* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    204    327     608
    1     0 S   NP   _N1_     1    28.30267    96.26248   -24.96300
    2     1 S   H    _HN1     2     1.02776   112.50411  -100.81810
    3     1 S   H    _H1_     3     1.02957    76.10703     3.56326
    4     1 S   H    _H2_     4     1.02835    31.63108   171.38990
    5     1 S   CT   _CA1     5     1.50130   129.37420   108.70396
    6     5 S   HC   _HA1     6     1.09574   105.22133    89.07099
    7     5 S   CO3  _C1_     7     1.53791   112.35586   -31.13819
    8     7 S   O2Z  _O11     8     1.26367   114.99530   -43.97878
    9     7 S   O2Z  _O12     9     1.26234   114.93327   135.12776
   10     5 S   CT   _CB1    10     1.53095   107.42376  -153.00264
   11    10 S   HC   HB11    11     1.09827   109.35760   -50.40128
   12    10 S   HC   HB12    12     1.09816   110.41664    66.16155
   13    10 S   CT   _CG1    13     1.53014   112.66069  -171.46705
   14    13 S   HC   HG11    14     1.09594   110.49233   -63.99254
   15    13 S   HC   HG12    15     1.09655   109.92708    55.21294
   16    13 S   C    _CD1    16     1.51833   112.31079   175.59967
   17    16 S   O    _OE1    17     1.22752   123.30026     0.10468
   18    16 S   N    _N2_    18     1.38570   111.71005  -179.97202
   19    18 S   H    _HN2    19     1.01568   118.97973     4.95820
   20    18 S   CT1  _CA2    20     1.45795   122.84749   177.99611
   21    20 S   HC   _HA2    21     1.09672   108.88365    22.25017
   22    20 S   C    _C2_    22     1.52833   107.08695   -95.03423
   23    22 S   O    _O2_    23     1.22962   122.89237   -30.20318
   24    20 S   CT   _CB2    32     1.53156   112.13078   145.49934
   25    24 S   HC   HB21    33     1.09600   110.31508    51.94330
   26    24 S   HC   HB22    34     1.09435   110.27076   171.06143
   27    22 S   N    _N3_    24     1.38558   112.45463   153.10092
   28    27 S   H    _HN3    25     1.01680   119.56575    -7.17641
   29    24 S   S    _SG2    35     1.82330   111.03424   -68.94384
   30    27 S   CT   _CA3    26     1.45386   122.59080   177.23721
   31    30 S   HC   HA31    27     1.09564   108.90924   -37.24122
   32    30 S   HC   HA32    28     1.09553   107.43819    78.95389
   33    29 S   CT   _C27    36     1.83583    99.28915   171.37484
   34    33 S   HC   _H3_    37     1.09513   105.69580   -62.24782
   35    30 S   CO3  _C3_    29     1.52616   112.40257  -160.44764
   36    35 S   O2Z  _O31    30     1.26357   115.09463   -69.27784
   37    35 S   O2Z  _O32    31     1.26304   115.27877   110.03577
   38    33 S   CT   _C19    38     1.54355   110.48756   178.87691
   39    38 S   HC   _H53    39     1.10054   108.49792   -37.35113
   40    38 S   CT   _C20    40     1.55013   110.92828  -155.02209
   41    40 S   HC   _H54    41     1.09775   107.71067   178.08828
   42    38 S   CO4  _C14   102     1.52389   112.50249    79.29592
   43    42 S   O    _O30   103     1.22359   125.09002    15.21456
   44    40 S   CT   _C18    42     1.55663   108.64322    59.53615
   45    44 S   HC   _H52    43     1.09667   109.23706  -148.28089
   46    40 S   CT   _C29    75     1.55737   112.10228   -64.02263
   47    46 S   HC   _H65    76     1.09668   109.14353    70.95515
   48    46 S   HC   _H66    77     1.09783   109.72495   -44.34351
   49    42 S   OS   _O39   104     1.36604   109.47283  -164.88432
   50    44 S   CO   _C25    44     1.55049   112.28250   -28.55797
   51    50 S   HC   _H59    45     1.09790   110.90978    89.54524
   52    44 S   CM   _C13    70     1.51540   110.17459    93.54056
   53    52 S   HC   _H46    71     1.08762   117.70253   -62.03170
   54    46 S   CT   _C17    78     1.54734   114.61497  -166.26166
   55    54 S   HC   _H51    79     1.09580   109.88597   -58.16758
   56    49 S   CT   _C28   105     1.43038   115.25105  -179.59122
   57    56 S   HC   _H62   106     1.09326   108.10215   179.98022
   58    56 S   HC   _H63   107     1.09424   110.26260    61.32256
