* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    160    244     471
    1     0 S   NP   _N1_     1    28.65716    94.53377   -21.08629
    2     1 S   H    _HN1     2     1.02836    31.65497   155.47197
    3     1 S   H    _H1_     3     1.02777    91.06670   -80.73973
    4     1 S   H    _H2_     4     1.02955    87.97857    27.61106
    5     1 S   CT   _CA1     5     1.50143   142.24652   149.16030
    6     5 S   HC   _HA1     6     1.09582   105.14174    62.57485
    7     5 S   CO3  _C1_     7     1.53695   112.57532   -57.38551
    8     7 S   O2Z  _O11     8     1.26348   114.99095   -38.54907
    9     7 S   O2Z  _O12     9     1.26234   114.97113   140.57862
   10     5 S   CT   _CB1    10     1.53106   107.41371  -179.58741
   11    10 S   HC   HB11    11     1.09811   109.01905   -50.74016
   12    10 S   HC   HB12    12     1.09815   110.53707    65.76994
   13    10 S   CT   _CG1    13     1.52999   112.73642  -171.94694
   14    13 S   HC   HG11    14     1.09595   110.36379   -68.10249
   15    13 S   HC   HG12    15     1.09594   109.79508    51.00273
   16    13 S   C    _CD1    16     1.51865   112.49467   170.79468
   17    16 S   O    _OE1    17     1.22721   123.24630    -6.85638
   18    16 S   N    _N2_    18     1.38621   111.72137   173.97735
   19    18 S   H    _HN2    19     1.01549   118.94648    -1.53200
   20    18 S   CT1  _CA2    20     1.46285   123.53491   179.76510
   21    20 S   HC   _HA2    21     1.09696   109.38127    -7.44284
   22    20 S   C    _C2_    22     1.53404   108.25064  -123.57310
   23    22 S   O    _O2_    23     1.23025   122.16667  -146.50933
   24    20 S   CT   _CB2    32     1.53449   111.58938   114.64519
   25    24 S   HC   HB21    33     1.09326   109.32701    64.31236
   26    24 S   HC   HB22    34     1.09529   110.49379  -177.97300
   27    22 S   N    _N3_    24     1.38451   113.56767    40.28370
   28    27 S   H    _HN3    25     1.01519   118.90713     0.47271
   29    24 S   S    _SG2    35     1.82485   111.44190   -58.04169
   30    27 S   CT   _CA3    26     1.45415   123.45756   176.41297
   31    30 S   HC   HA31    27     1.09524   109.22773    24.60664
   32    30 S   HC   HA32    28     1.09496   107.11447   141.54227
   33    29 S   CT   _C11    36     1.83032   100.34885   146.80300
   34    33 S   HC   _H3_    37     1.09441   105.00945    67.40696
   35    30 S   CO3  _C3_    29     1.52876   113.06556   -98.95749
   36    35 S   O2Z  _O31    30     1.26398   115.33549   -45.84801
   37    35 S   O2Z  _O32    31     1.26338   114.98963   135.06842
   38    33 S   CM   _C6_    38     1.52167   110.53508  -173.74825
   39    33 S   OS   _O19    51     1.43077   115.60956   -46.71537
   40    38 S   CT   _C10    39     1.52298   115.31419    87.03782
   41    40 S   HC   _H33    40     1.10173   108.44625   146.14151
   42    38 S   CMA  _C7_    80     1.36876   122.38790   -95.34083
   43    42 S   OM   _O18    81     1.26977   125.27094     1.41361
   44    40 S   CT   _C8_    41     1.53859   114.23257   -94.92118
   45    44 S   HC   _H30    42     1.09295   113.95424    32.46399
   46    44 S   HC   _H31    43     1.09500   110.71295   -89.97533
   47    42 S   OS   _O26    82     1.42058   111.50147   179.22747
   48    44 S   CM   _C4_    44     1.49111   102.70577   151.45829
   49    48 S   HC   _H29    45     1.08100   123.12506   166.92740
   50    47 S   CT   _C18    83     1.42680   114.68523   148.01599
   51    50 S   HC   _H41    84     1.09405   107.74963  -172.05184
   52    50 S   HC   _H42    85     1.09480   111.02828    70.04863
   53    50 S   HC   _H43    86     1.09531   111.10818   -53.91975
   54    48 S   CM   _C5_    46     1.33920   112.25159   -14.21041
   55    40 S   CT   _C9_    47     1.54698   115.99141    28.67128
   56    55 S   HC   _H32    48     1.09844   108.27896    93.69483
   57    54 S   CT   _C19    75     1.48951   125.76942  -179.09691
   58    57 S   HC   _H44    76     1.09414   110.65500   114.89267
   59    57 S   HC   _H45    77     1.09455   111.36247    -5.71388
   60    55 S   CO   _C16    49     1.53207   114.80261   -29.06380
   61    60 S   HC   _H39    50     1.09534   111.34366   -79.67188
