* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    31.51204   100.33416   -21.82330
    2     1 S   H    _HN1     2     1.03362   155.48343    79.24228
    3     1 S   H    _H1_     3     1.02865    97.11218  -109.62543
    4     1 S   H    _H2_     4     1.02798    59.48266   143.51742
    5     1 S   CT   _CA1     5     1.50343    61.63483     1.90957
    6     5 S   HC   _HA1     6     1.09584   103.94072   101.33224
    7     5 S   CO3  _C1_     7     1.54119   113.48818   -14.60097
    8     7 S   O2Z  _O11     8     1.26538   114.70090    23.87003
    9     7 S   O2Z  _O12     9     1.26230   116.02732  -157.03712
   10     5 S   CT   _CB1    10     1.53300   106.94979  -141.10373
   11    10 S   HC   HB11    11     1.09521   110.10554   -21.47034
   12    10 S   HC   HB12    12     1.09798   110.41698    93.80998
   13    10 S   CT   _CG1    13     1.53303   112.82299  -144.27280
   14    13 S   HC   HG11    14     1.09531   110.73738   -95.45749
   15    13 S   HC   HG12    15     1.09631   111.87831    24.04735
   16    13 S   C    _CD1    16     1.51596   110.15760   143.91210
   17    16 S   O    _OE1    17     1.22783   122.12053   104.62097
   18    16 S   N    _N2_    18     1.38529   112.33220   -73.95430
   19    18 S   H    _HN2    19     1.01894   118.81494     0.98278
   20    18 S   CT1  _CA2    20     1.45779   123.30674   174.24762
   21    20 S   HC   _HA2    21     1.09724   108.61385    27.00141
   22    20 S   C    _C2_    22     1.53222   109.18261   -89.22524
   23    22 S   O    _O2_    23     1.23202   120.80101   150.68865
   24    20 S   CT   _CB2    32     1.53270   111.83545   149.97772
   25    24 S   HC   HB21    33     1.09424   110.36363    55.24114
   26    24 S   HC   HB22    34     1.09539   109.84350   174.15514
   27    22 S   N    _N3_    24     1.38377   114.95797   -36.68831
   28    27 S   H    _HN3    25     1.01878   119.51024     0.72820
   29    24 S   S    _SG2    35     1.82556   110.75618   -65.95678
   30    27 S   CT   _CA3    26     1.45358   122.67141  -177.64898
   31    30 S   HC   HA31    27     1.09569   108.41557   -46.57779
   32    30 S   HC   HA32    28     1.09577   107.05028    69.32445
   33    29 S   CT   _C7_    36     1.84039   100.13903  -175.15835
   34    33 S   HC   _H6_    37     1.09756   105.84520    45.64805
   35    30 S   CO3  _C3_    29     1.52915   114.01554  -168.09635
   36    35 S   O2Z  _O31    30     1.26407   115.79936    44.17182
   37    35 S   O2Z  _O32    31     1.26402   114.84258  -136.77826
   38    33 S   CT   _C6_    38     1.54812   110.15226   160.74093
   39    38 S   HC   _H5_    39     1.09712   110.05176   -58.27406
   40    38 S   CT   _C5_    40     1.54154   108.54670  -177.27746
   41    40 S   HC   _H4_    41     1.09813   108.02600    62.72516
   42    38 S   OS   _O44    78     1.42597   111.02857    62.05477
   43    40 S   CT   _C4_    42     1.53738   113.27525   -56.67787
   44    43 S   HC   _H3_    43     1.09702   107.68413   175.98770
   45    40 S   OS   _O48    71     1.42398   110.57479  -179.09172
   46    42 S   P2   _P4_    79     1.63058   119.82536  -130.00059
   47    46 S   O2Z  _O47    80     1.51106   110.15335   -62.89737
   48    46 S   O2Z  _O45    81     1.51148   109.67267    72.22315
   49    43 S   CT   _C9_    44     1.53691   110.83465    55.27920
   50    49 S   HC   _H8_    45     1.09484   108.68654  -172.94826
   51    43 S   OS   _O52    65     1.42433   110.30027   -65.78142
   52    45 S   P1   _P5_    72     1.61262   119.20382   -98.25381
   53    52 S   O2Z  _O49    73     1.49952   115.55421    53.08219
   54    46 S   OS   _O46    82     1.63069    98.07815  -175.04271
   55    54 S   HO   _H12    83     0.97903   115.80526    75.00585
   56    33 S   CT   _C8_    46     1.54886   112.51454   -72.45466
   57    56 S   HC   _H7_    47     1.09641   108.71670    61.68802
   58    49 S   OS   _O33    58     1.42867   108.53503    67.91958
   59    51 S   P2   _P6_    66     1.62881   119.21664  -138.43999
   60    59 S   O2Z  _O55    67     1.51154   109.13203    80.51441
   61    59 S   O2Z  _O53    68     1.51140   109.94341   -54.33184
