* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    253     476
    1     0 S   NP   _N1_     1    28.72823    94.75346   -20.59105
    2     1 S   H    _HN1     2     1.02964    91.50088    34.13617
    3     1 S   H    _H1_     3     1.02837    33.02747   153.94233
    4     1 S   H    _H2_     4     1.02776    86.18738   -74.14736
    5     1 S   CT   _CA1     5     1.50121   143.54271   162.57006
    6     5 S   HC   _HA1     6     1.09572   105.25830    54.11731
    7     5 S   CO3  _C1_     7     1.53814   112.35315   -66.15475
    8     7 S   O2Z  _O11     8     1.26357   114.98303   -43.39605
    9     7 S   O2Z  _O12     9     1.26241   114.91996   135.75599
   10     5 S   CT   _CB1    10     1.53083   107.42720   172.09436
   11    10 S   HC   HB11    11     1.09820   109.42058   -50.17990
   12    10 S   HC   HB12    12     1.09832   110.36521    66.39908
   13    10 S   CT   _CG1    13     1.53002   112.66859  -171.30878
   14    13 S   HC   HG11    14     1.09592   110.32217   -61.50768
   15    13 S   HC   HG12    15     1.09630   110.15013    57.72409
   16    13 S   C    _CD1    16     1.51793   112.19829   178.03338
   17    16 S   O    _OE1    17     1.22728   123.21567    -8.80917
   18    16 S   N    _N2_    18     1.38606   111.65349   171.45505
   19    18 S   H    _HN2    19     1.01586   119.02815     1.71589
   20    18 S   CT1  _CA2    20     1.46301   123.41240  -176.70461
   21    20 S   HC   _HA2    21     1.09730   109.36461   -14.49288
   22    20 S   C    _C2_    22     1.53364   108.37824  -130.31995
   23    22 S   O    _O2_    23     1.23006   122.29451  -145.87529
   24    20 S   CT   _CB2    32     1.53476   111.12893   107.50088
   25    24 S   HC   HB21    33     1.09578   109.46586    55.53695
   26    24 S   HC   HB22    34     1.09492   110.80482   174.34033
   27    22 S   N    _N3_    24     1.38528   113.32177    41.52576
   28    27 S   H    _HN3    25     1.01531   118.89642    -0.59970
   29    24 S   S    _SG2    35     1.82791   111.41922   -65.84841
   30    27 S   CT   _CA3    26     1.45447   123.42371   175.06902
   31    30 S   HC   HA31    27     1.09526   109.20354    25.05980
   32    30 S   HC   HA32    28     1.09496   107.13152   142.05957
   33    29 S   CT   _C12    36     1.83451    99.63367   152.96815
   34    33 S   HC   _H3_    37     1.09465   110.96747   -38.61931
   35    30 S   CO3  _C3_    29     1.52929   113.13272   -98.39177
   36    35 S   O2Z  _O31    30     1.26403   115.41235   -44.31414
   37    35 S   O2Z  _O32    31     1.26357   114.97664   136.61987
   38    33 S   CM   _C4_    38     1.49537   108.11160    83.68871
   39    38 S   HC   _H28    39     1.08360   123.49736   -44.03250
   40    38 S   CMA  _C5_    40     1.34332   113.54109   136.80561
   41    40 S   OM   _O21    41     1.25826   132.83785   179.13227
   42    40 S   CT   _C19    42     1.56020   109.60876     3.63852
   43    33 S   CT   _C14    43     1.55024   112.99390  -164.74979
   44    43 S   HC   _H34    44     1.10117   105.56589   -32.93822
   45    42 S   CT   _C17    60     1.56733   113.92013  -141.56787
   46    45 S   HC   _H37    61     1.09826   107.27939   -51.82975
   47    42 S   CT   _C23    82     1.54949   105.22420    94.82276
   48    47 S   HC   _H48    83     1.08665   113.38274  -165.51964
   49    47 S   HC   _H49    84     1.09651   111.02903    73.42401
   50    47 S   HC   _H50    85     1.09711   112.07365   -46.01269
   51    43 S   CT   _C15    45     1.55562   117.78867    84.45570
   52    51 S   HC   _H35    46     1.09432   110.16420    74.97393
   53    45 S   OS   _O26    62     1.45921   108.06775    63.43246
   54    51 S   CT   _C18    47     1.55620   110.05362  -164.45988
   55    54 S   HC   _H38    48     1.09664   109.57852    47.55252
   56    53 S   CO4  _C11    63     1.35942   118.37125  -143.74397
   57    56 S   O    _O23    64     1.21904   127.02131    -3.01272
   58    51 S   CT   _C22    78     1.54129   112.72975   -41.08422
   59    58 S   HC   _H45    79     1.09459   111.47261   -63.08273
   60    58 S   HC   _H46    80     1.09551   111.38233   176.58121
