* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    246     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02025    85.85412    46.87629
    3     1 S   H    _H1_     3     1.02203    33.54916  -179.49371
    4     1 S   H    _H2_     4     1.02084    94.30115   -61.65270
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C8_    36     1.81869    98.23910   161.81952
   34    33 S   HC   _H4_    37     1.09471   109.35775   -55.76684
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C5_    38     1.48915   110.68346  -179.98022
   39    38 S   CM   _C6_    39     1.33427   108.60020  -107.42751
   40    38 S   CT   _C4_    79     1.48672   122.86717    73.94751
   41    40 S   HC   _H7_    80     1.09226   110.11094   -91.65780
   42    40 S   HC   _H8_    81     1.09260   110.16752   148.27495
   43    40 S   HC   _H9_    82     1.09180   110.14963    28.54307
   44    39 S   OS   _O33    40     1.39004   115.45202     0.05234
   45    39 S   OH   _O37    77     1.36902   124.22426   179.27153
   46    45 S   HO   _H25    78     0.96674   110.45234   179.97202
   47    33 S   CO   _C7_    41     1.53696   111.54149    68.71858
   48    47 S   HC   _H3_    42     1.09592   113.18009   -20.75092
   49    47 S   OS   _O34    43     1.41216   108.79561  -140.03728
   50    49 S   CM   _C9_    44     1.36614   113.15655   162.84330
   51    50 S   HC   _H10    45     1.07890   111.33132    29.91703
   52    50 S   CM   _C10    46     1.33606   124.92497  -149.97956
   53    52 S   CO4  _C16    47     1.47104   121.86753  -179.98022
   54    53 S   O    _O36    48     1.21820   126.99473     0.33396
   55    53 S   OS   _O35    49     1.36099   107.42508  -179.81655
   56    55 S   CT   _C15    50     1.43306   112.40243     1.45185
   57    56 S   HC   _H6_    51     1.09520   109.26879  -124.55872
   58    56 S   CM   _C14    52     1.50041   111.77473   111.69554
   59    58 S   CM   _C13    53     1.34135   110.88638  -120.53363
   60    59 S   CT   _C20    54     1.49111   125.12349  -176.90415
   61    60 S   HC   _H17    55     1.09619   108.65203   134.72565
   62    60 S   HC   _H18    56     1.09591   110.20627  -107.99554
   63    59 S   CT   _C12    72     1.49234   113.11783     1.00054
   64    63 S   HC   _H11    73     1.09591   111.70295   124.43137
   65    63 S   HC   _H12    74     1.09707   109.65022  -115.63406
   66    60 S   CT   _C19    57     1.52969   112.08474    13.57822
   67    66 S   HC   _H15    58     1.09615   109.39390    80.58549
   68    66 S   HC   _H16    59     1.09648   109.63717  -163.09496
   69    52 S   CT   _C11    75     1.48620   128.00157    -0.61421
   70    69 S   HC   _H5_    76     1.09820   109.35011   -63.45049
   71    66 S   CT   _C18    60     1.53139   111.60372   -41.24668
   72    71 S   HC   _H13    61     1.09999   108.04189   179.91607
   73    71 S   HC   _H14    62     1.09786   109.33310   -65.11397
   74    58 S   CT   _C17    63     1.51477   125.19296    62.93186
   75    74 S   CT   _C21    64     1.54109   108.93749    70.67261
   76    75 S   HC   _H19    65     1.08437   109.21904  -179.97202
   77    75 S   HC   _H20    66     1.08483   109.20379    60.03059
   78    75 S   HC   _H21    67     1.08459   109.19249   -59.95595
   79    74 S   CT   _C22    68     1.54015   112.35202   -49.48246
   80    79 S   HC   _H22    69     1.08380   109.13389  -179.98022
   81    79 S   HC   _H23    70     1.08429   109.07643    60.01357
   82    79 S   HC   _H24    71     1.08426   109.11084   -59.97924
  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
  13   7   2   1   1  11  10   6   2   1   1   6   2   1   5   2
   5   9   3  12   8   3   8  13   6  22  15  13   6   5   6   3
   2   8   5   4   2   1  11   4   3   8   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    47    48    49    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    47    48    49    50    45    40    41    42    43  
   38    39    44    47    48    49    40  
   36    37  
   37  
    0  
   39    44    47    48    49    45    46    40    41    42    43  
   44    47    48    49    45    46    40    41    42    43  
   41    42    43    44    45    47  
   42    43  
   43  
    0  
   47    48    49    50    45    46  
   46    47  
    0  
   48    49    50    51    52  
   49    50  
   50    51    52    53    69  