   62    52 S   OS   _O50    74     1.61464   104.02495   -72.95715
   63    62 S   HO   _H13    75     0.97887   117.76438   171.99197
   64    52 S   OS   _O51    76     1.61294   103.76840   179.61845
   65    64 S   HO   _H14    77     0.97849   117.91065  -164.66309
   66    56 S   OS   _O37    48     1.42638   110.60516   -58.36207
   67    58 S   P1   _P1_    59     1.61428   118.92593   108.48265
   68    67 S   O2Z  _O34    60     1.49869   115.22622    60.12921
   69    59 S   OS   _O54    69     1.63058    98.03726  -166.71182
   70    69 S   HO   _H15    70     0.97993   115.82873    73.84205
   71    66 S   P2   _P2_    49     1.63320   120.15094   142.89712
   72    71 S   O2Z  _O39    50     1.51241   108.15319   179.58693
   73    71 S   O2Z  _O38    51     1.51342   109.51916    46.35088
   74    67 S   OS   _O35    61     1.61230   104.21097   -66.79204
   75    74 S   HO   _H9_    62     0.97910   118.12936   163.02161
   76    67 S   OS   _O36    63     1.61374   103.62921  -174.37608
   77    76 S   HO   _H10    64     0.97918   117.71765  -169.91987
   78    71 S   OS   _O40    52     1.63013    99.16317   -67.14243
   79    78 S   P2   _P3_    53     1.62614   129.06160   159.37115
   80    79 S   O2Z  _O43    54     1.50973   110.09792    51.32554
   81    79 S   O2Z  _O41    55     1.51174   108.30669  -174.76441
   82    79 S   OS   _O42    56     1.62931    98.63066   -62.31261
   83    82 S   HO   _H11    57     0.98179   115.66787    65.93069
  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
  16   8   2   1   1  17   7  16   7   8  15   7   8   4   3   2
  12   6   7   5   4   1   1   8   3   7   4   3   2   3   1   1
   1   5   5   4   1   1   7   3   2   3   1   1   1   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    56    57    66    71    58    45    42    46  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    51    45    52    42    46    47    48    54  
   40    41    43    56    45    42    46  
   41    43    44    49    50    56    58    51    59    45    52    53    62    64    42    46  
   43    44    49    51    45    52    42  
   46    47    48    54    55    43    45    56  
   44    49    50    56    57    66    58    67    51    59    60    61    69    45    52  
   49    50    56    58    51    59    45  
   52    53    62    63    64    65    49    51  
   47    48    54    55  
   48    54    55  
   54    55  
   50    56    57    66    71    58    67    68    74    76    51    59  
   56    57    66    58    67    51  
   59    60    61    69    70    56    58  
   53    62    63    64    65  
   62    63    64    65  
   55  
    0  
   57    66    71    72    73    78    58    67  
   66    71    58  
   67    68    74    75    76    77    66  
   60    61    69    70  
   61    69    70  
   69    70  
   63    64    65  
   64  
   65  
    0  
   71    72    73    78    79  
   68    74    75    76    77  
   74    75    76    77  
   70  
    0  
   72    73    78    79    80    81    82  
   73    78    79  
   78    79  
   75    76    77  
   76  
   77  
    0  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   80   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    58   320.000  1.410
   56    57   340.000  1.090
   56    66   320.000  1.410
   66    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    78   230.000  1.697
   78    79   230.000  1.697
   79    80   525.000  1.480
   79    81   525.000  1.480
   79    82   230.000  1.697
   82    83   553.000  0.945
   58    67   405.000  1.623
   67    68   675.000  1.490
   67    74   405.000  1.623
   67    76   405.000  1.623
   74    75   553.000  0.945
   76    77   553.000  0.945
   51    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    69   230.000  1.697
   69    70   553.000  0.945
   45    52   405.000  1.623
   52    53   675.000  1.490
   52    62   405.000  1.623
   52    64   405.000  1.623
   62    63   553.000  0.945
   64    65   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    54   230.000  1.697
   54    55   553.000  0.945
