* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    251     466
    1     0 S   NP   _N1_     1    30.60335    96.07121   -16.82232
    2     1 S   H    _HN1     2     1.02976   134.64583    97.28621
    3     1 S   H    _H1_     3     1.02838    33.10641   137.29686
    4     1 S   H    _H2_     4     1.02786    80.34604    -8.98529
    5     1 S   CT   _CA1     5     1.50212   106.28512  -119.61423
    6     5 S   HC   _HA1     6     1.09548   105.26490    24.80342
    7     5 S   CO3  _C1_     7     1.53799   112.58800   -95.56604
    8     7 S   O2Z  _O11     8     1.26366   114.98304   -34.75983
    9     7 S   O2Z  _O12     9     1.26202   115.10207   144.63621
   10     5 S   CT   _CB1    10     1.52994   107.32094   143.08898
   11    10 S   HC   HB11    11     1.09852   109.61303   -47.19449
   12    10 S   HC   HB12    12     1.09752   110.10174    68.95398
   13    10 S   CT   _CG1    13     1.53104   113.05387  -168.25746
   14    13 S   HC   HG11    14     1.09534   111.35346   -63.91335
   15    13 S   HC   HG12    15     1.09579   110.80050    55.63126
   16    13 S   C    _CD1    16     1.51408   109.72933   175.13796
   17    16 S   O    _OE1    17     1.22787   121.81449   -95.56677
   18    16 S   N    _N2_    18     1.38336   112.59602    82.05473
   19    18 S   H    _HN2    19     1.01404   119.01679     5.50050
   20    18 S   CT1  _CA2    20     1.46083   123.62069  -173.16921
   21    20 S   HC   _HA2    21     1.09682   109.38358   -11.96179
   22    20 S   C    _C2_    22     1.53422   108.80982  -128.52054
   23    22 S   O    _O2_    23     1.23052   122.00259  -150.07094
   24    20 S   CT   _CB2    32     1.53588   111.13208   110.00205
   25    24 S   HC   HB21    33     1.09451   109.60603    62.16348
   26    24 S   HC   HB22    34     1.09540   110.31410  -179.80416
   27    22 S   N    _N3_    24     1.38405   113.74477    36.70114
   28    27 S   H    _HN3    25     1.01524   118.97501     0.63025
   29    24 S   S    _SG2    35     1.82834   112.25016   -59.77354
   30    27 S   CT   _CA3    26     1.45422   123.26446   176.79484
   31    30 S   HC   HA31    27     1.09546   108.98792    28.36771
   32    30 S   HC   HA32    28     1.09494   107.14962   145.23541
   33    29 S   CT   _C17    36     1.84320    99.68008   161.81335
   34    33 S   HC   _H3_    37     1.09477   107.60233    34.70416
   35    30 S   CO3  _C3_    29     1.52913   113.35008   -95.01738
   36    35 S   O2Z  _O31    30     1.26385   115.49853   -42.79361
   37    35 S   O2Z  _O32    31     1.26372   114.91976   138.19029
   38    33 S   CT   _C16    38     1.53107   113.27841   158.04631
   39    38 S   HC   _H37    39     1.09852   108.87841  -163.06926
   40    38 S   CO4  _C8_    40     1.51188   101.54347    84.81918
   41    40 S   O    _O21    41     1.22062   126.37347  -159.29295
   42    38 S   CT   _C20    79     1.51959   117.62458   -39.05115
   43    42 S   HC   _H40    80     1.09484   112.57386    70.11197
   44    42 S   HC   _H41    81     1.09455   111.04986   -52.43251
   45    42 S   HC   _H42    82     1.09606   109.96389  -171.54255
   46    40 S   OS   _O23    42     1.37011   109.36554    22.22884
   47    33 S   CO   _C18    43     1.53163   113.17041   -89.27552
   48    47 S   HC   _H39    44     1.10075   108.65187   163.33581
   49    47 S   OS   _O24    45     1.42634   113.12162    41.77483
   50    49 S   CM   _C9_    46     1.36997   113.19224   168.23365
   51    50 S   HC   _H26    47     1.08191   115.03885     5.36111
   52    50 S   CM   _C6_    48     1.33537   122.42294  -174.49199
   53    52 S   CO4  _C7_    49     1.47348   121.72576   179.42597
   54    53 S   O    _O20    50     1.21822   126.62384    -4.02681
   55    53 S   OS   _O22    51     1.36140   107.76490   177.12445
   56    55 S   CT   _C14    52     1.43106   111.48206    -5.21293
   57    56 S   HC   _H35    53     1.09487   109.46441  -111.13174
   58    56 S   CM   _C5_    54     1.49818   111.07927   124.45576
   59    58 S   CM   _C4_    55     1.34015   111.18537  -111.18860
   60    59 S   CT   _C10    56     1.49087   125.13670   179.66721
   61    60 S   HC   _H27    57     1.09672   108.63945   109.39326