   61    58 S   HC   _H47    81     1.09372   111.45046    59.38639
   62    54 S   CT   _C16    49     1.53217   116.80322   -77.77971
   63    62 S   HC   _H36    50     1.10163   106.29715  -166.50881
   64    56 S   CM   _C9_    65     1.48188   106.92066   176.75484
   65    64 S   HC   _H31    66     1.08788   114.98538   -22.58959
   66    54 S   OH   _O25    76     1.43854   108.51194   162.67682
   67    66 S   HO   _H51    77     0.97219   107.93321  -168.94107
   68    62 S   CT   _C13    51     1.52311   120.70696    71.49354
   69    68 S   HC   _H33    52     1.09984   105.63702    98.38713
   70    64 S   CM   _C10    67     1.34541   125.46293   158.55643
   71    68 S   CM   _C6_    53     1.49484   100.21904  -150.10116
   72    70 S   CT   _C20    68     1.50696   119.80143   177.41987
   73    72 S   HC   _H39    69     1.09498   110.31993   118.39447
   74    72 S   HC   _H40    70     1.09521   112.44412    -1.77123
   75    72 S   HC   _H41    71     1.09505   110.16689  -121.76815
   76    70 S   CT   _C21    72     1.50325   126.11674    -3.29895
   77    76 S   HC   _H42    73     1.09454   110.15147   105.49379
   78    76 S   HC   _H43    74     1.09175   113.51355   -16.51430
   79    76 S   HC   _H44    75     1.09581   110.11810  -135.28031
   80    71 S   CO4  _C7_    54     1.47453   109.92918    16.04954
   81    80 S   O    _O22    55     1.21730   127.16917   174.53438
   82    71 S   CM   _C8_    57     1.33616   128.18736  -162.26570
   83    82 S   HC   _H29    58     1.08529   120.73200    -0.89744
   84    82 S   HC   _H30    59     1.08498   121.81508   179.18363
   85    62 S   OS   _O24    56     1.44260   110.63293   -54.30278
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  19   7   6   2
   1   1  13   8   9  14   7   7   3   5   2   1   1  10   6  10
   3   3   1   8   4   8   6   7   3   2   1   3   2   1   1   5
   2   3   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    68    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    68    69    71    45    46    53    56    58    47    48    49    50  
   44    51    52    54    55    62    68    45    46    53    66    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    56    57    64    47    48    49    50    51    54    62    63    68    69    71    80    82    85  
   53    56    47    62    68    69    71  
   48    49    50    51    53    68  
   49    50  
   50  
    0  
   52    54    55    62    63    68    85    66    67    58    59    60    61  
   54    55    62    66    58    59    60    61  
   56    57    64    65    70    62    68    69    71  
   55    62    63    68    69    71    80    85    66    67    58    59    60    61  
   62    63    68    85    66    67    58  
   57    64    65    70    72    76    68  
   64    65    70  
   59    60    61    62    66  
   60    61  
   61  
    0  
   63    68    69    71    80    81    85    82    66    67  
   68    69    71    80    85    66  
   65    70    72    73    74    75    76    77    78    79  
   70    72    76  
   67    68    85  
    0  
   69    71    80    81    85    82    83    84  
   71    80    85    82  
   72    73    74    75    76    77    78    79  
   80    81    85    82    83    84  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    85    82    83    84  
   85    82  
   83    84    85  
   84  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   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    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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    58   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    66   320.000  1.410
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    85   320.000  1.410
   68    69   340.000  1.090
   68    71   317.000  1.510
   68    45   268.000  1.529
   71    80   320.000  1.462
   71    82   549.000  1.340
   80    81   570.000  1.229
   80    85   214.000  1.327
   82    83   340.000  1.080
   82    84   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    56   214.000  1.327
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    70   549.000  1.340
   70    72   317.000  1.510
