* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    162    249     468
    1     0 S   NP   _N1_     1    28.61074    96.30136   -23.02384
    2     1 S   H    _HN1     2     1.02829    39.38830   167.18636
    3     1 S   H    _H1_     3     1.02785   101.80860   -88.91855
    4     1 S   H    _H2_     4     1.02950    72.48092    16.85746
    5     1 S   CT   _CA1     5     1.50129   141.92789   117.76544
    6     5 S   HC   _HA1     6     1.09574   105.16524    90.21971
    7     5 S   CO3  _C1_     7     1.53783   112.53704   -29.93421
    8     7 S   O2Z  _O11     8     1.26370   114.99269   -40.17446
    9     7 S   O2Z  _O12     9     1.26246   114.95867   138.91754
   10     5 S   CT   _CB1    10     1.53082   107.41495  -151.80290
   11    10 S   HC   HB11    11     1.09832   109.30895   -49.64672
   12    10 S   HC   HB12    12     1.09812   110.45714    66.95366
   13    10 S   CT   _CG1    13     1.52985   112.64023  -170.64291
   14    13 S   HC   HG11    14     1.09586   110.63396   -66.97371
   15    13 S   HC   HG12    15     1.09675   109.77186    52.25271
   16    13 S   C    _CD1    16     1.51806   112.26309   172.66709
   17    16 S   O    _OE1    17     1.22721   123.31330     7.49604
   18    16 S   N    _N2_    18     1.38625   111.60780  -172.49355
   19    18 S   H    _HN2    19     1.01573   118.89892     1.68841
   20    18 S   CT1  _CA2    20     1.46210   123.51356   177.35558
   21    20 S   HC   _HA2    21     1.09735   109.45405     3.41650
   22    20 S   C    _C2_    22     1.53607   108.56673  -112.06495
   23    22 S   O    _O2_    23     1.23063   122.29831  -148.07961
   24    20 S   CT   _CB2    32     1.53477   111.36527   125.64508
   25    24 S   HC   HB21    33     1.09265   109.24104    56.08017
   26    24 S   HC   HB22    34     1.09313   109.51766   173.93667
   27    22 S   N    _N3_    24     1.38328   113.73193    39.37687
   28    27 S   H    _HN3    25     1.01576   119.59006    -3.25780
   29    24 S   S    _SG2    35     1.83212   110.86204   -66.99036
   30    27 S   CT   _CA3    26     1.45285   123.22731   177.17610
   31    30 S   HC   HA31    27     1.09548   107.49814   -64.91413
   32    30 S   HC   HA32    28     1.09556   108.00304    51.53202
   33    29 S   CT   _C19    36     1.90394   102.87561   151.45182
   34    30 S   CO3  _C3_    29     1.52963   114.06770   173.53046
   35    34 S   O2Z  _O31    30     1.26380   116.06455    -0.90331
   36    34 S   O2Z  _O32    31     1.26429   114.41180   179.16047
   37    33 S   CM   _C10    37     1.52337   103.28721  -156.34493
   38    37 S   HC   _H32    38     1.08717   118.22291    95.57931
   39    33 S   OS   _O26    82     1.44461   110.13340   -34.74656
   40    37 S   CMA  _C11    39     1.35312   124.63701   -83.23170
   41    40 S   OM   _O22    40     1.26066   128.36939   179.89532
   42    39 S   CT   _C22    83     1.42072   118.62118   -70.52958
   43    42 S   HC   _H45    84     1.09385   107.77925   162.31360
   44    42 S   HC   _H46    85     1.09267   112.69424    43.03997
   45    42 S   HC   _H47    86     1.09339   110.25324   -80.77090
   46    40 S   CT   _C16    41     1.55250   117.00367     1.21241
   47    46 S   HC   _H39    42     1.10011   107.33868    71.18379
   48    46 S   CT   _C18    43     1.54679   108.47578   -45.67905
   49    48 S   HC   _H41    44     1.09630   107.52033   -77.31857
   50    46 S   CT   _C24    74     1.56740   116.32670  -171.63602
   51    50 S   HC   _H51    75     1.09801   109.57198    67.27356
   52    50 S   HC   _H52    76     1.09779   109.71287   -49.62128
   53    33 S   CT   _C20    45     1.58897   115.96080    85.76361
   54    50 S   CM   _C13    77     1.50488   114.63237  -167.85332
   55    54 S   HC   _H35    78     1.08693   117.12832    56.64480
   56    53 S   CT   _C17    46     1.55313   115.03682   -37.98439
   57    56 S   HC   _H40    47     1.09140   110.03750    40.95168
   58    53 S   OS   _O27    69     1.46058   111.81018  -156.21523
   59    54 S   CM   _C12    79     1.33805   124.08695  -124.01021
   60    59 S   HC   _H33    80     1.08447   120.46821  -179.86012
   61    59 S   HC   _H34    81     1.08435   121.49819     0.52302
   62    56 S   CT   _C15    48     1.52746   102.40358   153.88801
