* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    243     474
    1     0 S   NP   _N1_     1    28.82958    95.91099   -21.25374
    2     1 S   H    _HN1     2     1.02959    82.14053    24.13207
    3     1 S   H    _H1_     3     1.02836    37.52193   155.87047
    4     1 S   H    _H2_     4     1.02779    90.32276   -84.32248
    5     1 S   CT   _CA1     5     1.50111   147.52355   140.13879
    6     5 S   HC   _HA1     6     1.09574   105.24327    69.34863
    7     5 S   CO3  _C1_     7     1.53789   112.38301   -50.89392
    8     7 S   O2Z  _O11     8     1.26360   115.01207   -44.31131
    9     7 S   O2Z  _O12     9     1.26236   114.91540   134.89866
   10     5 S   CT   _CB1    10     1.53094   107.43522  -172.72975
   11    10 S   HC   HB11    11     1.09825   109.35637   -50.79797
   12    10 S   HC   HB12    12     1.09820   110.40483    65.75242
   13    10 S   CT   _CG1    13     1.53010   112.67021  -171.89799
   14    13 S   HC   HG11    14     1.09599   110.44894   -63.37530
   15    13 S   HC   HG12    15     1.09651   109.99398    55.85558
   16    13 S   C    _CD1    16     1.51811   112.30426   176.23158
   17    16 S   O    _OE1    17     1.22720   123.26617    -2.13258
   18    16 S   N    _N2_    18     1.38630   111.62670   177.98171
   19    18 S   H    _HN2    19     1.01590   119.04253     1.22013
   20    18 S   CT1  _CA2    20     1.46173   123.34429  -179.66780
   21    20 S   HC   _HA2    21     1.09709   109.42410    -8.10850
   22    20 S   C    _C2_    22     1.53511   108.97545  -124.09343
   23    22 S   O    _O2_    23     1.23060   121.99087  -151.03038
   24    20 S   CT   _CB2    32     1.53325   111.28517   113.99825
   25    24 S   HC   HB21    33     1.09507   109.51614    56.49184
   26    24 S   HC   HB22    34     1.09525   110.43267   174.99798
   27    22 S   N    _N3_    24     1.38397   113.79450    36.25038
   28    27 S   H    _HN3    25     1.01508   118.96719    -0.02798
   29    24 S   S    _SG2    35     1.82905   112.24169   -65.27448
   30    27 S   CT   _CA3    26     1.45435   123.34240   175.74596
   31    30 S   HC   HA31    27     1.09537   109.16474    26.12468
   32    30 S   HC   HA32    28     1.09495   107.14737   143.07970
   33    29 S   CT   _C23    36     1.83856    99.15202   169.74936
   34    33 S   HC   _H3_    37     1.09544   106.87732    38.33064
   35    30 S   CO3  _C3_    29     1.52899   113.09926   -97.33365
   36    35 S   O2Z  _O31    30     1.26402   115.36836   -45.63480
   37    35 S   O2Z  _O32    31     1.26351   114.99512   135.29164
   38    33 S   CT   _C20    38     1.52971   107.95761   153.11125
   39    38 S   HC   _H46    39     1.09540   112.53590    59.52414
   40    38 S   HC   _H47    40     1.09636   110.89772   -61.19583
   41    38 S   HC   _H48    41     1.09479   110.82207  -179.72024
   42    33 S   CT   _C22    42     1.54410   110.59650   -81.14566
   43    42 S   HC   _H51    43     1.09895   110.17598    40.22563
   44    42 S   CO4  _C11    44     1.52328   108.81345   155.75823
   45    44 S   O    _O22    45     1.22319   124.81928    77.85452
   46    42 S   CT   _C21    84     1.53165   115.22005   -80.90456
   47    46 S   HC   _H49    85     1.09429   111.06522    50.54061
   48    46 S   HC   _H50    86     1.09474   112.22243   -71.67762
   49    44 S   OS   _O26    46     1.36421   109.19269  -101.82926
   50    46 S   OH   _O25    87     1.42517   108.97391   168.83161
   51    50 S   HO   _H54    88     0.97270   107.05212  -178.20430
   52    49 S   CT   _C17    47     1.44256   118.59698  -175.58190
   53    52 S   HC   _H39    48     1.09765   108.77179    21.98468
   54    52 S   CT   _C13    49     1.55600   110.99802   -91.72770
   55    54 S   HC   _H34    50     1.09812   107.65979   177.43067
   56    54 S   HC   _H35    51     1.09871   108.05582    64.12598
   57    52 S   CT   _C16    65     1.55418   108.81653   137.59167
   58    57 S   HC   _H38    66     1.09956   108.16339   170.75197
   59    54 S   CM   _C6_    52     1.51691   118.27126   -57.28880
   60    57 S   CM   _C8_    67     1.50514   115.07922   -71.02803
   61    59 S   CM   _C4_    53     1.35062   120.25105  -108.96679
   62    61 S   HC   _H28    54     1.08963   118.44232    -3.24673
   63    60 S   CO4  _C9_    68     1.47886   108.79131   151.95301
   64    63 S   O    _O21    69     1.21750   127.15658   167.49765
   65    60 S   CM   _C10    71     1.33695   131.13474   -26.45240
   66    65 S   HC   _H30    72     1.08373   121.95270    -1.20464
   67    65 S   HC   _H31    73     1.08579   121.54142   178.94612