   62    57 S   OH   _O24    78     1.42060   109.40596  -125.10091
   63    62 S   HO   _H51    79     0.97213   106.78782  -178.56919
   64    60 S   OS1  _O27    52     1.43560   106.76130   162.37704
   65    64 S   CO1  _C17    53     1.43231   114.04561   172.22868
   66    65 S   HC   _H40    54     1.09676   109.59223    40.36047
   67    65 S   CT   _C14    55     1.53442   106.45194   158.93063
   68    67 S   HC   _H37    56     1.09690   110.07234    52.82476
   69    67 S   CT   _C12    57     1.52765   111.23807   174.93871
   70    69 S   HC   _H35    58     1.09659   110.44646    71.97267
   71    67 S   OH5  _O23    73     1.43002   109.98496   -63.94779
   72    71 S   HO   _H50    74     0.97230   108.22637   -57.40267
   73    69 S   CT   _C13    59     1.52862   110.75749   -50.77199
   74    73 S   HC   _H36    60     1.09649   108.64655   -70.92163
   75    69 S   OH5  _O21    71     1.42945   109.68720  -171.90488
   76    75 S   HO   _H48    72     0.97249   108.12529    60.49112
   77    73 S   CT   _C15    61     1.53487   110.78088    50.81081
   78    77 S   HC   _H38    62     1.09796   110.11821    65.03041
   79    73 S   OH5  _O22    69     1.42689   109.64307   172.52055
   80    79 S   HO   _H49    70     0.97251   108.23147   -58.24181
   81    65 S   OS1  _O20    63     1.43035   110.76886   -80.80400
   82    77 S   CT   _C20    64     1.53285   111.80537  -175.81044
   83    82 S   HC   _H46    65     1.09444   110.99098   -63.04610
   84    82 S   HC   _H47    66     1.09215   110.57105   176.20729
   85    82 S   OH5  _O25    67     1.42278   110.55666    57.32158
   86    85 S   HO   _H52    68     0.97232   107.15906   177.98452
  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   7   5   4   3
  13   5   2   1   1  15   9  16   9   8   2   9   5   4   4   9
   3   3   2   1   1  10   9   4   5   3   2   6   2   1   1   8
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    60    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    55    60    61    39    64    42    43    47  
   38    40    60    39    42  
   36    37  
   37  
    0  
   40    41    44    45    46    48    54    55    56    60    39    42    43    47    50  
   64    65    42    40    54    55    56    60    61  
   41    44    45    46    48    49    54    55    56    60    61    64    57    42    43    47  
   44    45    46    48    54    55    56    60    42  
   43    47    50    51    52    53    44    55  
   47    50  
   45    46    48    49    54    55    56    60    57  
   46    48    49    54    55  
   48    49    54    55  
   50    51    52    53  
   49    54    55    56    60    57    58    59    62  
   54    55    57  
   51    52    53  
   52    53  
   53  
    0  
   55    56    60    61    64    57    58    59    62    63  
   56    60    61    64    65    57    58    59    62  
   60    61    64    57  
   58    59    62    63    60  
   59    62    63  
   62    63  
   61    64    65    66    67    81  
   64    65  
   63  
    0  
   65    66    67    68    69    77    81    71  
   66    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    55   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    54   549.000  1.340
   54    55   317.000  1.510
   54    57   317.000  1.510
   55    56   340.000  1.090
   55    60   250.000  1.527
   60    61   340.000  1.090
   60    39   320.000  1.380
   60    64   320.000  1.380
   64    65   370.000  1.399
   65    66   360.000  1.097
   65    67   255.000  1.525
   65    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    60    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  112.02700
   38    40    55    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    80.00000  120.01400
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    70.00000  112.02700
   40    55    54    70.00000  112.02700
   40    55    56    37.50000  110.70000
   40    55    60    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    48    49    35.00000  117.00000
   44    48    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    54    55    70.00000  124.00000
   48    54    57    70.00000  124.00000
   54    48    49    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    60    70.00000  112.02700