   51    52    53    54    55    56    63    69    70  
   52    53    69  
   53    54    55    56    57    58    59    63    64    65    69    70  
   54    55    56    57    58    63    69    70  
   55    56    69  
   56    57    58    59    74    63    69    70  
   57    58    59    60    71    74    75    79    63    64    65    69    70  
   58    59    74    63    69    70  
   59    60    61    62    66    71    72    73    74    75    76    77    78    79    80    81    82    63    64    65    69    70  
   60    61    62    66    67    68    71    74    75    79    63    64    65    69    70  
   61    62    66    67    68    71    72    73    74    63    64    65    69  
   62    66    67    68    71    63  
   66    67    68    71    63  
   64    65    69    70    66    74  
   65    69    70  
   69    70  
   67    68    71    72    73    74    75    79  
   68    71    72    73    74  
   71    72    73    74  
   70    74  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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    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    47   250.000  1.527
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    44   440.000  1.360
   39    45   510.000  1.338
   44    47   320.000  1.380
   47    48   340.000  1.090
   47    49   320.000  1.380
   49    50   440.000  1.360
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    69   317.000  1.510
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.510
   56    69   268.000  1.529
   58    59   549.000  1.340
   58    74   317.000  1.510
   59    60   317.000  1.510
   59    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   45    46   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    47    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    47    44    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    35.00000  109.50000
   38    39    44    80.00000  120.01400
   38    39    45    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    43    35.00000  109.50000
   39    44    47    85.00000  113.97000
   39    45    46    70.00000  107.45700
   44    47    48    35.00000  109.50000
   44    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    70.00000  112.02700
   47    49    50    85.00000  113.97000
   49    47    48    35.00000  109.50000
   49    50    51    55.00000  109.52600
   49    50    52    80.00000  120.01400
   50    52    53    65.00000  118.96000
   50    52    69    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    55    90.00000  111.29400
   52    69    56    70.00000  112.02700
   52    69    63    70.00000  112.02700
   52    69    70    35.00000  109.50000
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    85.00000  110.90400
   55    56    69    50.00000  109.50000
   56    58    59    70.00000  124.00000
   56    58    74    65.00000  117.92700
   56    69    63    58.35000  112.70000
   56    69    70    37.50000  110.70000
   58    56    57    35.00000  109.50000
   58    59    60    70.00000  124.00000
   58    59    63    70.00000  124.00000
   58    74    71    70.00000  112.02700
   58    74    75    70.00000  112.02700
   58    74    79    70.00000  112.02700
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    66    70.00000  112.02700
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    69    70.00000  112.02700
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    79    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    58    59    70.00000  124.00000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   63    59    60    65.00000  117.92700
   63    69    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   69    52    53    65.00000  116.34900
   69    56    57    37.50000  110.70000
   69    56    58    70.00000  112.02700
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   45    39    44   115.00000  116.36000
   40    38    39    70.00000  124.00000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  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    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38   -39    44   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    43   0.34800  1.0 3.0
   33    47    49    50  -0.46850  1.0 1.0
   33    47    49    50   0.09300 -1.0 2.0
   33    47    49    50  -0.12850  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    47    44   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.23400  1.0 3.0