   70    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   66    67   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    68    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    62    58.35000  112.70000
   51    54    66    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    62    85    50.00000  109.50000
   54    66    67    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    71    70.00000  112.02700
   62    68    45    58.35000  112.70000
   62    85    80    83.00000  116.90000
   68    62    63    37.50000  110.70000
   68    71    80    65.00000  116.34900
   68    71    82    70.00000  124.00000
   68    45    46    37.50000  110.70000
   68    45    53    50.00000  109.50000
   71    68    69    35.00000  109.50000
   71    80    81    80.00000  123.72100
   71    80    85    90.00000  111.29400
   71    82    83    35.00000  120.00000
   71    82    84    35.00000  120.00000
   85    62    63    35.00000  109.50000
   85    62    68    50.00000  109.50000
   85    80    81    83.00000  123.40000
   82    71    80    65.00000  118.96000
   84    82    83    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    68    69    37.50000  110.70000
   45    68    71    70.00000  112.02700
   45    53    56    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    56    57    83.00000  123.40000
   53    56    64    90.00000  111.29400
   56    64    65    40.00000  117.72500
   56    64    70    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    70    72    70.00000  124.00000
   64    70    76    70.00000  124.00000
   70    64    65    35.00000  120.00000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   66    54    55    35.00000  109.50000
   66    54    62    50.00000  109.50000
   58    51    52    37.50000  110.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    68   0.34400  1.0 1.0
   40    42    45    68   0.09450 -1.0 2.0
   40    42    45    68   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    56  -0.25900  1.0 1.0
   42    45    53    56  -0.47000 -1.0 2.0
   42    45    53    56   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    68   0.56750  1.0 1.0
   43    42    45    68  -0.07550 -1.0 2.0
   43    42    45    68   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    62   0.56750  1.0 1.0
   43    51    54    62  -0.07550 -1.0 2.0
   43    51    54    62   0.20000  1.0 3.0
   43    51    54    66   0.86500  1.0 1.0
   43    51    54    66  -0.17500 -1.0 2.0
   43    51    54    66   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.15000  1.0 3.0
   51    54    62    68   0.56750  1.0 1.0
   51    54    62    68  -0.07550 -1.0 2.0
   51    54    62    68   0.20000  1.0 3.0
   51    54    62    85   0.62750  1.0 1.0
   51    54    62    85  -0.30950 -1.0 2.0
   51    54    62    85   0.27300  1.0 3.0
   51    54    66    67  -0.11600  1.0 1.0
   51    54    66    67  -0.09450 -1.0 2.0
   51    54    66    67   0.21250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    62   0.15000  1.0 3.0
   52    51    54    66   0.23400  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   54    62    68    69   0.15000  1.0 3.0
   54    62    68    71   0.34400  1.0 1.0
   54    62    68    71   0.09450 -1.0 2.0
   54    62    68    71   0.11100  1.0 3.0
   54    62    68    45   0.56750  1.0 1.0
   54    62    68    45  -0.07550 -1.0 2.0
   54    62    68    45   0.20000  1.0 3.0
   54    62    85    80  -0.25900  1.0 1.0
   54    62    85    80  -0.47000 -1.0 2.0
   54    62    85    80   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    62    85   0.23400  1.0 3.0
   55    54    66    67   0.19450  1.0 3.0
   62    54    66    67  -0.11600  1.0 1.0
   62    54    66    67  -0.09450 -1.0 2.0
   62    54    66    67   0.21250  1.0 3.0
   62    68   -71    80   0.09700  1.0 1.0
   62    68   -71    80   0.15600 -1.0 2.0
   62    68   -71    80  -0.50800  1.0 3.0
   62    68    71    82   0.09850  1.0 1.0
   62    68    71    82   0.15250 -1.0 2.0
   62    68    71    82  -0.50650  1.0 3.0
   62    68    45    42   0.56750  1.0 1.0
   62    68    45    42  -0.07550 -1.0 2.0
   62    68    45    42   0.20000  1.0 3.0