   63    62 S   HC   _H38    49     1.09803   111.73401    73.61736
   64    56 S   CT   _C21    65     1.52677   116.03816   -82.84517
   65    64 S   HC   _H42    66     1.09499   111.97346   -67.06392
   66    64 S   HC   _H43    67     1.09511   110.53276   173.34884
   67    64 S   HC   _H44    68     1.09329   111.30294    53.96676
   68    58 S   CT   _C23    70     1.42010   118.68507   -57.76330
   69    68 S   HC   _H48    71     1.09409   107.49698  -170.64541
   70    68 S   HC   _H49    72     1.09157   111.47216    72.22017
   71    68 S   HC   _H50    73     1.09159   112.72107   -52.21610
   72    62 S   CA   _C7_    50     1.51050   114.46270  -160.39709
   73    48 S   OS   _O25    64     1.44029   111.44176   169.36201
   74    72 S   CA   _C4_    51     1.41416   119.48131  -106.23244
   75    74 S   HA   _H29    52     1.08797   119.97641    -0.54429
   76    74 S   CA   _C5_    53     1.39811   121.19357   179.31672
   77    76 S   HA   _H30    54     1.08405   120.86907   179.95154
   78    76 S   CA   _C8_    55     1.37796   117.72397    -0.14127
   79    78 S   CA   _C9_    56     1.37446   121.70234    -0.05595
   80    72 S   CA   _C6_    57     1.40571   121.22865    72.72503
   81    80 S   HA   _H31    58     1.08535   121.24305     0.66086
   82    79 S   OS   _O24    59     1.36095   112.35110  -179.88131
   83    82 S   CO   _C14    60     1.44216   100.96262    -0.03426
   84    83 S   HC   _H36    61     1.09609   108.67161  -120.89162
   85    83 S   HC   _H37    62     1.09609   108.66963   120.95739
   86    78 S   OS   _O23    63     1.36064   125.91732  -179.93439
  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  10   5   4   3
  20   2   1   1  12   5   9  11   4   4   2   1   1  14   8  15
   6   9   4   3  15   4   3  13   9   7   2   1   1  13   5   5
   2   1   1   3   2   1   1  10   2   8   4   7   3   8   7   4
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    53    56    58    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    53    56    57    62    73    64    58    68    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    53    56    58    50    39    42  
   40    41    46    53    39  
   42    43    44    45    40    48    53    56    58  
   41    46    47    48    49    53    73    50    51    52    54  
   46    47    48    50  
   43    44    45    53  
   44    45  
   45  
    0  
   47    48    49    53    56    62    73    58    50    51    52    54    55    59  
   48    49    53    73    50    51    52    54  
   49    53    56    57    62    63    72    73    64    58    68    50    51    52    54  
   53    56    62    73    58    50  
   51    52    54    55    59    60    61    53    73  
   52    54    55    59  
   54    55    59  
   56    57    62    63    72    73    64    65    66    67    58    68    69    70    71  
   55    59    60    61  
   59    60    61  
   57    62    63    72    74    80    73    64    65    66    67    58    68  
   62    63    72    73    64    65    66    67    58  
   68    69    70    71    62    64    73  
   60    61  
   61  
    0  
   63    72    74    75    76    79    80    81    73    64    65    66    67  
   72    74    80    73    64  
   65    66    67    72    73  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   74    75    76    77    78    79    80    81    82    73  
   74    80  
   75    76    77    78    79    80    81    86  
   76    77    78    80  
   77    78    79    80    82    83    86  
   78    79    86  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82  
   83    84    85    86  
   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  -0.316400   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   0.417900   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    53   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   268.000  1.529
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    73   320.000  1.410
   53    56   268.000  1.529
   53    58   320.000  1.410
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   268.000  1.529
   62    63   340.000  1.090
   62    72   317.000  1.510
   62    73   320.000  1.410
   72    74   469.000  1.400
   72    80   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    86   450.000  1.364