   59    56 S   HC   _H64   108     1.09420   110.30440   -61.31280
   60    33 S   OS   _O34    46     1.43370   112.54444    52.34471
   61    50 S   OS1  _O40    47     1.43433   106.96727  -152.71489
   62    52 S   CM   _C12    72     1.33826   123.89824   117.79508
   63    62 S   HC   _H44    73     1.08466   120.48989  -179.96044
   64    62 S   HC   _H45    74     1.08454   121.60582     0.13848
   65    54 S   C5A  _C11    80     1.50251   111.76591  -177.59548
   66    61 S   CO1  _C26    48     1.43133   113.66439  -178.27614
   67    66 S   HC   _H60    49     1.09752   108.25331   -61.33413
   68    65 S   C5B  _C9_    81     1.38013   125.45244  -137.36221
   69    65 S   NA   _N28    92     1.36706   126.41345    46.28334
   70    69 S   H    _H69    93     1.01065   125.59057    -1.53417
   71    66 S   CT   _C23    50     1.53548   107.95743  -179.32507
   72    71 S   HC   _H57    51     1.09564   110.77010    58.63241
   73    68 S   C56B _C8_    82     1.42040   107.84476  -178.59556
   74    68 S   CT   _C15    94     1.48849   121.03388     1.72590
   75    74 S   HC   _H47    95     1.09676   108.94915   103.80609
   76    74 S   HC   _H48    96     1.09543   110.65513  -137.80269
   77    71 S   CT   _C21    52     1.53158   109.73646  -178.72912
   78    77 S   HC   _H55    53     1.09729   108.22702   -67.77370
   79    71 S   OH5  _O37    68     1.43168   109.17940   -57.71429
   80    79 S   HO   _H73    69     0.97341   106.85995  -162.77639
   81    73 S   CA   _C6_    83     1.40916   134.48569  -179.28045
   82    81 S   HA   _H42    84     1.08615   120.73349     0.21670
   83    74 S   CT   _C16    97     1.54372   110.06880   -16.50877
   84    83 S   HC   _H49    98     1.09558   109.18154   167.77218
   85    83 S   HC   _H50    99     1.09754   110.34257   -75.42867
   86    77 S   CT   _C22    54     1.53483   111.92295    51.99853
   87    86 S   HC   _H56    55     1.09550   109.48914  -173.79073
   88    77 S   OH5  _O35    66     1.42477   109.54731   175.73952
   89    88 S   HO   _H71    67     0.97283   107.31427  -177.94072
   90    81 S   CA   _C4_    85     1.39950   119.26988  -179.80617
   91    90 S   HA   _H40    86     1.08687   119.52530  -179.95154
   92    54 S   NT   _N29   100     1.48626   109.71094    60.53327
   93    92 S   H    _H70   101     1.02050   108.90082    48.32352
   94    86 S   CT   _C24    56     1.53693   109.14738   -52.00926
   95    94 S   HC   _H58    57     1.09651   109.78936   -62.21040
   96    86 S   OH5  _O36    64     1.42802   109.65283    69.51918
   97    96 S   HO   _H72    65     0.97179   107.86853   169.16662
   98    90 S   CA   _C5_    87     1.39326   120.75957     0.08393
   99    98 S   HA   _H41    88     1.08715   119.55610   179.96044
  100    66 S   OS1  _O33    58     1.43234   112.46674    59.21011
  101    94 S   CT   _C30    59     1.52674   112.88834   176.06831
  102   101 S   HC   _H67    60     1.09369   111.25702    46.94550
  103   101 S   HC   _H68    61     1.09470   111.48365   -75.80397
  104    98 S   CA   _C7_    89     1.39785   121.04728     0.00000
  105   104 S   HA   _H43    90     1.08492   120.90977   179.90309
  106   101 S   OH5  _O38    62     1.42591   108.79203   165.58614
  107   106 S   HO   _H74    63     0.97258   106.94419   179.09648
  108    73 S   C56A _C10    91     1.39875   106.77172     0.98873
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4  10   4   6   3  13   6   3   2   1   1   2   8   2   1   1
  13  13   6  15   9   3  12   7  12   9   5   4  13   7   4   1
   7   4   4   3   2  12   7   3   1   6   3   1   1   9   6   3
   1   4   3   4   4   3   2   2   1   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    62    46    47    48    54    55    65    92    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    66    52    53    62    63    64    46    47    48    54  
   50    51    60    61    52    53    62    46  