   62    60 S   HC   _H28    58     1.09586   110.27375  -133.35174
   63    59 S   CT   _C11    74     1.49156   112.90621     0.28939
   64    63 S   HC   _H29    75     1.09540   110.94627   116.32604
   65    63 S   HC   _H30    76     1.09419   110.43436  -123.52795
   66    60 S   CT   _C12    59     1.53106   112.06150   -11.77776
   67    66 S   HC   _H31    60     1.09619   109.39927   162.17497
   68    66 S   HC   _H32    61     1.09668   109.61845   -81.46525
   69    52 S   CT   _C15    77     1.48305   128.56684    -1.30266
   70    69 S   HC   _H36    78     1.09499   111.34230   -53.77855
   71    66 S   CT   _C13    62     1.53180   111.67615    40.36122
   72    71 S   HC   _H33    63     1.09910   108.06978    63.17435
   73    71 S   HC   _H34    64     1.09729   109.30207   178.31646
   74    58 S   CT   _C19    65     1.51361   124.78616    69.61167
   75    74 S   CT   _C21    66     1.53962   111.32019    45.08817
   76    75 S   HC   _H43    67     1.09623   110.97789   175.48703
   77    75 S   HC   _H44    68     1.09631   111.37502    55.53642
   78    75 S   HC   _H45    69     1.09598   111.72299   -64.89221
   79    74 S   CT   _C22    70     1.54054   109.72111   -75.23224
   80    79 S   HC   _H46    71     1.09614   111.03047  -174.07864
   81    79 S   HC   _H47    72     1.09571   111.60263    66.61832
   82    79 S   HC   _H48    73     1.09561   111.92459   -53.76249
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  11   8   9   3   5   2   1   1   4   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    40    46    47    48    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    49    50    42    43    44    45  
   38    39    40    46    47    48    49    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    49    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    50  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.100000   1.3810   1.2100   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   268.000  1.529
   33    47   250.000  1.527
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   214.000  1.327
   46    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
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    81.00000  111.40000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    95.00000  111.08000
   46    40    41    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    75.00000  109.43000
   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
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   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    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.36750  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  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   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    47    46   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    46   0.62750  1.0 1.0
   38    33   -47    46  -0.30950 -1.0 2.0
   38    33   -47    46   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.62750  1.0 1.0
   38    33    47    49  -0.30950 -1.0 2.0
   38    33    47    49   0.27300  1.0 3.0
   38    40   -46    47   1.63150  1.0 1.0
   38    40   -46    47   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33  -2.60950  1.0 1.0
   40    46   -47    33   1.40200 -1.0 2.0
   40    46   -47    33   0.21950  1.0 3.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -1.83450  1.0 1.0
   40    46    47    49  -0.02700 -1.0 2.0
   40    46    47    49  -0.20100  1.0 3.0
   41    40    46    47   3.00000 -1.0 2.0
   46    47    49    50  -0.48150  1.0 1.0
   46    47    49    50   0.09250 -1.0 2.0
   46    47    49    50  -0.12850  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40  -0.95700  1.0 1.0
   47    33   -38    40  -0.18200 -1.0 2.0
   47    33   -38    40   0.29450  1.0 3.0
   47    33    38    42   3.97050  1.0 1.0
   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
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.36750  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
   38    46    40    41  10.50000 -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
