0
   69    50    53    58   0.09850  1.0 1.0
   69    50    53    58   0.15250 -1.0 2.0
   69    50    53    58  -0.50650  1.0 3.0
   69    75    77    78   7.00000 -1.0 2.0
   69    75    77    80   7.00000 -1.0 2.0
   70    69    75    76   0.33100  1.0 3.0
   70    69    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    84   0.09850  1.0 1.0
   75    77    78    84   0.15250 -1.0 2.0
   75    77    78    84  -0.50650  1.0 3.0
   75    77    78    87   0.67800  1.0 1.0
   75    77    78    87   0.47050 -1.0 2.0
   75    77    78    87  -0.62500  1.0 3.0
   75    77    80    81   0.00000  1.0 1.0
   75    77    80    82   0.00000  1.0 1.0
   75    77    80    83   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    80   7.00000 -1.0 2.0
   77    78    84    85   0.15000  1.0 3.0
   77    78    84    86   0.15000  1.0 3.0
   77    78    84    40   0.34400  1.0 1.0
   77    78    84    40   0.09450 -1.0 2.0
   77    78    84    40   0.11100  1.0 3.0
   77    78    87    88  -0.07800  1.0 1.0
   77    78    87    88  -0.21500 -1.0 2.0
   77    78    87    88  -0.03150  1.0 3.0
   78    77    80    81   0.34800  1.0 3.0
   78    77    80    82   0.34800  1.0 3.0
   78    77    80    83   0.34800  1.0 3.0
   78    84    40    33   0.56750  1.0 1.0
   78    84    40    33  -0.07550 -1.0 2.0
   78    84    40    33   0.20000  1.0 3.0
   78    84    40    41   0.15000  1.0 3.0
   78    84    40    48   0.86500  1.0 1.0
   78    84    40    48  -0.17500 -1.0 2.0
   78    84    40    48   0.20800  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    40   0.15000  1.0 3.0
   79    78    87    88   0.19450  1.0 3.0
   84    78    87    88  -0.11600  1.0 1.0
   84    78    87    88  -0.09450 -1.0 2.0
   84    78    87    88   0.21250  1.0 3.0
   84    40    48    49  -0.11600  1.0 1.0
   84    40    48    49  -0.09450 -1.0 2.0
   84    40    48    49   0.21250  1.0 3.0
   85    84    40    33   0.15000  1.0 3.0
   85    84    40    41   0.15000  1.0 3.0
   85    84    40    48   0.23400  1.0 3.0
   86    84    40    33   0.15000  1.0 3.0
   86    84    40    41   0.15000  1.0 3.0
   86    84    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   87    78    84    85   0.23400  1.0 3.0
   87    78    84    86   0.23400  1.0 3.0
   87    78    84    40   0.86500  1.0 1.0
   87    78    84    40  -0.17500 -1.0 2.0
   87    78    84    40   0.20800  1.0 3.0
   80    77    78    79   0.34800  1.0 3.0
   80    77    78    84   0.46850  1.0 1.0
   80    77    78    84   0.08550 -1.0 2.0
   80    77    78    84   0.09800  1.0 3.0
   80    77    78    87   0.18000  1.0 1.0
   80    77    78    87   0.16450 -1.0 2.0
   80    77    78    87   0.04450  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    62  -0.56150  1.0 1.0
   58    53    56    62   2.19150 -1.0 2.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    53   0.61850  1.0 1.0
   52    46    50    53  -0.22750 -1.0 2.0
   52    46    50    53   0.15300  1.0 3.0
   52    46    50    69   0.62750  1.0 1.0
   52    46    50    69  -0.30950 -1.0 2.0
   52    46    50    69   0.27300  1.0 3.0
   52    54    61    63  -0.56150  1.0 1.0
   52    54    61    63   2.19150 -1.0 2.0
   52    54    61    65  -0.15000  1.0 1.0
   52    54    61    65   0.89550 -1.0 2.0
   52    54    61    65  -0.06900  1.0 3.0
   54    61    63    64   7.00000 -1.0 2.0
   54    61    63    71   7.00000 -1.0 2.0
   54    61    65    66   0.15000  1.0 3.0
   54    61    65    67   0.15000  1.0 3.0
   54    61    65    68   0.15000  1.0 3.0
   55    54    61    63   1.00000 -1.0 2.0
   55    54    61    65  -0.64400  1.0 1.0
   55    54    61    65   0.26850 -1.0 2.0
   61    63    71    72   0.00000  1.0 1.0
   61    63    71    73   0.00000  1.0 1.0
   61    63    71    74   0.00000  1.0 1.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    67   0.00000  1.0 1.0
   63    61    65    68   0.00000  1.0 1.0
   64    63    71    72   0.33100  1.0 3.0
   64    63    71    73   0.33100  1.0 3.0
   64    63    71    74   0.33100  1.0 3.0
   65    61    63    64   7.00000 -1.0 2.0
   65    61    63    71   7.00000 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    84   0.56750  1.0 1.0
   42    33    40    84  -0.07550 -1.0 2.0
   42    33    40    84   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  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
   50    56    53    58   1.10000 -1.0 2.0
   53    62    56    57  10.50000 -1.0 2.0
   69    76    75    77   1.10000 -1.0 2.0
   78    80    77    75   1.10000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   54    65    61    63  15.00000 -1.0 2.0
   71    64    63    61  15.00000 -1.0 2.0
END