   47    48    54    55    65    68    69    83    92    93    50    52  
   48    54    55    65    92  
   54    55    65    92  
   56    57    58    59  
   51    60    61    66    67    71   100    52    53    62  
   60    61    66    52  
   53    62    63    64    60    61  
   62    63    64  
   55    65    68    73   108    69    70    74    83    84    85    92    93  
   65    68    69    83    92    93  
   57    58    59  
   58    59  
   59  
    0  
   61    66  
   66    67    71    72    77    94   100    79  
   63    64  
   64  
    0  
   68    73    81   104   108    69    70    74    75    76    83    92    93  
   67    71    72    77    78    86    94    95   100   101    88    79    80  
   71    72    77    94   100    79  
   73    81    82    90   104   108    69    70    74    75    76    83    84    85    92  
   70    74    92    73    81    98   104   105   108  
   73   104   108  
   72    77    78    86    87    94   100    96    88    89    79    80  
   77    78    86   100    88    79    80  
   81    82    90    91    98   104   105   108    74    75    76    83  
   75    76    83    84    85    92    93    81   108  
   76    83    84    85    92  
   83    84    85    92  
   78    86    87    94    95   100   101    96    97    88    89    79    80  
   86    87    94    96    88    89    79  
   80    86    88   100  
    0  
   82    90    91    98    99   104   108  
   90    91    98   108  
   84    85    92    93  
   85    92    93  
   92    93  
   87    94    95   100   101   102   103   106    96    97    88    89  
   94    95   100   101    96    97    88  
   89    94    96  
    0  
   91    98    99   104   105   108  
   98    99   104  
   93  
    0  
   95   100   101   102   103   106   107    96    97  
  100   101   102   103   106    96  
   97   100   101  
    0  
   99   104   105   108  
  104   105   108  
  101   102   103   106  
  102   103   106   107  
  103   106   107  
  106   107  
  105   108  
  108  
  107  
    0  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  105   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   320.000  1.380
   61    66   370.000  1.399
   66    67   360.000  1.097
   66    71   255.000  1.525
   66   100   370.000  1.399
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    79   355.000  1.421
   77    78   340.000  1.090
   77    86   268.000  1.529
   77    88   355.000  1.421
   86    87   340.000  1.090
   86    94   268.000  1.529
   86    96   355.000  1.421
   94    95   340.000  1.090
   94   100   335.000  1.422
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   106   355.000  1.421
  106   107   580.000  0.967
   96    97   580.000  0.967
   88    89   580.000  0.967
   79    80   580.000  0.967
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   295.000  1.489
   54    92   382.000  1.448
   65    68   520.000  1.370
   65    69   427.000  1.381
   68    73   380.000  1.440
   68    74   295.000  1.494
   73    81   469.000  1.404
   73   108   447.000  1.419
   81    82   367.000  1.080
   81    90   469.000  1.400
   90    91   367.000  1.080
   90    98   469.000  1.400
   98    99   367.000  1.080
   98   104   469.000  1.400
  104   105   367.000  1.080
  104   108   469.000  1.400
  108    69   428.000  1.380
   69    70   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   382.000  1.448
   92    93   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  108.56700
   44    52    53    35.00000  117.00000
   44    52    62    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    66    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    35.00000  109.50000
   61    50    60    92.60000  111.55000
   61    66    67    60.00000  105.75400
   61    66    71    90.00000  109.70700
   61    66   100   110.00000  113.16000
   66    71    72    45.00000  109.54000
   66    71    77    70.00000  111.10000
   66    71    79    90.00000  109.42000
   66   100    94    90.00000  112.10700
   71    66    67    45.00000  111.65000