   38    33   -47    44   0.61850  1.0 1.0
   38    33   -47    44  -0.22750 -1.0 2.0
   38    33   -47    44   0.15300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.61850  1.0 1.0
   38    33    47    49  -0.22750 -1.0 2.0
   38    33    47    49   0.15300  1.0 3.0
   38    39   -44    47  -2.26850  1.0 1.0
   38    39   -44    47   3.39050 -1.0 2.0
   38    39    45    46  -0.66100  1.0 1.0
   38    39    45    46   1.20850 -1.0 2.0
   38    39    45    46  -0.36000  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    44   -47    33  -0.46850  1.0 1.0
   39    44   -47    33   0.09300 -1.0 2.0
   39    44   -47    33  -0.12850  1.0 3.0
   39    44    47    48   0.08050  1.0 3.0
   39    44    47    49  -0.48150  1.0 1.0
   39    44    47    49   0.09250 -1.0 2.0
   39    44    47    49  -0.12850  1.0 3.0
   44    39    45    46   2.00000 -1.0 2.0
   44    47    49    50  -0.48150  1.0 1.0
   44    47    49    50   0.09250 -1.0 2.0
   44    47    49    50  -0.12850  1.0 3.0
   47    33   -38    39   0.09850  1.0 1.0
   47    33   -38    39   0.15250 -1.0 2.0
   47    33   -38    39  -0.50650  1.0 3.0
   47    33    38    40   0.46850  1.0 1.0
   47    33    38    40   0.08550 -1.0 2.0
   47    33    38    40   0.09800  1.0 3.0
   47    49    50    51   0.50000 -1.0 2.0
   47    49    50    52  -2.26850  1.0 1.0
   47    49    50    52   3.39050 -1.0 2.0
   48    47    49    50   0.08050  1.0 3.0
   49    50    52    53   7.00000 -1.0 2.0
   49    50    52    69   7.00000 -1.0 2.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52    53    55  -0.56150  1.0 1.0
   50    52    53    55   2.19150 -1.0 2.0
   50    52    69    56   0.09850  1.0 1.0
   50    52    69    56   0.15250 -1.0 2.0
   50    52    69    56  -0.50650  1.0 3.0
   50    52    69    63   0.09850  1.0 1.0
   50    52    69    63   0.15250 -1.0 2.0
   50    52    69    63  -0.50650  1.0 3.0
   50    52    69    70   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    69   7.00000 -1.0 2.0
   52    53   -55    56   2.00000 -1.0 2.0
   53    52   -69    56   0.09700  1.0 1.0
   53    52   -69    56   0.15600 -1.0 2.0
   53    52   -69    56  -0.50800  1.0 3.0
   53    52    69    63   0.09700  1.0 1.0
   53    52    69    63   0.15600 -1.0 2.0
   53    52    69    63  -0.50800  1.0 3.0
   53    52    69    70   0.15000  1.0 3.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.82050  1.0 1.0
   53    55    56    58   0.00600 -1.0 2.0
   53    55    56    58   0.04400  1.0 3.0
   53    55   -56    69  -0.25900  1.0 1.0
   53    55   -56    69  -0.47000 -1.0 2.0
   53    55   -56    69   0.11750  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.39000  1.0 1.0
   55    56    58    59  -0.05800 -1.0 2.0
   55    56    58    59  -0.55150  1.0 3.0
   55    56    58    74   0.09700  1.0 1.0
   55    56    58    74   0.15600 -1.0 2.0
   55    56    58    74  -0.50800  1.0 3.0
   55    56   -69    52   0.61850  1.0 1.0
   55    56   -69    52  -0.22750 -1.0 2.0
   55    56   -69    52   0.15300  1.0 3.0
   55    56    69    63   0.62750  1.0 1.0
   55    56    69    63  -0.30950 -1.0 2.0
   55    56    69    63   0.27300  1.0 3.0
   55    56    69    70   0.23400  1.0 3.0
   56    58    59    60   7.00000 -1.0 2.0
   56    58   -59    63   7.00000 -1.0 2.0
   56    58    74    71   0.46850  1.0 1.0
   56    58    74    71   0.08550 -1.0 2.0
   56    58    74    71   0.09800  1.0 3.0
   56    58    74    75   0.46850  1.0 1.0
   56    58    74    75   0.08550 -1.0 2.0
   56    58    74    75   0.09800  1.0 3.0
   56    58    74    79   0.46850  1.0 1.0
   56    58    74    79   0.08550 -1.0 2.0
   56    58    74    79   0.09800  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    74   0.34800  1.0 3.0
   57    56    69    52   0.15000  1.0 3.0
   57    56    69    63   0.15000  1.0 3.0
   57    56    69    70   0.15000  1.0 3.0
   58    56    69    52   0.31000  1.0 1.0
   58    56    69    52   0.14700 -1.0 2.0
   58    56    69    52   0.07550  1.0 3.0
   58    56   -69    63   0.34400  1.0 1.0
   58    56   -69    63   0.09450 -1.0 2.0
   58    56   -69    63   0.11100  1.0 3.0
   58    56    69    70   0.15000  1.0 3.0
   58    59    60    61   0.00000  1.0 1.0
   58    59    60    62   0.00000  1.0 1.0
   58    59    60    66   0.09850  1.0 1.0
