* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    167    249     483
    1     0 S   NP   _N1_     1    29.24631    92.29140   -23.27706
    2     1 S   H    _HN1     2     1.02964    93.11619    31.09923
    3     1 S   H    _H1_     3     1.02829    16.36857   179.88297
    4     1 S   H    _H2_     4     1.02773   105.42313   -78.90285
    5     1 S   CT   _CA1     5     1.50146   125.08454   148.70468
    6     5 S   HC   _HA1     6     1.09579   105.19768    68.15018
    7     5 S   CO3  _C1_     7     1.53781   112.42565   -51.91367
    8     7 S   O2Z  _O11     8     1.26353   115.00732   -41.94634
    9     7 S   O2Z  _O12     9     1.26252   114.91702   137.11354
   10     5 S   CT   _CB1    10     1.53074   107.36868  -174.03875
   11    10 S   HC   HB11    11     1.09823   109.19195   -51.24937
   12    10 S   HC   HB12    12     1.09825   110.43506    65.22223
   13    10 S   CT   _CG1    13     1.53018   112.77812  -172.45379
   14    13 S   HC   HG11    14     1.09595   110.32087   -64.86271
   15    13 S   HC   HG12    15     1.09641   110.11945    54.40807
   16    13 S   C    _CD1    16     1.51779   112.22815   174.55497
   17    16 S   O    _OE1    17     1.22747   123.19794    -7.00524
   18    16 S   N    _N2_    18     1.38699   111.75538   173.59495
   19    18 S   H    _HN2    19     1.01583   119.11505     1.49187
   20    18 S   CT1  _CA2    20     1.46059   123.20259  -179.01067
   21    20 S   HC   _HA2    21     1.09578   109.21685    -6.38632
   22    20 S   C    _C2_    22     1.53452   109.10040  -121.54043
   23    22 S   O    _O2_    23     1.23046   121.99458  -148.91470
   24    20 S   CT   _CB2    32     1.53479   111.84122   115.79054
   25    24 S   HC   HB21    33     1.09656   109.56697    65.20933
   26    24 S   HC   HB22    34     1.09583   110.73883  -177.60477
   27    22 S   N    _N3_    24     1.38438   113.58874    38.68966
   28    27 S   H    _HN3    25     1.01509   118.93653    -0.95593
   29    24 S   S    _SG2    35     1.82860   115.01320   -54.56137
   30    27 S   CT   _CA3    26     1.45447   123.50854   174.69378
   31    30 S   HC   HA31    27     1.09518   109.31346    23.28035
   32    30 S   HC   HA32    28     1.09496   107.12103   140.31945
   33    29 S   CT   _C23    36     1.82517    99.97453   -65.09723
   34    33 S   HC   _H3_    37     1.09322   107.46217   -59.59902
   35    33 S   HC   _H4_    38     1.09326   109.37835    57.52291
   36    30 S   CO3  _C3_    29     1.52925   112.99771  -100.22407
   37    36 S   O2Z  _O31    30     1.26411   115.37007   -45.26576
   38    36 S   O2Z  _O32    31     1.26346   115.00610   135.61503
   39    33 S   CT   _C14    39     1.53312   111.33779   178.91088
   40    39 S   HC   _H36    40     1.09705   112.22405    40.44489
   41    39 S   CO4  _C8_    41     1.50876   111.36594   -80.18186
   42    41 S   O    _O22    42     1.22185   125.93402    50.08085
   43    41 S   OS   _O24    43     1.35770   110.75868  -131.01437
   44    43 S   CT   _C16    44     1.43230   111.45210    -0.01978
   45    44 S   HC   _H38    45     1.09764   106.53954  -105.91146
   46    44 S   CT   _C13    46     1.53820   108.02591   138.18237
   47    46 S   HC   _H35    47     1.09722   108.97657    54.70672
   48    39 S   CT   _C15    60     1.54183   111.28673   164.53056
   49    48 S   HC   _H37    61     1.09547   108.11818    18.53129
   50    46 S   CM   _C7_    48     1.49329   117.53379   -69.37121
   51    50 S   CM   _C5_    49     1.33272   109.35902  -117.62785
   52    51 S   HC   _H30    50     1.08101   125.01961  -178.88724
   53    50 S   CT   _C20    86     1.48457   123.60156    64.59131
   54    53 S   HC   _H43    87     1.09315   110.83993   -68.86372
   55    53 S   HC   _H44    88     1.09506   111.42813   171.35364