   71    77    78    37.50000  110.70000
   71    77    86    58.35000  112.70000
   71    77    88    90.00000  111.45300
   71    79    80    65.00000  108.53500
   77    71    72    37.50000  110.70000
   77    86    87    37.50000  110.70000
   77    86    94    58.35000  112.70000
   77    86    96    90.00000  111.45300
   77    88    89    65.00000  108.53500
   86    77    78    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94   100    95.00000  107.88500
   86    94   101    58.35000  112.70000
   86    96    97    65.00000  108.53500
   94    86    87    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   106    90.00000  111.45300
  100    66    67    60.00000  105.75400
  100    66    71    90.00000  109.70700
  100    94    95    55.00000  108.98800
  101    94    95    37.50000  110.70000
  101    94   100    95.00000  107.88500
  101   106   107    65.00000  108.53500
  103   101   102    33.00000  107.80000
  106   101   102    60.00000  109.39000
  106   101   103    60.00000  109.39000
   96    86    87    60.00000  109.39000
   96    86    94    90.00000  111.45300
   88    77    78    60.00000  109.39000
   88    77    86    90.00000  111.45300
   79    71    72    60.00000  109.39000
   79    71    77    90.00000  111.45300
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    62    63    35.00000  120.00000
   52    62    64    35.00000  120.00000
   62    52    53    35.00000  120.00000
   64    62    63    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    65    70.00000  113.44400
   46    54    92    56.20000  109.47000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    65    68    55.00000  130.44200
   54    65    69    65.00000  122.56900
   54    92    83    51.80000  107.20000
   54    92    93    35.00000  109.50000
   65    54    55    45.00000  110.47400
   65    68    73    80.00000  105.82900
   65    68    74    55.00000  127.77900
   65    69   108    90.00000  107.14200
   65    69    70    35.00000  120.00000
   68    73    81    50.00000  134.85500
   68    73   108    80.00000  107.43600
   68    74    75    45.00000  111.11700
   68    74    76    45.00000  111.11700
   68    74    83    70.00000  112.62400
   73    81    82    35.00000  120.00000
   73    81    90    63.00000  120.00000
   73   108   104    85.00000  122.70000
   73   108    69    70.00000  104.40000
   81    90    91    35.00000  120.00000
   81    90    98    63.00000  120.00000
   90    81    82    35.00000  120.00000
   90    98    99    35.00000  120.00000
   90    98   104    63.00000  120.00000
   98    90    91    35.00000  120.00000
   98   104   105    35.00000  120.00000
   98   104   108    85.00000  120.00000
  104    98    99    35.00000  120.00000
  104   108    69    70.00000  132.80000
  108    73    81    85.00000  116.20000
  108   104   105    35.00000  120.00000
  108    69    70    35.00000  123.10000
   69    65    68    70.00000  106.30000
   74    68    73    55.00000  128.73000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    92    56.20000  109.47000
   76    74    75    33.00000  107.80000
   83    74    75    37.50000  110.70000
   83    74    76    37.50000  110.70000
   83    92    93    35.00000  109.50000
   85    83    84    33.00000  107.80000
   92    54    55    35.00000  109.50000
   92    54    65    75.00000  112.58000
   92    83    84    35.00000  109.50000
   92    83    85    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   44    53    52    62  15.00000 -1.0 2.0
   63    64    62    52  15.00000 -1.0 2.0
   68    69    65    54   4.00000 -1.0 2.0
   73    74    68    65   4.00000 -1.0 2.0
   81   108    73    68   4.00000 -1.0 2.0
   90    82    81    73   1.10000 -1.0 2.0
   98    91    90    81   1.10000 -1.0 2.0
  104    99    98    90   1.10000 -1.0 2.0
  108   105   104    98   1.10000 -1.0 2.0
  104    69   108    73   4.00000 -1.0 2.0
   70    65    69   108   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