   62    68    45    46   0.15000  1.0 3.0
   62    68    45    53   0.62750  1.0 1.0
   62    68    45    53  -0.30950 -1.0 2.0
   62    68    45    53   0.27300  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   63    62    68    45   0.15000  1.0 3.0
   63    62    85    80   0.08050  1.0 3.0
   68    62   -85    80  -0.25900  1.0 1.0
   68    62   -85    80  -0.47000 -1.0 2.0
   68    62   -85    80   0.11750  1.0 3.0
   68    71    80    81  -0.64400  1.0 1.0
   68    71    80    81   0.26850 -1.0 2.0
   68    71   -80    85  -0.15000  1.0 1.0
   68    71   -80    85   0.89550 -1.0 2.0
   68    71   -80    85  -0.06900  1.0 3.0
   68    71    82    83   7.00000 -1.0 2.0
   68    71    82    84   7.00000 -1.0 2.0
   68    45    53    56  -0.25900  1.0 1.0
   68    45    53    56  -0.47000 -1.0 2.0
   68    45    53    56   0.11750  1.0 3.0
   69    68    71    80   0.15000  1.0 3.0
   69    68    71    82   0.00000  1.0 1.0
   69    68    45    42   0.15000  1.0 3.0
   69    68    45    46   0.15000  1.0 3.0
   69    68    45    53   0.23400  1.0 3.0
   71    68    45    42   0.34400  1.0 1.0
   71    68    45    42   0.09450 -1.0 2.0
   71    68    45    42   0.11100  1.0 3.0
   71    68    45    46   0.15000  1.0 3.0
   71    68    45    53   0.61850  1.0 1.0
   71    68    45    53  -0.22750 -1.0 2.0
   71    68    45    53   0.15300  1.0 3.0
   71    80   -85    62   2.00000 -1.0 2.0
   80    71    82    83   7.00000 -1.0 2.0
   80    71    82    84   7.00000 -1.0 2.0
   81    80    85    62   3.00000 -1.0 2.0
   85    62    68    69   0.23400  1.0 3.0
   85    62   -68    71   0.61850  1.0 1.0
   85    62   -68    71  -0.22750 -1.0 2.0
   85    62   -68    71   0.15300  1.0 3.0
   85    62    68    45   0.62750  1.0 1.0
   85    62    68    45  -0.30950 -1.0 2.0
   85    62    68    45   0.27300  1.0 3.0
   82    71    80    81   1.00000 -1.0 2.0
   82    71    80    85  -0.56150  1.0 1.0
   82    71    80    85   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    68    71    80   0.09700  1.0 1.0
   45    68    71    80   0.15600 -1.0 2.0
   45    68    71    80  -0.50800  1.0 3.0
   45    68    71    82   0.09850  1.0 1.0
   45    68    71    82   0.15250 -1.0 2.0
   45    68    71    82  -0.50650  1.0 3.0
   45    53    56    57   3.00000 -1.0 2.0
   45    53    56    64   2.00000 -1.0 2.0
   46    45    53    56   0.08050  1.0 3.0
   53    56    64    65   1.63100 -1.0 2.0
   53    56    64    70  -0.56150  1.0 1.0
   53    56    64    70   2.19150 -1.0 2.0
   56    64    70    72   7.00000 -1.0 2.0
   56    64    70    76   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    70   1.00000 -1.0 2.0
   64    70    72    73   0.00000  1.0 1.0
   64    70    72    74   0.00000  1.0 1.0
   64    70    72    75   0.00000  1.0 1.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   65    64    70    72   7.00000 -1.0 2.0
   65    64    70    76   7.00000 -1.0 2.0
   72    70    76    77   0.34800  1.0 3.0
   72    70    76    78   0.34800  1.0 3.0
   72    70    76    79   0.34800  1.0 3.0
   76    70    72    73   0.34800  1.0 3.0
   76    70    72    74   0.34800  1.0 3.0
   76    70    72    75   0.34800  1.0 3.0
   66    54    62    63   0.23400  1.0 3.0
   66    54    62    68   0.86500  1.0 1.0
   66    54    62    68  -0.17500 -1.0 2.0
   66    54    62    68   0.20800  1.0 3.0
   66    54    62    85   3.69350  1.0 1.0
   66    54    62    85  -1.82950 -1.0 2.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    62   0.56750  1.0 1.0
   58    51    54    62  -0.07550 -1.0 2.0
   58    51    54    62   0.20000  1.0 3.0
   58    51    54    66   0.86500  1.0 1.0
   58    51    54    66  -0.17500 -1.0 2.0
   58    51    54    66   0.20800  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    68   0.56750  1.0 1.0
   47    42    45    68  -0.07550 -1.0 2.0
   47    42    45    68   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   68    80    71    82   1.10000 -1.0 2.0
   71    85    80    81  10.50000 -1.0 2.0
   83    84    82    71   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   56    65    64    70  15.00000 -1.0 2.0
   72    76    70    64  15.00000 -1.0 2.0
END