   68    59 S   CT   _C18    80     1.50396   115.64829    70.20861
   69    68 S   HC   _H40    81     1.09210   110.93720   -74.73413
   70    68 S   HC   _H41    82     1.09220   113.25525   163.72955
   71    68 S   HC   _H42    83     1.09510   109.97068    45.35946
   72    61 S   CT   _C12    55     1.51646   126.53889   164.77007
   73    72 S   HC   _H32    56     1.09345   111.41540    25.78695
   74    72 S   HC   _H33    57     1.09654   108.08512   142.57697
   75    87 S   OS   _O23    70     1.43825   107.40540   114.39901
   76    72 S   CT   _C15    58     1.55644   111.50429   -96.18031
   77    76 S   HC   _H37    59     1.09624   109.60839   166.25661
   78    76 S   CM   _C7_    60     1.52794   111.01903    44.81972
   79    76 S   OH   _O24    78     1.42875   109.44080   -77.77595
   80    79 S   HO   _H53    79     0.97221   107.46193   -60.35534
   81    78 S   CM   _C5_    61     1.35015   119.63197   -83.79915
   82    81 S   HC   _H29    62     1.09002   117.72826   -11.02386
   83    78 S   CT   _C19    74     1.50301   114.86868    88.46951
   84    83 S   HC   _H43    75     1.09312   110.70114   -56.78423
   85    83 S   HC   _H44    76     1.09245   113.32521  -178.40959
   86    83 S   HC   _H45    77     1.09539   109.68540    62.33444
   87    81 S   CT   _C14    63     1.49823   127.97550   157.95645
   88    87 S   HC   _H36    64     1.09466   112.13686    -3.35480
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   5   3   2
  10   1   1  16   8  14   5   4  14   7  10   9  12   5   8   3
   4   1   1   4   2   1   1   9   5   4   5  11   5  10   3   1
   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    52    46    47    48    50    51  
   44    45    49    46    47    48    50  
   45    49    52    53    54    57    46    47    48    50  
   49    52    46  
   47    48    50    51    49  
   48    50    51  
   50    51  
   52    53    54    55    56    59    87    57    58    60  
   51  
    0  
   53    54    55    56    59    61    81    87    88    57    58    60    63    75    65    68  
   54    55    56    59    87    57    58    60  
   55    56    59    61    62    72    87    57    58    60    68    69    70    71  
   56    59    61    57    68  
   59    61    57    68  
   58    60    63    64    75    65    66    67    59    78    81    82    87    88  
   60    63    75    65    81    87    88  
   61    62    72    73    74    76    68    69    70    71  
   63    64    75    65    66    67    81    87    88  
   62    72    73    74    76    77    78    79    68    69    70    71  
   72    73    74    76    68  
   64    75    65    66    67    81    87    88  
   75    65    87  
   66    67    75    87  
   67  
    0  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    76    77    78    81    83    79    80  
   74    76    77    78    79  
   76    77    78    79  
   78    81    82    87    88  
   77    78    81    82    87    83    84    85    86    79    80  
   78    81    83    79    80  
   81    82    87    88    83    84    85    86    79    80  
   80    81    83  
    0  
   82    87    88    83    84    85    86  
   87    88    83  
   84    85    86    87  
   85    86  
   86  
    0  
   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   0.107500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   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
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    61   549.000  1.340
   59    68   317.000  1.510
   61    62   340.000  1.080
   61    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.510
   76    79   320.000  1.410
   78    81   549.000  1.340
   78    83   317.000  1.510
   81    82   340.000  1.080
   81    87   317.000  1.510
   87    88   340.000  1.090
   87    57   268.000  1.529
   87    75   320.000  1.410
   57    58   340.000  1.090
   57    60   317.000  1.510
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    75   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    51   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    52    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    52    53    35.00000  109.50000
   49    52    54    50.00000  109.50000
   49    52    57    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    70.00000  112.02700
   52    57    87    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    60    70.00000  112.02700
   54    52    53    37.50000  110.70000
   54    59    61    70.00000  124.00000
   54    59    68    65.00000  117.92700