   56    53 S   HC   _H45    89     1.09432   110.46602    51.66108
   57    51 S   CO   _C18    51     1.49517   110.60157     1.53021
   58    57 S   CM   _C4_    52     1.51365   109.74627   115.59648
   59    58 S   HC   _H29    53     1.09183   112.29394    65.08954
   60    46 S   OS   _O25    77     1.43951   108.85303   171.28003
   61    57 S   OS   _O27    78     1.43370   106.58783  -125.20111
   62    58 S   CM   _C6_    54     1.34925   131.06782  -113.72284
   63    61 S   CT   _C24    79     1.42662   114.27203   165.24731
   64    63 S   HC   _H54    80     1.09496   109.96940   -63.29272
   65    63 S   HC   _H55    81     1.09476   110.55493    57.37530
   66    62 S   CT   _C12    55     1.51654   126.10144    -3.00224
   67    66 S   HC   _H33    56     1.09865   107.09429  -143.71423
   68    66 S   HC   _H34    57     1.09282   111.18371   -31.62741
   69    62 S   CT   _C19    73     1.51054   118.93568   179.74977
   70    69 S   HC   _H40    74     1.09497   110.44491   124.15089
   71    69 S   HC   _H41    75     1.09539   112.45370     4.54079
   72    69 S   HC   _H42    76     1.09277   110.71889  -115.40703
   73    63 S   CT   _C22    82     1.51643   108.12065   177.27825
   74    73 S   HC   _H49    83     1.09504   110.59725   -59.39138
   75    73 S   HC   _H50    84     1.09505   110.62460    58.89031
   76    73 S   HC   _H51    85     1.09358   110.90437   179.76015
   77    66 S   CT   _C17    58     1.54431   116.17230    94.93947
   78    77 S   HC   _H39    59     1.09899   107.59763  -179.37130
   79    77 S   OS   _O26    62     1.45062   109.17574    63.54616
   80    79 S   CO4  _C11    63     1.36141   117.52192    82.05243
   81    80 S   O    _O23    64     1.22283   125.87851     1.15640
   82    80 S   CM   _C10    65     1.48910   109.91186  -178.21513
   83    82 S   CM   _C9_    66     1.34164   117.22589   170.13267
   84    83 S   HC   _H31    67     1.08560   120.96629   179.86583
   85    83 S   HC   _H32    68     1.08540   122.51115    -0.22206
   86    82 S   CT   _C21    69     1.49664   120.47845   -10.07197
   87    86 S   HC   _H46    70     1.09360   110.29175   -62.11047
   88    86 S   HC   _H47    71     1.09442   111.01906    58.65553
   89    86 S   HC   _H48    72     1.09545   111.87538   178.48276
  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
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6  11
   4  10  12   5   5   2   1   1  11  13   5   3   8  10   6   5
   4  10   5   4   4   2   1   1   3   2   1   1   5   2   5   9
   3   7   6   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    77    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    77    78    48    49    79  
   41    42    43    44    77    48    49  
   42    43    44    45    46    77    48    49  
   43    44    48  
   44    45    46    47    50    77    48    49    60  
   45    46    47    50    51    57    66    77    78    48    49    79    60    53  
   46    47    50    77    48    49    60  
   47    50    51    52    57    58    77    48    49    60    61    53    54    55    56  
   50    51    57    48    60    53  
   49    79    80    60    50    62    66    67    68    77    78  
   79    66    77    78  
   51    52    57    58    60    61    53    54    55    56  
   52    57    58    59    62    60    61    63    53    54    55    56  
   57    58    60    61    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    66    69    60    61    63    64    65    73  
   59    62    66    67    68    77    69    70    71    72    60    61    63  
   62    66    69    60    61  
   61    63    62  
   63    64    65    73    74    75    76    62  
   66    67    68    77    78    79    69    70    71    72  