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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    66    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52    75.00000  119.24600
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    56    58.35000  112.70000
   43    49    58    50.00000  109.50000
   43    51    59   100.00000  120.50000
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    66    50.00000  109.50000
   49    58    67    75.00000  119.24600
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    49    50    37.50000  110.70000
   56    66    71   100.00000  120.50000
   66    56    57    35.00000  109.50000
   66    71    72   100.00000  108.23000
   66    71    73   100.00000  108.23000
   66    71    78    45.00000  102.60000
   71    78    79    50.00000  132.62000
   73    71    72   140.00000  119.90000
   78    71    72   100.00000  108.23000
   78    71    73   100.00000  108.23000
   78    79    80   100.00000  108.23000
   78    79    81   100.00000  108.23000
   78    79    82    45.00000  102.60000
   79    82    83    45.00000  108.50000
   81    79    80   140.00000  119.90000
   82    79    80   100.00000  108.23000
   82    79    81   100.00000  108.23000
   58    49    50    35.00000  109.50000
   58    49    56    50.00000  109.50000
   58    67    68   100.00000  115.86100
   58    67    74   120.00000  102.38000
   58    67    76   120.00000  102.38000
   67    74    75    50.00000  113.86100
   67    76    77    50.00000  113.86100
   74    67    68   100.00000  115.86100
   76    67    68   100.00000  115.86100
   76    67    74   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  108.23000
   51    59    61   100.00000  108.23000
   51    59    69    45.00000  102.60000
   59    69    70    45.00000  108.50000
   61    59    60   140.00000  119.90000
   69    59    60   100.00000  108.23000
   69    59    61   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  115.86100
   45    52    62   120.00000  102.38000
   45    52    64   120.00000  102.38000
   52    62    63    50.00000  113.86100
   52    64    65    50.00000  113.86100
   62    52    53   100.00000  115.86100
   64    52    53   100.00000  115.86100
   64    52    62   120.00000  102.38000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    54    45.00000  102.60000
   46    54    55    45.00000  108.50000
   48    46    47   140.00000  119.90000
   54    46    47   100.00000  108.23000
   54    46    48   100.00000  108.23000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.56750  1.0 1.0
   29    33    56    66  -0.07550 -1.0 2.0
   29    33    56    66   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    56    66    71  -2.65550  1.0 1.0
   33    56    66    71  -0.22350 -1.0 2.0
   33    56    66    71   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    56    49   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    66   0.23400  1.0 3.0
   38    33    56    49   0.56750  1.0 1.0
   38    33    56    49  -0.07550 -1.0 2.0
   38    33    56    49   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    66   0.62750  1.0 1.0
   38    33    56    66  -0.30950 -1.0 2.0
   38    33    56    66   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.05050  1.0 1.0
   38    42    46    54  -1.30700 -1.0 2.0
   38    42    46    54   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    56   0.56750  1.0 1.0
   40    43    49    56  -0.07550 -1.0 2.0
   40    43    49    56   0.20000  1.0 3.0
   40    43    49    58   0.62750  1.0 1.0
   40    43    49    58  -0.30950 -1.0 2.0
   40    43    49    58   0.27300  1.0 3.0
   40    43    51    59  -2.65550  1.0 1.0
   40    43    51    59  -0.22350 -1.0 2.0
   40    43    51    59   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    62   0.91800  1.0 1.0
   40    45    52    62   0.22900 -1.0 2.0
   40    45    52    62   0.32050  1.0 3.0
   40    45    52    64   0.91800  1.0 1.0
   40    45    52    64   0.22900 -1.0 2.0
   40    45    52    64   0.32050  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -56    33   0.56750  1.0 1.0
   43    49   -56    33  -0.07550 -1.0 2.0