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    72    70.00000  124.00000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   61    72    73    35.00000  109.50000
   61    72    74    35.00000  109.50000
   61    72    76    70.00000  112.02700
   72    61    62    35.00000  117.00000
   72    76    77    37.50000  110.70000
   72    76    78    70.00000  112.02700
   72    76    79    50.00000  109.50000
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    78    81    70.00000  124.00000
   76    78    83    65.00000  117.92700
   76    79    80    55.00000  108.50000
   78    76    77    35.00000  109.50000
   78    81    82    35.00000  120.00000
   78    81    87    70.00000  124.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    57    70.00000  112.02700
   81    87    75    85.00000  110.90400
   87    81    82    35.00000  117.00000
   87    57    58    37.50000  110.70000
   87    57    60    70.00000  112.02700
   87    75    63    83.00000  116.90000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   57    87    88    37.50000  110.70000
   57    60    63    65.00000  116.34900
   57    60    65    70.00000  124.00000
   60    57    58    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    75    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   75    87    88    35.00000  109.50000
   75    87    57    50.00000  109.50000
   75    63    64    83.00000  123.40000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   83    78    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    90.00000  110.39200
   68    59    61    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    51    55.00000  108.50000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.86500  1.0 1.0
   33    42    46    50  -0.17500 -1.0 2.0
   33    42    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    52   1.63150  1.0 1.0
   42    44    49    52   2.92000 -1.0 2.0
   42    46    50    51  -0.11600  1.0 1.0
   42    46    50    51  -0.09450 -1.0 2.0
   42    46    50    51   0.21250  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54  -0.25900  1.0 1.0
   44    49    52    54  -0.47000 -1.0 2.0
   44    49    52    54   0.11750  1.0 3.0
   44    49    52    57  -0.25900  1.0 1.0
   44    49    52    57  -0.47000 -1.0 2.0
   44    49    52    57   0.11750  1.0 3.0
   45    44    49    52   3.00000 -1.0 2.0
   49    52    54    55   0.23400  1.0 3.0
   49    52    54    56   0.23400  1.0 3.0
   49    52    54    59   0.61850  1.0 1.0
   49    52    54    59  -0.22750 -1.0 2.0
   49    52    54    59   0.15300  1.0 3.0
   49    52    57    87   0.62750  1.0 1.0
   49    52    57    87  -0.30950 -1.0 2.0
   49    52    57    87   0.27300  1.0 3.0
   49    52    57    58   0.23400  1.0 3.0
   49    52    57    60   0.61850  1.0 1.0
   49    52    57    60  -0.22750 -1.0 2.0
   49    52    57    60   0.15300  1.0 3.0
   52    54    59    61   0.09850  1.0 1.0
   52    54    59    61   0.15250 -1.0 2.0
   52    54    59    61  -0.50650  1.0 3.0
   52    54    59    68   0.46850  1.0 1.0
   52    54    59    68   0.08550 -1.0 2.0
   52    54    59    68   0.09800  1.0 3.0
   52    57    60    63   0.09700  1.0 1.0
   52    57    60    63   0.15600 -1.0 2.0
   52    57    60    63  -0.50800  1.0 3.0
   52    57    60    65   0.09850  1.0 1.0
   52    57    60    65   0.15250 -1.0 2.0
   52    57    60    65  -0.50650  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    57    87   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   54    52    57    87   0.56750  1.0 1.0
   54    52    57    87  -0.07550 -1.0 2.0
   54    52    57    87   0.20000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    60   0.34400  1.0 1.0
   54    52    57    60   0.09450 -1.0 2.0
   54    52    57    60   0.11100  1.0 3.0
   54    59    61    62   7.00000 -1.0 2.0
   54    59    61    72   7.00000 -1.0 2.0
   54    59    68    69   0.34800  1.0 3.0
   54    59    68    70   0.34800  1.0 3.0
   54    59    68    71   0.34800  1.0 3.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    68   0.34800  1.0 3.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    68   0.34800  1.0 3.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   59    61    72    76   0.09850  1.0 1.0
   59    61    72    76   0.15250 -1.0 2.0
   59    61    72    76  -0.50650  1.0 3.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    70   0.00000  1.0 1.0
   61    59    68    71   0.00000  1.0 1.0
   61    72    76    77   0.15000  1.0 3.0
   61    72    76    78   0.31000  1.0 1.0
   61    72    76    78   0.14700 -1.0 2.0
   61    72    76    78   0.07550  1.0 3.0
   61    72    76    79   1.05650  1.0 1.0