   79    80   469.000  1.400
   79    82   450.000  1.364
   80    81   367.000  1.080
   82    83   320.000  1.380
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   320.000  1.380
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   58    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   317.000  1.510
   54    55   340.000  1.080
   54    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   39    42   320.000  1.410
   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  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    53    48    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    53    58    50.00000  109.50000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    46    47    45.00000  110.52000
   40    46    48    70.00000  112.02700
   40    46    50    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    48    49    37.50000  110.70000
   46    48    53    58.35000  112.70000
   46    48    73    50.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    53    56    58.35000  112.70000
   48    53    58    50.00000  109.50000
   48    73    62    60.00000  109.50000
   53    33    37    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    62    58.35000  112.70000
   53    56    64    58.35000  112.70000
   53    58    68    60.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    72    70.00000  112.17500
   56    62    73    50.00000  109.50000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   62    56    57    37.50000  110.70000
   62    72    74    70.00000  120.00000
   62    72    80    70.00000  120.00000
   72    62    63    35.00000  109.50000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   72    80    79    63.00000  120.00000
   72    80    81    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    86    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    63.00000  120.00000
   78    79    82    70.00000  120.00000
   78    86    83   100.00000  112.36700
   79    80    81    35.00000  120.00000
   79    82    83   100.00000  112.36700
   80    72    74    63.00000  120.00000
   82    79    80    70.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    92.60000  111.55000
   85    83    84    33.00000  109.50000
   86    78    79    70.00000  120.00000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   73    48    49    35.00000  109.50000
   73    48    53    50.00000  109.50000
   73    62    63    35.00000  109.50000
   73    62    72    85.00000  111.85700
   64    56    57    37.50000  110.70000
   64    56    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   58    53    56    50.00000  109.50000
   58    68    69    35.00000  109.50000
   58    68    70    35.00000  109.50000
   58    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    58.35000  112.70000
   50    54    55    35.00000  117.00000
   50    54    59    70.00000  124.00000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    59    60    35.00000  120.00000
   54    59    61    35.00000  120.00000
   59    54    55    35.00000  120.00000
   61    59    60    35.00000  117.00000
   39    33    37    85.00000  110.90400
   39    33    53    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   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  -0.62250  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    56   0.44750  1.0 1.0
   29    33    53    56  -0.17800 -1.0 2.0
   29    33    53    56   0.20200  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    53    56    57   0.15000  1.0 3.0
   33    53    56    62   0.56750  1.0 1.0
   33    53    56    62  -0.07550 -1.0 2.0
   33    53    56    62   0.20000  1.0 3.0
   33    53    56    64   0.56750  1.0 1.0
   33    53    56    64  -0.07550 -1.0 2.0
   33    53    56    64   0.20000  1.0 3.0
   33    53    58    68   0.06250  1.0 1.0
   33    53    58    68  -0.01100 -1.0 2.0
   33    53    58    68   0.28050  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    53    48   0.34400  1.0 1.0
   37    33    53    48   0.09450 -1.0 2.0
   37    33    53    48   0.11100  1.0 3.0
   37    33    53    56   0.34400  1.0 1.0
   37    33    53    56   0.09450 -1.0 2.0
   37    33    53    56   0.11100  1.0 3.0
   37    33    53    58   0.61850  1.0 1.0
   37    33    53    58  -0.22750 -1.0 2.0
