* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    203    333     605
    1     0 S   NP   _N1_     1    29.43284    94.38961   -27.40909
    2     1 S   H    _HN1     2     1.02796   125.82624  -113.36691
    3     1 S   H    _H1_     3     1.02947    88.34639    -1.77332
    4     1 S   H    _H2_     4     1.02826    21.79481  -151.60195
    5     1 S   CT   _CA1     5     1.50133   108.74148   109.25789
    6     5 S   HC   _HA1     6     1.09574   105.15481    82.32011
    7     5 S   CO3  _C1_     7     1.53763   112.44212   -37.87412
    8     7 S   O2Z  _O11     8     1.26378   115.00148   -42.90700
    9     7 S   O2Z  _O12     9     1.26233   114.94073   136.04944
   10     5 S   CT   _CB1    10     1.53053   107.39999  -159.73051
   11    10 S   HC   HB11    11     1.09843   109.31477   -49.38247
   12    10 S   HC   HB12    12     1.09810   110.48595    67.20504
   13    10 S   CT   _CG1    13     1.53027   112.64891  -170.31223
   14    13 S   HC   HG11    14     1.09568   110.74083   -67.61554
   15    13 S   HC   HG12    15     1.09669   109.69262    51.63797
   16    13 S   C    _CD1    16     1.51817   111.94200   172.11395
   17    16 S   O    _OE1    17     1.22763   123.15287    12.93164
   18    16 S   N    _N2_    18     1.38637   111.87168  -167.03157
   19    18 S   H    _HN2    19     1.01573   119.01190     0.81373
   20    18 S   CT1  _CA2    20     1.46238   123.38987   176.48164
   21    20 S   HC   _HA2    21     1.09738   109.25447     8.47753
   22    20 S   C    _C2_    22     1.53696   108.84979  -107.06002
   23    22 S   O    _O2_    23     1.23086   122.25517  -148.42101
   24    20 S   CT   _CB2    32     1.53290   111.67881   130.45517
   25    24 S   HC   HB21    33     1.09598   110.14565    56.89194
   26    24 S   HC   HB22    34     1.09467   110.10991   175.93909
   27    22 S   N    _N3_    24     1.38322   113.89209    39.05088
   28    27 S   H    _HN3    25     1.01535   119.62452    -3.06816
   29    24 S   S    _SG2    35     1.82598   111.66108   -63.85134
   30    27 S   CT   _CA3    26     1.45278   123.28699   177.27057
   31    30 S   HC   HA31    27     1.09547   107.49530   -65.25975
   32    30 S   HC   HA32    28     1.09556   108.01873    51.20253
   33    29 S   CT   _C13    36     1.87621    99.21674  -178.87848
   34    33 S   HC   _H9_    37     1.09646   106.19077   -12.43210
   35    30 S   CO3  _C3_    29     1.52979   114.04292   173.21661
   36    35 S   O2Z  _O31    30     1.26385   116.08766    -0.50397
   37    35 S   O2Z  _O32    31     1.26426   114.41456   179.55501
   38    33 S   CT   _C14    38     1.56915   110.59901  -133.55730
   39    38 S   OM   _O36    39     1.32964   107.11051    65.21674
   40    38 S   HC   _H10    40     1.10242   105.99592   -62.46900
   41    38 S   CT   _C15    41     1.59619   110.01953  -175.62149
   42    41 S   CM   _C16    42     1.55660   116.62064   175.63767
   43    41 S   CT   _C10    55     1.58925   107.17614    59.68970
   44    43 S   HC   _H7_    56     1.09984   107.76510    68.77902
   45    41 S   CT   _C19    99     1.57286   109.56155   -65.00189
   46    45 S   HC   _H20   100     1.09225   112.80482    55.22707
   47    45 S   HC   _H21   101     1.09729   111.25786   -65.04147
   48    45 S   HC   _H22   102     1.09344   113.76494   176.83987
   49    42 S   CM   _C17    43     1.34383   126.29729     9.71100
   50    49 S   HC   _H19    44     1.08136   123.90091    -5.11251
   51    43 S   CT   _C11    57     1.53207   115.85350   -54.91172
   52    49 S   CO4  _C18    45     1.47932   119.96750   173.51572
   53    52 S   O    _O34    46     1.22666   120.44001   165.10474
   54    51 S   CO4  _C20    58     1.52044    99.54537   -82.70655
   55    54 S   O    _O38    59     1.22074   126.58192   155.17301
   56    33 S   CT   _C12    61     1.53805   106.76838   104.04302
   57    56 S   HC   _H8_    62     1.09957   106.95462    47.90688
   58    51 S   CT   _C21    65     1.55343   112.42251   166.04857
   59    58 S   HC   _H24    66     1.09570   110.85331   -57.45897
   60    58 S   HC   _H25    67     1.09646   111.03378  -177.30122
   61    58 S   HC   _H26    68     1.09471   113.36529    63.89738
   62    52 S   OS   _O35    47     1.36245   117.54274   -16.66910
   63    78 S   OS   _O39    60     1.43940   112.62129  -119.99219
   64    56 S   OH   _O37    63     1.43166   110.37822   -66.50378