   64    65    73    74    75    76  
   65    73    74    75    76  
   73    74    75    76  
   67    68    77    78    79    80    69    70    71    72  
   68    77    78    79    69  
   77    78    79    69  
   70    71    72    77  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82  
   79    80  
   80    81    82    83    86  
   81    82    83    84    85    86    87    88    89  
   82    83    86  
   83    84    85    86    87    88    89  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   320.000  1.410
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   317.000  1.510
   57    60   320.000  1.380
   57    61   320.000  1.380
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    66   317.000  1.510
   62    69   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    77   268.000  1.529
   77    78   340.000  1.090
   77    48   268.000  1.529
   77    79   320.000  1.410
   48    49   340.000  1.090
   79    80   214.000  1.327
   80    81   570.000  1.229
   80    82   320.000  1.462
   82    83   549.000  1.340
   82    86   317.000  1.510
   83    84   340.000  1.080
   83    85   340.000  1.080
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    77    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    50.00000  109.50000
   44    48    77    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    53    65.00000  117.92700
   46    60    57    60.00000  109.50000
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    70.00000  110.12100
   51    57    60    85.00000  110.90400
   51    57    61    85.00000  110.90400
   57    51    52    35.00000  117.00000
   57    58    59    35.00000  117.00000
   57    58    62    70.00000  124.00000
   57    61    63    60.00000  109.50000
   58    62    66    70.00000  124.00000
   58    62    69    70.00000  124.00000
   62    58    59    35.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    77    70.00000  112.02700
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   66    77    78    37.50000  110.70000
   66    77    48    58.35000  112.70000
   66    77    79    50.00000  109.50000
   68    66    67    33.00000  107.80000
   77    66    67    37.50000  110.70000
   77    66    68    37.50000  110.70000
   77    48    49    37.50000  110.70000
   77    79    80    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    77    78    37.50000  110.70000
   79    77    78    35.00000  109.50000
   79    77    48    50.00000  109.50000
   79    80    81    83.00000  123.40000
   79    80    82    90.00000  111.29400
   80    82    83    65.00000  118.96000
   80    82    86    65.00000  116.34900
   82    80    81    80.00000  123.72100
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   85    83    84    35.00000  117.00000
   86    82    83    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   69    62    66    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    46    47    35.00000  109.50000
   60    46    50    85.00000  110.90400
   60    57    58    85.00000  110.90400
   61    57    58    85.00000  110.90400
   61    57    60    92.60000  111.55000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    73    50.00000  109.50000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    37.50000  110.70000
   65    63    64    33.00000  107.80000
   73    63    64    37.50000  110.70000
   73    63    65    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    77   0.56750  1.0 1.0
   33    39    48    77  -0.07550 -1.0 2.0
   33    39    48    77   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    77   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    77  -0.95700  1.0 1.0
   41    39    48    77  -0.18200 -1.0 2.0
   41    39    48    77   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   1.11900  1.0 1.0
