* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    30.26037    91.65913   -18.65445
    2     1 S   H    _HN1     2     1.03596   133.04474    90.62639
    3     1 S   H    _H1_     3     1.02752    25.77755    92.47035
    4     1 S   H    _H2_     4     1.02742    95.59890   -28.63708
    5     1 S   CT   _CA1     5     1.50106    97.31486  -141.68501
    6     5 S   HC   _HA1     6     1.09554   105.32447    46.29608
    7     5 S   CO3  _C1_     7     1.53800   112.69748   -74.27429
    8     7 S   O2Z  _O11     8     1.26378   115.35732   -48.91251
    9     7 S   O2Z  _O12     9     1.26286   114.79774   130.26593
   10     5 S   CT   _CB1    10     1.52798   106.99178   164.42691
   11    10 S   HC   HB11    11     1.09866   109.68070   -48.00314
   12    10 S   HC   HB12    12     1.09716   109.78087    67.96928
   13    10 S   CT   _CG1    13     1.53031   113.52525  -169.46539
   14    13 S   HC   HG11    14     1.09529   111.52112   -59.31669
   15    13 S   HC   HG12    15     1.09548   110.90856    60.55505
   16    13 S   C    _CD1    16     1.51412   108.73549   179.97202
   17    16 S   O    _OE1    17     1.22801   121.88685   -95.11768
   18    16 S   N    _N2_    18     1.38447   112.57162    81.79506
   19    18 S   H    _HN2    19     1.01572   119.07511     8.62571
   20    18 S   CT1  _CA2    20     1.46153   123.47090  -168.83849
   21    20 S   HC   _HA2    21     1.09734   108.97503     9.47229
   22    20 S   C    _C2_    22     1.53398   109.88428  -107.03632
   23    22 S   O    _O2_    23     1.23116   122.09366  -147.56303
   24    20 S   CT   _CB2    32     1.53633   111.00562   130.39246
   25    24 S   HC   HB21    33     1.09613   109.64680    64.30649
   26    24 S   HC   HB22    34     1.09483   110.11919  -176.99717
   27    22 S   N    _N3_    24     1.38284   114.08252    39.87588
   28    27 S   H    _HN3    25     1.01586   119.77888    -3.25654
   29    24 S   S    _SG2    35     1.82871   111.91672   -55.93051
   30    27 S   CT   _CA3    26     1.45310   122.80052   176.86781
   31    30 S   HC   HA31    27     1.09562   107.51070   -63.28523
   32    30 S   HC   HA32    28     1.09568   107.90457    53.03483
   33    29 S   CT   _C8_    36     1.84380    99.37316   173.52946
   34    33 S   HC   _H7_    37     1.09652   106.28950   -36.03218
   35    30 S   CO3  _C3_    29     1.52869   114.39288   175.05343
   36    35 S   O2Z  _O31    30     1.26318   116.14348    -0.67782
   37    35 S   O2Z  _O32    31     1.26452   114.36266   179.37945
   38    33 S   CT   _C9_    38     1.54462   110.26108  -153.28651
   39    38 S   HC   _H8_    39     1.09751   110.36432   -59.41924
   40    38 S   CT   _C4_    40     1.54502   109.99739   179.26671
   41    40 S   HC   _H3_    41     1.09558   108.89739   179.22519
   42    38 S   OS   _O33    78     1.43171   109.57097    60.82955
   43    40 S   CT   _C5_    42     1.53604   110.88686    57.56751
   44    43 S   HC   _H4_    43     1.09487   108.85051  -174.71154
   45    40 S   OS   _O52    72     1.42811   107.69546   -63.30819
   46    42 S   P2   _P1_    79     1.63046   119.29234  -139.78802
   47    46 S   O2Z  _O36    80     1.51273   109.58680    79.33841
   48    46 S   O2Z  _O34    81     1.51081   110.09885   -55.56538
   49    43 S   CT   _C6_    44     1.54149   112.59925   -54.52614
   50    49 S   HC   _H5_    45     1.09584   107.81667   171.04832
   51    43 S   OS   _O48    65     1.42632   108.32990    66.86950
   52    45 S   P2   _P6_    73     1.62741   121.11922  -158.44929
   53    52 S   O2Z  _O55    74     1.51115   110.09690   -74.71573
   54    52 S   O2Z  _O53    75     1.51155   109.37584    60.68318
   55    46 S   OS   _O35    82     1.62966    98.44307  -168.68307
   56    55 S   HO   _H9_    83     0.98407   117.01863   -78.49360
   57    33 S   CT   _C7_    46     1.54285   110.31323    83.01487
   58    57 S   HC   _H6_    47     1.09564   108.74730   -62.28398
   59    49 S   OS   _O41    54     1.42584   108.60332   -70.83378
   60    51 S   P1   _P5_    66     1.61325   119.10167   135.23672
   61    60 S   O2Z  _O49    67     1.49901   115.50369    53.60218
   62    52 S   OS   _O54    76     1.63109    97.55452   173.11413
   63    62 S   HO   _H15    77     0.98487   115.73981    66.49074
   64    57 S   OS   _O37    48     1.42946   109.72896    57.12788
   65    59 S   P1   _P3_    55     1.61382   119.75918  -145.07914
   66    65 S   O2Z  _O42    56     1.49984   115.36015   -62.61721
   67    60 S   OS   _O50    68     1.61333   104.00603   -72.95449
   68    67 S   HO   _H13    69     0.97880   118.02102   169.23027
   69    60 S   OS   _O51    70     1.61335   103.53140   179.58504
   70    69 S   HO   _H14    71     0.97878   117.84667  -167.95355
   71    64 S   P2   _P2_    49     1.63069   118.67966  -137.82565
   72    71 S   O2Z  _O40    50     1.51095   109.58248   -67.96601
   73    71 S   O2Z  _O38    51     1.51158   109.36681    67.03763