   65    64 S   HO   _H23    64     0.97340   107.80829   -65.69872
   66    62 S   CT   _C6_    48     1.45913   121.94500    -1.08697
   67    66 S   HC   _H4_    49     1.09896   106.74404   -80.35643
   68    42 S   C3T  _C7_    50     1.48344   115.78474  -172.16714
   69    66 S   CT   _C5_    70     1.54302   108.78941   163.81123
   70    69 S   HC   _H3_    71     1.09640   109.41329  -175.91007
   71    68 S   C3T  _C8_    51     1.52057   117.82851    17.60300
   72    71 S   HC   _H5_    52     1.07947   121.17355  -143.42723
   73    69 S   CT   _C4_    72     1.53045   110.41452    64.54205
   74    73 S   HC   _H16    73     1.09543   111.30044   -64.58036
   75    73 S   HC   _H17    74     1.09427   110.95355   177.12234
   76    73 S   HC   _H18    75     1.09440   111.23024    56.92608
   77    69 S   OS1  _O40    76     1.43286   109.45920   -53.86627
   78    71 S   CT   _C9_    53     1.49323   121.20838    13.90020
   79    78 S   HC   _H6_    54     1.09618   107.26977   122.31140
   80    68 S   O3T  _O33    69     1.43772   121.38114    85.15742
   81    77 S   CO1  _C22    77     1.43350   113.92068  -138.58956
   82    81 S   HC   _H11    78     1.09804   108.20825    54.77399
   83    81 S   CT   _C23    79     1.53437   107.34744   173.49706
   84    83 S   HC   _H12    80     1.09679   109.95128    53.93928
   85    83 S   CT   _C24    81     1.53081   111.11265   175.76566
   86    85 S   HC   _H13    82     1.09670   110.18441    73.60915
   87    83 S   OH5  _O45    97     1.42908   110.31178   -62.93433
   88    87 S   HO   _H32    98     0.97223   108.29578   -53.72225
   89    85 S   CT   _C25    83     1.53203   111.34821   -49.09499
   90    89 S   HC   _H14    84     1.09705   109.04613   -71.49623
   91    85 S   OH5  _O44    95     1.42951   109.68593  -170.51007
   92    91 S   HO   _H31    96     0.97240   108.13579    60.06244
   93    89 S   CT   _C26    85     1.53222   110.68366    49.72879
   94    93 S   HC   _H15    86     1.09836   110.93554    64.30574
   95    89 S   OH5  _O43    93     1.42595   109.71622   171.65896
   96    95 S   HO   _H30    94     0.97253   108.21835   -57.57355
   97    81 S   OS1  _O41    87     1.42694   111.46669   -66.30013
   98    93 S   CT   _C27    88     1.52962   111.58751  -174.87826
   99    98 S   HC   _H27    89     1.09501   111.01298    69.39811
  100    98 S   HC   _H28    90     1.09396   111.56876   -53.04037
  101    98 S   OH5  _O42    91     1.42518   108.99974  -171.97838
  102   101 S   HO   _H29    92     0.97245   106.99958  -178.31437
  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
  15   8   2   1   1  17   6   5  21  20  23   9   7   2   1   1
   8   4  14   6   2  12   4   9   3   6   2   1   1   9   6   1
   1  14   7   9  12   6   4   3   5   3   2   1   8   2   1   1
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    41    51    56    57    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    51    54    56    57    64    65    58    45  
   38    39    40    41    51    56    57    64  
   36    37  
   37  
    0  
   39    40    41    42    49    68    78    43    44    51    56    57    64    45    46    47    48  
   40    41    42    43    56    45  
   41    42    43    56    45  
   42    49    50    52    66    68    71    78    79    43    44    51    54    63    56    58    80    45    46    47    48  
   49    50    52    53    62    66    67    68    71    72    78    43    44    51    80    69    45    46    47    48  
   44    51    54    55    63    56    57    64    58    59    60    61    80    45    46    47    48    49    68    71    72    78    79  
   51    54    63    56    58    45    71    78    79  
   46    47    48    49    51    68    78  
   47    48  
   48  
    0  
   50    52    53    62    66    68    71    80  
   52    53    62    68  
   54    55    63    56    57    64    65    58    59    60    61    71    78    79  
   53    62    66    67    68    69  
   62    66  
   55    63    56    57    64    58    59    60    61    71    78    79  
   63    56    58    78  
   57    64    65    58    59    60    61    63    78  
   64    65    58  
   59    60    61    63    64    78  
   60    61  
   61  
    0  
   66    67    68    71    80    69    70    73    77  
   80    68    71    72    78    79  
   65  
    0  