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    90.00000  110.39200
   55    40    41    37.50000  110.70000
   55    40    44    58.35000  112.70000
   55    60    61    45.00000  112.01100
   55    60    39    90.00000  108.56700
   55    60    64    90.00000  108.56700
   60    55    56    45.00000  108.72000
   60    64    65    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    60    61    35.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    39    92.60000  111.55000
   64    65    66    60.00000  105.75400
   64    65    67    90.00000  109.70700
   64    65    81   110.00000  113.16000
   65    67    68    45.00000  109.54000
   65    67    69    70.00000  111.10000
   65    67    71    90.00000  109.42000
   65    81    77    90.00000  112.10700
   67    65    66    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    65    66    60.00000  105.75400
   81    65    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   57    54    55    65.00000  117.92700
   57    62    63    55.00000  108.50000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   42    38    40    70.00000  124.00000
   42    47    50    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  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    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    60   0.14700  1.0 1.0
   29    33    39    60  -1.16150 -1.0 2.0
   29    33    39    60   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.46850  1.0 1.0
   33    38    40    44   0.08550 -1.0 2.0
   33    38    40    44   0.09800  1.0 3.0
   33    38    40    55   0.46850  1.0 1.0
   33    38    40    55   0.08550 -1.0 2.0
   33    38    40    55   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    60   0.37050  1.0 3.0
   38    33    39    60  -0.77900  1.0 1.0
   38    33    39    60  -0.36900 -1.0 2.0
   38    33    39    60   0.40400  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    48   0.31000  1.0 1.0
   38    40    44    48   0.14700 -1.0 2.0
   38    40    44    48   0.07550  1.0 3.0
   38    40    55    54   0.31000  1.0 1.0
   38    40    55    54   0.14700 -1.0 2.0
   38    40    55    54   0.07550  1.0 3.0
   38    40    55    56   0.15000  1.0 3.0
   38    40   -55    60   0.34400  1.0 1.0
   38    40   -55    60   0.09450 -1.0 2.0
   38    40   -55    60   0.11100  1.0 3.0
   38    42    47    50  -2.26850  1.0 1.0
   38    42    47    50   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    47   7.00000 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44   -48    54   0.09850  1.0 1.0
   40    44   -48    54   0.15250 -1.0 2.0
   40    44   -48    54  -0.50650  1.0 3.0
   40    55    60    61   0.15000  1.0 3.0
   40    55    60    39   0.62750  1.0 1.0
   40    55    60    39  -0.30950 -1.0 2.0
   40    55    60    39   0.27300  1.0 3.0
   40    55    60    64   0.62750  1.0 1.0
   40    55    60    64  -0.30950 -1.0 2.0
   40    55    60    64   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    55    54   0.15000  1.0 3.0
   41    40    55    56   0.15000  1.0 3.0
   41    40    55    60   0.15000  1.0 3.0
   44    40   -55    54   0.34400  1.0 1.0
   44    40   -55    54   0.09450 -1.0 2.0
   44    40   -55    54   0.11100  1.0 3.0
   44    40    55    56   0.15000  1.0 3.0
   44    40    55    60   3.97050  1.0 1.0
   44    48   -54    55   7.00000 -1.0 2.0
   44    48    54    57   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    54   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    54   0.00000  1.0 1.0
   48    54   -55    40   0.09850  1.0 1.0
   48    54   -55    40   0.15250 -1.0 2.0
   48    54   -55    40  -0.50650  1.0 3.0
   48    54    55    56   0.00000  1.0 1.0
   48    54    55    60   0.09850  1.0 1.0
   48    54    55    60   0.15250 -1.0 2.0
   48    54    55    60  -0.50650  1.0 3.0
   48    54    57    58   0.00000  1.0 1.0
   48    54    57    59   0.00000  1.0 1.0
   48    54    57    62   0.67800  1.0 1.0
   48    54    57    62   0.47050 -1.0 2.0
   48    54    57    62  -0.62500  1.0 3.0
   49    48    54    55   7.00000 -1.0 2.0
   49    48    54    57   7.00000 -1.0 2.0
   54    55    60    61   0.15000  1.0 3.0
   54    55    60    39   0.61850  1.0 1.0