   58    59    60    66   0.15250 -1.0 2.0
   58    59    60    66  -0.50650  1.0 3.0
   58    59    63    64   0.00000  1.0 1.0
   58    59    63    65   0.00000  1.0 1.0
   58    59   -63    69   0.09850  1.0 1.0
   58    59   -63    69   0.15250 -1.0 2.0
   58    59   -63    69  -0.50650  1.0 3.0
   58    74    75    76   0.15000  1.0 3.0
   58    74    75    77   0.15000  1.0 3.0
   58    74    75    78   0.15000  1.0 3.0
   58    74    79    80   0.15000  1.0 3.0
   58    74    79    81   0.15000  1.0 3.0
   58    74    79    82   0.15000  1.0 3.0
   59    58    74    71   0.09850  1.0 1.0
   59    58    74    71   0.15250 -1.0 2.0
   59    58    74    71  -0.50650  1.0 3.0
   59    58    74    75   0.09850  1.0 1.0
   59    58    74    75   0.15250 -1.0 2.0
   59    58    74    75  -0.50650  1.0 3.0
   59    58    74    79   0.09850  1.0 1.0
   59    58    74    79   0.15250 -1.0 2.0
   59    58    74    79  -0.50650  1.0 3.0
   59    60    66    67   0.15000  1.0 3.0
   59    60    66    68   0.15000  1.0 3.0
   59    60   -66    71   0.34400  1.0 1.0
   59    60   -66    71   0.09450 -1.0 2.0
   59    60   -66    71   0.11100  1.0 3.0
   59    63    69    52   0.31000  1.0 1.0
   59    63    69    52   0.14700 -1.0 2.0
   59    63    69    52   0.07550  1.0 3.0
   59    63   -69    56   0.34400  1.0 1.0
   59    63   -69    56   0.09450 -1.0 2.0
   59    63   -69    56   0.11100  1.0 3.0
   59    63    69    70   0.15000  1.0 3.0
   60    59    63    64   0.34800  1.0 3.0
   60    59    63    65   0.34800  1.0 3.0
   60    59    63    69   0.46850  1.0 1.0
   60    59    63    69   0.08550 -1.0 2.0
   60    59    63    69   0.09800  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.56750  1.0 1.0
   60    66    71    74  -0.07550 -1.0 2.0
   60    66    71    74   0.20000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   66    71   -74    58   0.34400  1.0 1.0
   66    71   -74    58   0.09450 -1.0 2.0
   66    71   -74    58   0.11100  1.0 3.0
   66    71    74    75   0.56750  1.0 1.0
   66    71    74    75  -0.07550 -1.0 2.0
   66    71    74    75   0.20000  1.0 3.0
   66    71    74    79   0.56750  1.0 1.0
   66    71    74    79  -0.07550 -1.0 2.0
   66    71    74    79   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   71    74    75    76   0.15000  1.0 3.0
   71    74    75    77   0.15000  1.0 3.0
   71    74    75    78   0.15000  1.0 3.0
   71    74    79    80   0.15000  1.0 3.0
   71    74    79    81   0.15000  1.0 3.0
   71    74    79    82   0.15000  1.0 3.0
   72    71    74    58   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    79   0.15000  1.0 3.0
   73    71    74    58   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    79   0.15000  1.0 3.0
   74    58   -59    60   7.00000 -1.0 2.0
   74    58    59    63   7.00000 -1.0 2.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   79    74    75    76   0.15000  1.0 3.0
   79    74    75    77   0.15000  1.0 3.0
   79    74    75    78   0.15000  1.0 3.0
   63    59    60    61   0.34800  1.0 3.0
   63    59    60    62   0.34800  1.0 3.0
   63    59    60    66   0.46850  1.0 1.0
   63    59    60    66   0.08550 -1.0 2.0
   63    59    60    66   0.09800  1.0 3.0
   64    63    69    52   0.15000  1.0 3.0
   64    63    69    56   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   65    63    69    52   0.15000  1.0 3.0
   65    63    69    56   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   69    52    53    54  -0.64400  1.0 1.0
   69    52    53    54   0.26850 -1.0 2.0
   69    52   -53    55  -0.15000  1.0 1.0
   69    52   -53    55   0.89550 -1.0 2.0
   69    52   -53    55  -0.06900  1.0 3.0
   69    56   -58    59   0.09850  1.0 1.0
   69    56   -58    59   0.15250 -1.0 2.0
   69    56   -58    59  -0.50650  1.0 3.0
   69    56    58    74   0.46850  1.0 1.0
   69    56    58    74   0.08550 -1.0 2.0
   69    56    58    74   0.09800  1.0 3.0
   45    39    44    47   2.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    38    39    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   44    45    39    38   1.10000 -1.0 2.0
   49    51    50    52   1.10000 -1.0 2.0
   53    69    52    50   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   56    74    58    59   1.10000 -1.0 2.0
   60    63    59    58   1.10000 -1.0 2.0
END