   43    44    46    60  -1.16350 -1.0 2.0
   43    44    46    60  -0.34150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    77   0.62750  1.0 1.0
   43    44    48    77  -0.30950 -1.0 2.0
   43    44    48    77   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    53   0.46850  1.0 1.0
   44    46    50    53   0.08550 -1.0 2.0
   44    46    50    53   0.09800  1.0 3.0
   44    46    60    57   0.06250  1.0 1.0
   44    46    60    57  -0.01100 -1.0 2.0
   44    46    60    57   0.28050  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.23400  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    77   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    77   0.56750  1.0 1.0
   46    44    48    77  -0.07550 -1.0 2.0
   46    44    48    77   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   7.00000 -1.0 2.0
   46    50   -51    57   7.00000 -1.0 2.0
   46    50    53    54   0.34800  1.0 3.0
   46    50    53    55   0.34800  1.0 3.0
   46    50    53    56   0.34800  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    53   0.34800  1.0 3.0
   47    46    60    57   0.37050  1.0 3.0
   50    46   -60    57  -0.77900  1.0 1.0
   50    46   -60    57  -0.36900 -1.0 2.0
   50    46   -60    57   0.40400  1.0 3.0
   50    51    57    58  -0.28300  1.0 1.0
   50    51    57    58   0.26700 -1.0 2.0
   50    51    57    58  -0.63300  1.0 3.0
   50    51   -57    60   0.39000  1.0 1.0
   50    51   -57    60  -0.05800 -1.0 2.0
   50    51   -57    60  -0.55150  1.0 3.0
   50    51    57    61   0.39000  1.0 1.0
   50    51    57    61  -0.05800 -1.0 2.0
   50    51    57    61  -0.55150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    58    59   0.00000  1.0 1.0
   51    57    58    62  -0.28300  1.0 1.0
   51    57    58    62   0.26700 -1.0 2.0
   51    57    58    62  -0.63300  1.0 3.0
   51    57   -60    46  -0.77900  1.0 1.0
   51    57   -60    46  -0.36900 -1.0 2.0
   51    57   -60    46   0.40400  1.0 3.0
   51    57    61    63  -0.77900  1.0 1.0
   51    57    61    63  -0.36900 -1.0 2.0
   51    57    61    63   0.40400  1.0 3.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    60   0.00000  1.0 1.0
   52    51    57    61   0.00000  1.0 1.0
   57    58    62    66   7.00000 -1.0 2.0
   57    58    62    69   7.00000 -1.0 2.0
   57    61    63    64   0.37050  1.0 3.0
   57    61    63    65   0.37050  1.0 3.0
   57    61    63    73   0.06250  1.0 1.0
   57    61    63    73  -0.01100 -1.0 2.0
   57    61    63    73   0.28050  1.0 3.0
   58    57    60    46  -0.77900  1.0 1.0
   58    57    60    46  -0.36900 -1.0 2.0
   58    57    60    46   0.40400  1.0 3.0
   58    57    61    63  -0.77900  1.0 1.0
   58    57    61    63  -0.36900 -1.0 2.0
   58    57    61    63   0.40400  1.0 3.0
   58    62    66    67   0.00000  1.0 1.0
   58    62    66    68   0.00000  1.0 1.0
   58    62    66    77   0.09850  1.0 1.0
   58    62    66    77   0.15250 -1.0 2.0
   58    62    66    77  -0.50650  1.0 3.0
   58    62    69    70   0.00000  1.0 1.0
   58    62    69    71   0.00000  1.0 1.0
   58    62    69    72   0.00000  1.0 1.0
   59    58    62    66   7.00000 -1.0 2.0
   59    58    62    69   7.00000 -1.0 2.0
   62    66    77    78   0.15000  1.0 3.0
   62    66    77    48   0.34400  1.0 1.0
   62    66    77    48   0.09450 -1.0 2.0
   62    66    77    48   0.11100  1.0 3.0
   62    66    77    79   0.61850  1.0 1.0
   62    66    77    79  -0.22750 -1.0 2.0
   62    66    77    79   0.15300  1.0 3.0
   66    62    69    70   0.34800  1.0 3.0
   66    62    69    71   0.34800  1.0 3.0
   66    62    69    72   0.34800  1.0 3.0
   66    77    48    39   0.56750  1.0 1.0
   66    77    48    39  -0.07550 -1.0 2.0
   66    77    48    39   0.20000  1.0 3.0