   54    55    60    39  -0.22750 -1.0 2.0
   54    55    60    39   0.15300  1.0 3.0
   54    55    60    64   0.61850  1.0 1.0
   54    55    60    64  -0.22750 -1.0 2.0
   54    55    60    64   0.15300  1.0 3.0
   54    57    62    63  -0.07800  1.0 1.0
   54    57    62    63  -0.21500 -1.0 2.0
   54    57    62    63  -0.03150  1.0 3.0
   55    40    44    45   0.15000  1.0 3.0
   55    40    44    46   0.15000  1.0 3.0
   55    40   -44    48   0.34400  1.0 1.0
   55    40   -44    48   0.09450 -1.0 2.0
   55    40   -44    48   0.11100  1.0 3.0
   55    54    57    58   0.34800  1.0 3.0
   55    54    57    59   0.34800  1.0 3.0
   55    54    57    62   0.18000  1.0 1.0
   55    54    57    62   0.16450 -1.0 2.0
   55    54    57    62   0.04450  1.0 3.0
   55    60   -39    33   0.06250  1.0 1.0
   55    60   -39    33  -0.01100 -1.0 2.0
   55    60   -39    33   0.28050  1.0 3.0
   55    60    64    65   0.06250  1.0 1.0
   55    60    64    65  -0.01100 -1.0 2.0
   55    60    64    65   0.28050  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    39   0.23400  1.0 3.0
   56    55    60    64   0.23400  1.0 3.0
   60    64    65    66   0.37050  1.0 3.0
   60    64    65    67   0.06250  1.0 1.0
   60    64    65    67  -0.01100 -1.0 2.0
   60    64    65    67   0.28050  1.0 3.0
   60    64    65    81  -0.12700  1.0 1.0
   60    64    65    81  -1.16200 -1.0 2.0
   60    64    65    81   0.58800  1.0 3.0
   61    60    39    33   0.37050  1.0 3.0
   61    60    64    65   0.37050  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    60    64    65  -0.53350  1.0 1.0
   39    60    64    65  -0.78350 -1.0 2.0
   39    60    64    65   0.33750  1.0 3.0
   64    60    39    33  -0.81800  1.0 1.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69   0.62750  1.0 1.0
   64    65    67    69  -0.30950 -1.0 2.0
   64    65    67    69   0.27300  1.0 3.0
   64    65    67    71   1.51850  1.0 1.0
   64    65    81    77  -0.70400  1.0 1.0
   64    65    81    77  -0.90350 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    73   0.56750  1.0 1.0
   65    67    69    73  -0.07550 -1.0 2.0
   65    67    69    73   0.20000  1.0 3.0
   65    67    69    75  -0.47750  1.0 1.0
   65    67    71    72   0.29150  1.0 1.0
   65    67    71    72  -0.28350 -1.0 2.0
   65    67    71    72   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    81    77   0.37050  1.0 3.0
   67    65    81    77   0.06250  1.0 1.0
   67    65    81    77  -0.01100 -1.0 2.0
   67    65    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    65   0.06250  1.0 1.0
   73    77   -81    65  -0.01100 -1.0 2.0
   73    77   -81    65   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    65   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    65    67    68   0.23400  1.0 3.0
   81    65   -67    69   0.62750  1.0 1.0
   81    65   -67    69  -0.30950 -1.0 2.0
   81    65   -67    69   0.27300  1.0 3.0
   81    65    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    65   0.06250  1.0 1.0
   82    77    81    65  -0.01100 -1.0 2.0
   82    77    81    65   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   57    54    55    40   0.46850  1.0 1.0
   57    54    55    40   0.08550 -1.0 2.0
   57    54    55    40   0.09800  1.0 3.0
   57    54    55    56   0.34800  1.0 3.0
   57    54    55    60   0.46850  1.0 1.0
   57    54    55    60   0.08550 -1.0 2.0
   57    54    55    60   0.09800  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   59    57    62    63   0.19450  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.09850  1.0 1.0
   42    38    40    44   0.15250 -1.0 2.0
   42    38    40    44  -0.50650  1.0 3.0
   42    38    40    55   0.09850  1.0 1.0
   42    38    40    55   0.15250 -1.0 2.0
   42    38    40    55  -0.50650  1.0 3.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52   0.08050  1.0 3.0
   42    47    50    53   0.08050  1.0 3.0
   43    42    47    50   2.00000 -1.0 2.0
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
   33    40    38    42   1.10000 -1.0 2.0
   44    49    48    54   1.10000 -1.0 2.0
   55    57    54    48   1.10000 -1.0 2.0
   43    47    42    38   1.10000 -1.0 2.0
END