   67    68    71    72    78    80    69    70    73    74    75    76    77    81  
   68    71    80    69    70    73    77  
   71    72    78    79    80    69    70    73    77  
   70    73    74    75    76    77    81    82    83    97    71    80  
   73    74    75    76    77    81  
   72    78    79    80  
   78    79    80  
   74    75    76    77    81  
   75    76    77  
   76    77  
   77  
   81    82    83    84    85    93    97    87  
   79    80  
   80  
    0  
   82    83    84    85    86    89    93    94    97    98    91    87    88  
   83    84    85    93    97    87  
   84    85    86    89    90    93    97    95    91    92    87    88  
   85    86    89    97    91    87    88  
   86    89    90    93    94    97    98    95    96    91    92    87    88  
   89    90    93    95    91    92    87  
   88    89    91    97  
    0  
   90    93    94    97    98    99   100   101    95    96    91    92  
   93    94    97    98    95    96    91  
   92    93    95  
    0  
   94    97    98    99   100   101   102    95    96  
   97    98    99   100   101    95  
   96    97    98  
    0  
   98    99   100   101  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   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   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    49   549.000  1.340
   42    68   305.000  1.480
   49    50   340.000  1.080
   49    52   320.000  1.462
   52    53   570.000  1.229
   52    62   214.000  1.327
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   275.000  1.510
   66    69   268.000  1.529
   68    71   260.000  1.509
   68    80   335.000  1.432
   71    72   340.000  1.088
   71    78   275.000  1.510
   71    80   335.000  1.432
   78    79   340.000  1.090
   78    43   268.000  1.529
   78    63   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    54   317.000  1.522
   51    56   268.000  1.529
   51    58   268.000  1.529
   54    55   570.000  1.229
   54    63   214.000  1.327
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    65   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    77   335.000  1.422
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    81   370.000  1.399
   81    82   360.000  1.097
   81    83   255.000  1.525
   81    97   370.000  1.399
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   355.000  1.421
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   355.000  1.421
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   355.000  1.421
   93    94   340.000  1.090
   93    97   335.000  1.422
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   355.000  1.421
  101   102   580.000  0.967
   95    96   580.000  0.967
   91    92   580.000  0.967
   87    88   580.000  0.967
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    56    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    51    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.02700
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    49    70.00000  124.00000
   41    42    68    65.00000  117.92700
   41    43    78    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    51    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    50    35.00000  120.00000
   42    49    52    65.00000  118.96000
   42    68    66    65.00000  117.55000
   42    68    71    60.00000  120.58800
   42    68    80    85.00000  114.23300
   49    52    53    80.00000  123.72100
   49    52    62    90.00000  111.29400
   52    49    50    40.00000  117.72500
   52    62    66    83.00000  116.90000
   62    52    53    83.00000  123.40000
   62    66    67    35.00000  109.50000
   62    66    68    50.00000  109.50000
   62    66    69    50.00000  109.50000
   66    68    71    60.00000  120.94000
   66    68    80    80.00000  116.47100
   66    69    70    37.50000  110.70000
   66    69    73    58.35000  112.70000
   66    69    77    95.00000  107.88500
   68    42    49    55.00000  125.06700
   68    66    67    45.00000  109.38400
   68    71    72    37.50000  117.20000
   68    71    78    60.00000  120.94000
   68    71    80    15.00000   60.43100
   68    80    71    15.00000   59.14900
   71    78    79    45.00000  109.38400
   71    78    43    70.00000  112.37300
   71    78    63    50.00000  109.50000
   78    71    72    40.00000  115.04500
   78    43    44    37.50000  110.70000
   78    43    51    58.35000  112.70000