   74    65 S   OS   _O43    57     1.61613   103.76661    63.17032
   75    74 S   HO   _H11    58     0.97888   117.50197  -170.90050
   76    65 S   OS   _O44    59     1.60988   104.24510   170.28163
   77    71 S   OS   _O39    52     1.63008    98.27368   179.11663
   78    77 S   HO   _H10    53     0.97870   115.98585   -78.80239
   79    76 S   P2   _P4_    60     1.62372   131.28905    66.03963
   80    79 S   O2Z  _O47    61     1.51128   108.80539   168.21490
   81    79 S   O2Z  _O45    62     1.51052   109.42505   -57.82435
   82    79 S   OS   _O46    63     1.62943    99.21091    55.19753
   83    82 S   HO   _H12    64     0.97947   116.66039   -78.55988
  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   7   4   3   2
  12   6   8   4   3   2   1   1   8   3   7   5   4   1   1   5
   8   4   3   1   1   1   4   3   2   3   1   5   1   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    64    71    59    45    42    46  
   38    39    40    49    57    58    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    64    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    62    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    64    59    65    51    60    61    67    69    45    52  
   49    50    57    59    51    60    45  
   52    53    54    62    63    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    64    71    59    65    66    74    76    51    60  
   57    58    64    59    65    51  
   60    61    67    68    69    70    57    59  
   53    54    62    63  
   54    62    63  
   62    63  
   56  
    0  
   58    64    71    72    73    77    59    65  
   64    71    59  
   65    66    74    75    76    79    64  
   61    67    68    69    70  
   67    68    69    70  
   63  
    0  
   71    72    73    77    78  
   66    74    75    76    79    80    81    82  
   74    75    76    79  
   68    69    70  
   69  
   70  
    0  
   72    73    77    78  
   73    77    78  
   77    78  
   75    76    79  
   76  
   79    80    81    82    83  
   78  
    0  
   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   0.140000   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   0.212900   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  -0.610000   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  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.692500   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  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   67   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   69   2.8500   0.1400  -0.568200   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   1.662500   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  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7400   0.2000   1.565000   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    57   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    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    77   230.000  1.697
   77    78   553.000  0.945
   59    65   405.000  1.623
   65    66   675.000  1.490
   65    74   405.000  1.623
   65    76   405.000  1.623
   74    75   553.000  0.945
   76    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
   51    60   405.000  1.623
   60    61   675.000  1.490
   60    67   405.000  1.623
   60    69   405.000  1.623
   67    68   553.000  0.945
   69    70   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    62   230.000  1.697
   62    63   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   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    57    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    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    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   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   49    59    65    75.00000  119.24600
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    64    71   100.00000  120.50000
   64    57    58    35.00000  109.50000
   64    71    72   100.00000  108.23000
   64    71    73   100.00000  108.23000
   64    71    77    45.00000  102.60000
   71    77    78    45.00000  108.50000
   73    71    72   140.00000  119.90000
   77    71    72   100.00000  108.23000
   77    71    73   100.00000  108.23000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    65    66   100.00000  115.86100
   59    65    74   120.00000  102.38000
   59    65    76   120.00000  102.38000
   65    74    75    50.00000  113.86100
   65    76    79    55.00000  126.09000
   74    65    66   100.00000  115.86100
   76    65    66   100.00000  115.86100
   76    65    74   120.00000  102.38000
   76    79    80   100.00000  108.23000
   76    79    81   100.00000  108.23000
   76    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
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  115.86100
   51    60    67   120.00000  102.38000
   51    60    69   120.00000  102.38000