   61    72    76    79   0.15600 -1.0 2.0
   61    72    76    79   0.53150  1.0 3.0
   62    61    72    73   0.33100  1.0 3.0
   62    61    72    74   0.33100  1.0 3.0
   62    61    72    76   0.00000  1.0 1.0
   72    76    78    81   0.09850  1.0 1.0
   72    76    78    81   0.15250 -1.0 2.0
   72    76    78    81  -0.50650  1.0 3.0
   72    76    78    83   0.46850  1.0 1.0
   72    76    78    83   0.08550 -1.0 2.0
   72    76    78    83   0.09800  1.0 3.0
   72    76    79    80  -0.11600  1.0 1.0
   72    76    79    80  -0.09450 -1.0 2.0
   72    76    79    80   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.23400  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.23400  1.0 3.0
   76    78    81    82   7.00000 -1.0 2.0
   76    78    81    87   7.00000 -1.0 2.0
   76    78    83    84   0.34800  1.0 3.0
   76    78    83    85   0.34800  1.0 3.0
   76    78    83    86   0.34800  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   77    76    78    83   0.34800  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80  -0.07800  1.0 1.0
   78    76    79    80  -0.21500 -1.0 2.0
   78    76    79    80  -0.03150  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    57   0.09850  1.0 1.0
   78    81    87    57   0.15250 -1.0 2.0
   78    81    87    57  -0.50650  1.0 3.0
   78    81    87    75   0.39000  1.0 1.0
   78    81    87    75  -0.05800 -1.0 2.0
   78    81    87    75  -0.55150  1.0 3.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.00000  1.0 1.0
   81    87    57    52   0.34400  1.0 1.0
   81    87    57    52   0.09450 -1.0 2.0
   81    87    57    52   0.11100  1.0 3.0
   81    87    57    58   0.15000  1.0 3.0
   81    87    57    60   0.31000  1.0 1.0
   81    87    57    60   0.14700 -1.0 2.0
   81    87    57    60   0.07550  1.0 3.0
   81    87    75    63  -0.82050  1.0 1.0
   81    87    75    63   0.00600 -1.0 2.0
   81    87    75    63   0.04400  1.0 3.0
   82    81    87    88   0.33100  1.0 3.0
   82    81    87    57   0.00000  1.0 1.0
   82    81    87    75   0.00000  1.0 1.0
   87    57   -60    63   0.09700  1.0 1.0
   87    57   -60    63   0.15600 -1.0 2.0
   87    57   -60    63  -0.50800  1.0 3.0
   87    57    60    65   0.09850  1.0 1.0
   87    57    60    65   0.15250 -1.0 2.0
   87    57    60    65  -0.50650  1.0 3.0
   88    87    57    52   0.15000  1.0 3.0
   88    87    57    58   0.15000  1.0 3.0
   88    87    57    60   0.15000  1.0 3.0
   88    87    75    63   0.08050  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    59   0.34400  1.0 1.0
   57    52    54    59   0.09450 -1.0 2.0
   57    52    54    59   0.11100  1.0 3.0
   57    87   -75    63  -0.25900  1.0 1.0
   57    87   -75    63  -0.47000 -1.0 2.0
   57    87   -75    63   0.11750  1.0 3.0
   57    60    63    64  -0.64400  1.0 1.0
   57    60    63    64   0.26850 -1.0 2.0
   57    60   -63    75  -0.15000  1.0 1.0
   57    60   -63    75   0.89550 -1.0 2.0
   57    60   -63    75  -0.06900  1.0 3.0
   57    60    65    66   7.00000 -1.0 2.0
   57    60    65    67   7.00000 -1.0 2.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    60    65   0.00000  1.0 1.0
   60    63   -75    87   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   64    63    75    87   3.00000 -1.0 2.0
   75    87    57    52   0.62750  1.0 1.0
   75    87    57    52  -0.30950 -1.0 2.0
   75    87    57    52   0.27300  1.0 3.0
   75    87    57    58   0.23400  1.0 3.0
   75    87   -57    60   0.61850  1.0 1.0
   75    87   -57    60  -0.22750 -1.0 2.0
   75    87   -57    60   0.15300  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    75  -0.56150  1.0 1.0
   65    60    63    75   2.19150 -1.0 2.0
   83    78    81    82   7.00000 -1.0 2.0
   83    78    81    87   7.00000 -1.0 2.0
   79    76    78    81   0.67800  1.0 1.0
   79    76    78    81   0.47050 -1.0 2.0
   79    76    78    81  -0.62500  1.0 3.0
   79    76    78    83   0.18000  1.0 1.0
   79    76    78    83   0.16450 -1.0 2.0
   79    76    78    83   0.04450  1.0 3.0
   68    59    61    62   7.00000 -1.0 2.0
   68    59    61    72   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51   0.19450  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
   37    30    35    36  10.50000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
   54    68    59    61   1.10000 -1.0 2.0
   72    62    61    59   1.10000 -1.0 2.0
   76    83    78    81   1.10000 -1.0 2.0
   87    82    81    78   1.10000 -1.0 2.0
   57    63    60    65   1.10000 -1.0 2.0
   60    75    63    64  10.50000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
END