   37    33    53    58   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40    46    47   0.00000  1.0 1.0
   37    40   -46    48   0.09850  1.0 1.0
   37    40   -46    48   0.15250 -1.0 2.0
   37    40   -46    48  -0.50650  1.0 3.0
   37    40    46    50   0.09850  1.0 1.0
   37    40    46    50   0.15250 -1.0 2.0
   37    40    46    50  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    53   0.34400  1.0 1.0
   40    46    48    53   0.09450 -1.0 2.0
   40    46    48    53   0.11100  1.0 3.0
   40    46    48    73   0.61850  1.0 1.0
   40    46    48    73  -0.22750 -1.0 2.0
   40    46    48    73   0.15300  1.0 3.0
   40    46    50    51   0.15000  1.0 3.0
   40    46    50    52   0.15000  1.0 3.0
   40    46    50    54   0.31000  1.0 1.0
   40    46    50    54   0.14700 -1.0 2.0
   40    46    50    54   0.07550  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.09700  1.0 1.0
   41    40    46    48   0.15600 -1.0 2.0
   41    40    46    48  -0.50800  1.0 3.0
   41    40    46    50   0.09700  1.0 1.0
   41    40    46    50   0.15600 -1.0 2.0
   41    40    46    50  -0.50800  1.0 3.0
   46    48   -53    33   0.56750  1.0 1.0
   46    48   -53    33  -0.07550 -1.0 2.0
   46    48   -53    33   0.20000  1.0 3.0
   46    48    53    56   0.56750  1.0 1.0
   46    48    53    56  -0.07550 -1.0 2.0
   46    48    53    56   0.20000  1.0 3.0
   46    48    53    58   0.62750  1.0 1.0
   46    48    53    58  -0.30950 -1.0 2.0
   46    48    53    58   0.27300  1.0 3.0
   46    48    73    62   0.06250  1.0 1.0
   46    48    73    62  -0.01100 -1.0 2.0
   46    48    73    62   0.28050  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    59   0.09850  1.0 1.0
   46    50    54    59   0.15250 -1.0 2.0
   46    50    54    59  -0.50650  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    53   0.15000  1.0 3.0
   47    46    48    73   0.23400  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    54   0.34400  1.0 1.0
   48    46    50    54   0.09450 -1.0 2.0
   48    46    50    54   0.11100  1.0 3.0
   48    53    56    57   0.15000  1.0 3.0
   48    53   -56    62   0.56750  1.0 1.0
   48    53   -56    62  -0.07550 -1.0 2.0
   48    53   -56    62   0.20000  1.0 3.0
   48    53    56    64   0.56750  1.0 1.0
   48    53    56    64  -0.07550 -1.0 2.0
   48    53    56    64   0.20000  1.0 3.0
   48    53    58    68   0.06250  1.0 1.0
   48    53    58    68  -0.01100 -1.0 2.0
   48    53    58    68   0.28050  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   49    48    53    58   0.23400  1.0 3.0
   49    48    73    62   0.37050  1.0 3.0
   53    33    37    38   0.00000  1.0 1.0
   53    33   -37    40   0.09850  1.0 1.0
   53    33   -37    40   0.15250 -1.0 2.0
   53    33   -37    40  -0.50650  1.0 3.0
   53    33    39    42   0.06250  1.0 1.0
   53    33    39    42  -0.01100 -1.0 2.0
   53    33    39    42   0.28050  1.0 3.0
   53    48   -73    62   0.06250  1.0 1.0
   53    48   -73    62  -0.01100 -1.0 2.0
   53    48   -73    62   0.28050  1.0 3.0
   53    56    62    63   0.15000  1.0 3.0
   53    56    62    72  -0.03700  1.0 1.0
   53    56    62    72   0.37200 -1.0 2.0
   53    56    62    72  -0.47300  1.0 3.0
   53    56   -62    73   0.62750  1.0 1.0
   53    56   -62    73  -0.30950 -1.0 2.0
   53    56   -62    73   0.27300  1.0 3.0
   53    56    64    65   0.15000  1.0 3.0
   53    56    64    66   0.15000  1.0 3.0
   53    56    64    67   0.15000  1.0 3.0
   53    58    68    69   0.37050  1.0 3.0
   53    58    68    70   0.37050  1.0 3.0
   53    58    68    71   0.37050  1.0 3.0
   56    53    58    68   0.06250  1.0 1.0
   56    53    58    68  -0.01100 -1.0 2.0
   56    53    58    68   0.28050  1.0 3.0
   56    62    72    74   0.04150 -1.0 2.0
   56    62    72    80   0.04150 -1.0 2.0
   56    62   -73    48   0.06250  1.0 1.0
   56    62   -73    48  -0.01100 -1.0 2.0
   56    62   -73    48   0.28050  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    72   0.43200  1.0 3.0
   57    56    62    73   0.23400  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    67   0.15000  1.0 3.0
   62    56    64    65   0.15000  1.0 3.0
   62    56    64    66   0.15000  1.0 3.0
   62    56    64    67   0.15000  1.0 3.0