   66    77    48    44   0.56750  1.0 1.0
   66    77    48    44  -0.07550 -1.0 2.0
   66    77    48    44   0.20000  1.0 3.0
   66    77    48    49   0.15000  1.0 3.0
   66    77    79    80  -0.25900  1.0 1.0
   66    77    79    80  -0.47000 -1.0 2.0
   66    77    79    80   0.11750  1.0 3.0
   67    66    77    78   0.15000  1.0 3.0
   67    66    77    48   0.15000  1.0 3.0
   67    66    77    79   0.23400  1.0 3.0
   68    66    77    78   0.15000  1.0 3.0
   68    66    77    48   0.15000  1.0 3.0
   68    66    77    79   0.23400  1.0 3.0
   77    79    80    81   3.00000 -1.0 2.0
   77    79    80    82   2.00000 -1.0 2.0
   78    77    48    39   0.15000  1.0 3.0
   78    77    48    44   0.15000  1.0 3.0
   78    77    48    49   0.15000  1.0 3.0
   78    77    79    80   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    60   0.62750  1.0 1.0
   48    44    46    60  -0.30950 -1.0 2.0
   48    44    46    60   0.27300  1.0 3.0
   48    77    79    80  -0.25900  1.0 1.0
   48    77    79    80  -0.47000 -1.0 2.0
   48    77    79    80   0.11750  1.0 3.0
   79    77    48    39   0.62750  1.0 1.0
   79    77    48    39  -0.30950 -1.0 2.0
   79    77    48    39   0.27300  1.0 3.0
   79    77    48    44   0.62750  1.0 1.0
   79    77    48    44  -0.30950 -1.0 2.0
   79    77    48    44   0.27300  1.0 3.0
   79    77    48    49   0.23400  1.0 3.0
   79    80    82    83  -0.56150  1.0 1.0
   79    80    82    83   2.19150 -1.0 2.0
   79    80    82    86  -0.15000  1.0 1.0
   79    80    82    86   0.89550 -1.0 2.0
   79    80    82    86  -0.06900  1.0 3.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    85   7.00000 -1.0 2.0
   80    82    86    87   0.15000  1.0 3.0
   80    82    86    88   0.15000  1.0 3.0
   80    82    86    89   0.15000  1.0 3.0
   81    80    82    83   1.00000 -1.0 2.0
   81    80    82    86  -0.64400  1.0 1.0
   81    80    82    86   0.26850 -1.0 2.0
   83    82    86    87   0.00000  1.0 1.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86    89   0.00000  1.0 1.0
   86    82    83    84   7.00000 -1.0 2.0
   86    82    83    85   7.00000 -1.0 2.0
   69    62    66    67   0.34800  1.0 3.0
   69    62    66    68   0.34800  1.0 3.0
   69    62    66    77   0.46850  1.0 1.0
   69    62    66    77   0.08550 -1.0 2.0
   69    62    66    77   0.09800  1.0 3.0
   60    46   -50    51   0.39000  1.0 1.0
   60    46   -50    51  -0.05800 -1.0 2.0
   60    46   -50    51  -0.55150  1.0 3.0
   60    46    50    53   0.09700  1.0 1.0
   60    46    50    53   0.15600 -1.0 2.0
   60    46    50    53  -0.50800  1.0 3.0
   60    57    58    59   0.00000  1.0 1.0
   60    57    58    62   0.39000  1.0 1.0
   60    57    58    62  -0.05800 -1.0 2.0
   60    57    58    62  -0.55150  1.0 3.0
   60    57    61    63  -0.53350  1.0 1.0
   60    57    61    63  -0.78350 -1.0 2.0
   60    57    61    63   0.33750  1.0 3.0
   61    57    58    59   0.00000  1.0 1.0
   61    57    58    62   0.39000  1.0 1.0
   61    57    58    62  -0.05800 -1.0 2.0
   61    57    58    62  -0.55150  1.0 3.0
   61    57    60    46  -0.53350  1.0 1.0
   61    57    60    46  -0.78350 -1.0 2.0
   61    57    60    46   0.33750  1.0 3.0
   61    63    73    74   0.23400  1.0 3.0
   61    63    73    75   0.23400  1.0 3.0
   61    63    73    76   0.23400  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   65    63    73    74   0.15000  1.0 3.0
   65    63    73    75   0.15000  1.0 3.0
   65    63    73    76   0.15000  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   57    59    58    62   1.10000 -1.0 2.0
   66    69    62    58   1.10000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   80    86    82    83  15.00000 -1.0 2.0
   84    85    83    82  15.00000 -1.0 2.0
END