   43    49   -56    33   0.20000  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    66   0.62750  1.0 1.0
   43    49    56    66  -0.30950 -1.0 2.0
   43    49    56    66   0.27300  1.0 3.0
   43    49    58    67  -2.65550  1.0 1.0
   43    49    58    67  -0.22350 -1.0 2.0
   43    49    58    67   0.24150  1.0 3.0
   43    51    59    60   0.00000  1.0 1.0
   43    51    59    61   0.00000  1.0 1.0
   43    51    59    69   0.05050  1.0 1.0
   43    51    59    69  -1.30700 -1.0 2.0
   43    51    59    69   0.91550  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    49    58   0.23400  1.0 3.0
   44    43    51    59   0.03000  1.0 3.0
   49    43    51    59  -2.65550  1.0 1.0
   49    43    51    59  -0.22350 -1.0 2.0
   49    43    51    59   0.24150  1.0 3.0
   49    56    66    71  -2.65550  1.0 1.0
   49    56    66    71  -0.22350 -1.0 2.0
   49    56    66    71   0.24150  1.0 3.0
   49    58    67    68   0.00000  1.0 1.0
   49    58    67    74   0.91800  1.0 1.0
   49    58    67    74   0.22900 -1.0 2.0
   49    58    67    74   0.32050  1.0 3.0
   49    58    67    76   0.91800  1.0 1.0
   49    58    67    76   0.22900 -1.0 2.0
   49    58    67    76   0.32050  1.0 3.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    66   0.23400  1.0 3.0
   50    49    58    67   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    49    58    67  -2.65550  1.0 1.0
   56    49    58    67  -0.22350 -1.0 2.0
   56    49    58    67   0.24150  1.0 3.0
   56    66    71    72   0.00000  1.0 1.0
   56    66    71    73   0.00000  1.0 1.0
   56    66    71    78   0.05050  1.0 1.0
   56    66    71    78  -1.30700 -1.0 2.0
   56    66    71    78   0.91550  1.0 3.0
   57    56    66    71   0.03000  1.0 3.0
   66    71    78    79   0.15000  1.0 3.0
   71    78    79    80   0.50000  1.0 3.0
   71    78    79    81   0.50000  1.0 3.0
   71    78    79    82   0.15000  1.0 3.0
   72    71    78    79   0.50000  1.0 3.0
   73    71    78    79   0.50000  1.0 3.0
   78    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   58    49    56    33   0.62750  1.0 1.0
   58    49    56    33  -0.30950 -1.0 2.0
   58    49    56    33   0.27300  1.0 3.0
   58    49    56    57   0.23400  1.0 3.0
   58    49    56    66   1.11900  1.0 1.0
   58    49    56    66  -1.16350 -1.0 2.0
   58    49    56    66  -0.34150  1.0 3.0
   58    67    74    75  -0.22900  1.0 1.0
   58    67    74    75   0.09450 -1.0 2.0
   58    67    74    75  -0.07800  1.0 3.0
   58    67    76    77  -0.22900  1.0 1.0
   58    67    76    77   0.09450 -1.0 2.0
   58    67    76    77  -0.07800  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    76    77   0.00000  1.0 1.0
   74    67    76    77  -0.22900  1.0 1.0
   74    67    76    77   0.09450 -1.0 2.0
   74    67    76    77  -0.07800  1.0 3.0
   76    67    74    75  -0.22900  1.0 1.0
   76    67    74    75   0.09450 -1.0 2.0
   76    67    74    75  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    56   0.62750  1.0 1.0
   51    43    49    56  -0.30950 -1.0 2.0
   51    43    49    56   0.27300  1.0 3.0
   51    43    49    58   1.11900  1.0 1.0
   51    43    49    58  -1.16350 -1.0 2.0
   51    43    49    58  -0.34150  1.0 3.0
   51    59    69    70   0.00000  1.0 1.0
   60    59    69    70   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    62    63  -0.22900  1.0 1.0
   45    52    62    63   0.09450 -1.0 2.0
   45    52    62    63  -0.07800  1.0 3.0
   45    52    64    65  -0.22900  1.0 1.0
   45    52    64    65   0.09450 -1.0 2.0
   45    52    64    65  -0.07800  1.0 3.0
   53    52    62    63   0.00000  1.0 1.0
   53    52    64    65   0.00000  1.0 1.0
   62    52    64    65  -0.22900  1.0 1.0
   62    52    64    65   0.09450 -1.0 2.0
   62    52    64    65  -0.07800  1.0 3.0
   64    52    62    63  -0.22900  1.0 1.0
   64    52    62    63   0.09450 -1.0 2.0
   64    52    62    63  -0.07800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    54    55   0.00000  1.0 1.0
   47    46    54    55   0.00000  1.0 1.0
   48    46    54    55   0.00000  1.0 1.0
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
END