   60    67    68    50.00000  113.86100
   60    69    70    50.00000  113.86100
   67    60    61   100.00000  115.86100
   69    60    61   100.00000  115.86100
   69    60    67   120.00000  102.38000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    62    45.00000  102.60000
   52    62    63    45.00000  108.50000
   54    52    53   140.00000  119.90000
   62    52    53   100.00000  108.23000
   62    52    54   100.00000  108.23000
   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    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   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    57    64    71  -2.65550  1.0 1.0
   33    57    64    71  -0.22350 -1.0 2.0
   33    57    64    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    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    64   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    64   0.62750  1.0 1.0
   38    33    57    64  -0.30950 -1.0 2.0
   38    33    57    64   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    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   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    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    62   0.05050  1.0 1.0
   40    45    52    62  -1.30700 -1.0 2.0
   40    45    52    62   0.91550  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   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    64   0.62750  1.0 1.0
   43    49    57    64  -0.30950 -1.0 2.0
   43    49    57    64   0.27300  1.0 3.0
   43    49    59    65  -2.65550  1.0 1.0
   43    49    59    65  -0.22350 -1.0 2.0
   43    49    59    65   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    67   0.91800  1.0 1.0
   43    51    60    67   0.22900 -1.0 2.0
   43    51    60    67   0.32050  1.0 3.0
   43    51    60    69   0.91800  1.0 1.0
   43    51    60    69   0.22900 -1.0 2.0
   43    51    60    69   0.32050  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    64    71  -2.65550  1.0 1.0
   49    57    64    71  -0.22350 -1.0 2.0
   49    57    64    71   0.24150  1.0 3.0
   49    59    65    66   0.00000  1.0 1.0
   49    59    65    74   0.91800  1.0 1.0
   49    59    65    74   0.22900 -1.0 2.0
   49    59    65    74   0.32050  1.0 3.0
   49    59    65    76   0.91800  1.0 1.0
   49    59    65    76   0.22900 -1.0 2.0
   49    59    65    76   0.32050  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   50    49    59    65   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    65  -2.65550  1.0 1.0
   57    49    59    65  -0.22350 -1.0 2.0
   57    49    59    65   0.24150  1.0 3.0
   57    64    71    72   0.00000  1.0 1.0
   57    64    71    73   0.00000  1.0 1.0
   57    64    71    77   0.05050  1.0 1.0
   57    64    71    77  -1.30700 -1.0 2.0
   57    64    71    77   0.91550  1.0 3.0
   58    57    64    71   0.03000  1.0 3.0
   64    71    77    78   0.00000  1.0 1.0
   72    71    77    78   0.00000  1.0 1.0
   73    71    77    78   0.00000  1.0 1.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    64   1.11900  1.0 1.0
   59    49    57    64  -1.16350 -1.0 2.0
   59    49    57    64  -0.34150  1.0 3.0
   59    65    74    75  -0.22900  1.0 1.0
   59    65    74    75   0.09450 -1.0 2.0
   59    65    74    75  -0.07800  1.0 3.0
   59    65    76    79   0.88300  1.0 1.0
   59    65    76    79   0.16450 -1.0 2.0
   59    65    76    79   0.32850  1.0 3.0
   65    76    79    80   0.50000  1.0 3.0
   65    76    79    81   0.50000  1.0 3.0
   65    76    79    82   0.15000  1.0 3.0
   66    65    74    75   0.00000  1.0 1.0
   66    65    76    79   0.50000  1.0 3.0
   74    65    76    79   0.88300  1.0 1.0
   74    65    76    79   0.16450 -1.0 2.0
   74    65    76    79   0.32850  1.0 3.0
   76    65    74    75  -0.22900  1.0 1.0
   76    65    74    75   0.09450 -1.0 2.0
   76    65    74    75  -0.07800  1.0 3.0
   76    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
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    67    68  -0.22900  1.0 1.0
   51    60    67    68   0.09450 -1.0 2.0
   51    60    67    68  -0.07800  1.0 3.0
   51    60    69    70  -0.22900  1.0 1.0
   51    60    69    70   0.09450 -1.0 2.0
   51    60    69    70  -0.07800  1.0 3.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    69    70   0.00000  1.0 1.0
   67    60    69    70  -0.22900  1.0 1.0
   67    60    69    70   0.09450 -1.0 2.0
   67    60    69    70  -0.07800  1.0 3.0
   69    60    67    68  -0.22900  1.0 1.0
   69    60    67    68   0.09450 -1.0 2.0
   69    60    67    68  -0.07800  1.0 3.0
   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   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   54    52    62    63   0.00000  1.0 1.0
   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    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   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