   62    72    74    75   3.62500 -1.0 2.0
   62    72    74    76   3.62500 -1.0 2.0
   62    72    80    79   3.62500 -1.0 2.0
   62    72    80    81   3.62500 -1.0 2.0
   63    62    72    74   0.00000  1.0 1.0
   63    62    72    80   0.00000  1.0 1.0
   63    62    73    48   0.37050  1.0 3.0
   72    62    73    48   0.37500  1.0 3.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   74    72    80    79   3.62500 -1.0 2.0
   74    72    80    81   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   74    76    78    86   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    82   3.62500 -1.0 2.0
   76    78    86    83   1.63200 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    86   3.62500 -1.0 2.0
   78    79   -80    72   3.62500 -1.0 2.0
   78    79    80    81   3.62500 -1.0 2.0
   78    79   -82    83   1.63200 -1.0 2.0
   79    78   -86    83   1.63200 -1.0 2.0
   79    82    83    84   0.08050  1.0 3.0
   79    82    83    85   0.08050  1.0 3.0
   79    82   -83    86  -0.25600  1.0 1.0
   79    82   -83    86  -0.40050 -1.0 2.0
   79    82   -83    86   0.34700  1.0 3.0
   80    72    74    75   3.62500 -1.0 2.0
   80    72   -74    76   3.62500 -1.0 2.0
   80    79    82    83   1.63200 -1.0 2.0
   82    79    80    72   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    83   -86    78  -0.25600  1.0 1.0
   82    83   -86    78  -0.40050 -1.0 2.0
   82    83   -86    78   0.34700  1.0 3.0
   84    83    86    78   0.08050  1.0 3.0
   85    83    86    78   0.08050  1.0 3.0
   86    78    79    80   3.62500 -1.0 2.0
   86    78   -79    82   3.62500 -1.0 2.0
   73    48    53    33   0.62750  1.0 1.0
   73    48    53    33  -0.30950 -1.0 2.0
   73    48    53    33   0.27300  1.0 3.0
   73    48   -53    56   0.62750  1.0 1.0
   73    48   -53    56  -0.30950 -1.0 2.0
   73    48   -53    56   0.27300  1.0 3.0
   73    48    53    58   1.11900  1.0 1.0
   73    48    53    58  -1.16350 -1.0 2.0
   73    48    53    58  -0.34150  1.0 3.0
   73    62    72    74   0.64500  1.0 1.0
   73    62    72    74   0.14800 -1.0 2.0
   73    62    72    74   0.20650  1.0 3.0
   73    62    72    80   0.64500  1.0 1.0
   73    62    72    80   0.14800 -1.0 2.0
   73    62    72    80   0.20650  1.0 3.0
   64    56    62    63   0.15000  1.0 3.0
   64    56    62    72  -0.03700  1.0 1.0
   64    56    62    72   0.37200 -1.0 2.0
   64    56    62    72  -0.47300  1.0 3.0
   64    56    62    73   0.62750  1.0 1.0
   64    56    62    73  -0.30950 -1.0 2.0
   64    56    62    73   0.27300  1.0 3.0
   58    53    56    57   0.23400  1.0 3.0
   58    53    56    62   0.62750  1.0 1.0
   58    53    56    62  -0.30950 -1.0 2.0
   58    53    56    62   0.27300  1.0 3.0
   58    53    56    64   0.62750  1.0 1.0
   58    53    56    64  -0.30950 -1.0 2.0
   58    53    56    64   0.27300  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53   0.56750  1.0 1.0
   50    46    48    53  -0.07550 -1.0 2.0
   50    46    48    53   0.20000  1.0 3.0
   50    46    48    73   0.62750  1.0 1.0
   50    46    48    73  -0.30950 -1.0 2.0
   50    46    48    73   0.27300  1.0 3.0
   50    54    59    60   7.00000 -1.0 2.0
   50    54    59    61   7.00000 -1.0 2.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    59   0.00000  1.0 1.0
   52    50    54    55   0.33100  1.0 3.0
   52    50    54    59   0.00000  1.0 1.0
   55    54    59    60   7.00000 -1.0 2.0
   55    54    59    61   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    53    48   0.62750  1.0 1.0
   39    33    53    48  -0.30950 -1.0 2.0
   39    33    53    48   0.27300  1.0 3.0
   39    33    53    56   0.62750  1.0 1.0
   39    33    53    56  -0.30950 -1.0 2.0
   39    33    53    56   0.27300  1.0 3.0
   39    33    53    58   1.11900  1.0 1.0
   39    33    53    58  -1.16350 -1.0 2.0
   39    33    53    58  -0.34150  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
   46    41    40    37   1.10000 -1.0 2.0
   74    80    72    62   4.00000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    86    78    76   4.00000 -1.0 2.0
   80    82    79    78   4.00000 -1.0 2.0
   79    81    80    72   1.10000 -1.0 2.0
   50    55    54    59  15.00000 -1.0 2.0
   60    61    59    54  15.00000 -1.0 2.0
END