   78    63    54    83.00000  116.90000
   43    41    42    70.00000  112.02700
   43    78    79    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    51    56    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    63    81.00000  111.40000
   51    56    57    37.50000  110.70000
   51    56    64    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   63    78    79    35.00000  109.50000
   63    78    43    50.00000  109.50000
   63    54    55    83.00000  123.40000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    51    54    63.00000  111.10000
   56    64    65    55.00000  108.50000
   64    56    57    35.00000  109.50000
   58    51    54    63.00000  111.10000
   58    51    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   80    68    71    15.00000   60.43100
   80    71    72    50.00000  114.27700
   80    71    78    80.00000  116.47100
   69    66    67    37.50000  110.70000
   69    66    68    70.00000  112.37300
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   69    77    81    90.00000  112.10700
   73    69    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    70    55.00000  108.98800
   77    69    73    95.00000  107.88500
   77    81    82    60.00000  105.75400
   77    81    83    90.00000  109.70700
   77    81    97   110.00000  113.16000
   81    83    84    45.00000  109.54000
   81    83    85    70.00000  111.10000
   81    83    87    90.00000  109.42000
   81    97    93    90.00000  112.10700
   83    81    82    45.00000  111.65000
   83    85    86    37.50000  110.70000
   83    85    89    58.35000  112.70000
   83    85    91    90.00000  111.45300
   83    87    88    65.00000  108.53500
   85    83    84    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    95    90.00000  111.45300
   85    91    92    65.00000  108.53500
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    95.00000  107.88500
   89    93    98    58.35000  112.70000
   89    95    96    65.00000  108.53500
   93    89    90    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    90.00000  111.45300
   97    81    82    60.00000  105.75400
   97    81    83    90.00000  109.70700
   97    93    94    55.00000  108.98800
   98    93    94    37.50000  110.70000
   98    93    97    95.00000  107.88500
   98   101   102    65.00000  108.53500
  100    98    99    33.00000  107.80000
  101    98    99    60.00000  109.39000
  101    98   100    60.00000  109.39000
   95    89    90    60.00000  109.39000
   95    89    93    90.00000  111.45300
   91    85    86    60.00000  109.39000
   91    85    89    90.00000  111.45300
   87    83    84    60.00000  109.39000
   87    83    85    90.00000  111.45300
   45    41    42    70.00000  112.02700
   45    41    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
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   82    81    83    85   0.15000  1.0 3.0
   82    81    83    87   0.23400  1.0 3.0
   82    81    97    93   0.37050  1.0 3.0
   83    81    97    93   0.06250  1.0 1.0
   83    81    97    93  -0.01100 -1.0 2.0
   83    81    97    93   0.28050  1.0 3.0
   83    85    89    90   0.15000  1.0 3.0
   83    85   -89    93   0.56750  1.0 1.0
   83    85   -89    93  -0.07550 -1.0 2.0
   83    85   -89    93   0.20000  1.0 3.0
   83    85    89    95  -0.47750  1.0 1.0
   83    85    91    92   0.29150  1.0 1.0
   83    85    91    92  -0.28350 -1.0 2.0
   83    85    91    92   0.43600  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    89   0.15000  1.0 3.0
   84    83    85    91   0.23400  1.0 3.0
   84    83    87    88   0.19450  1.0 3.0
   85    83    87    88   0.29150  1.0 1.0
   85    83    87    88  -0.28350 -1.0 2.0
   85    83    87    88   0.43600  1.0 3.0
   85    89    93    94   0.15000  1.0 3.0
   85    89    93    97   0.62750  1.0 1.0
   85    89    93    97  -0.30950 -1.0 2.0
   85    89    93    97   0.27300  1.0 3.0
   85    89    93    98   0.56750  1.0 1.0
   85    89    93    98  -0.07550 -1.0 2.0
   85    89    93    98   0.20000  1.0 3.0
   85    89    95    96   0.29150  1.0 1.0
   85    89    95    96  -0.28350 -1.0 2.0
   85    89    95    96   0.43600  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    93   0.15000  1.0 3.0
   86    85    89    95   0.23400  1.0 3.0
   86    85    91    92   0.19450  1.0 3.0
   89    85    91    92   0.29150  1.0 1.0
   89    85    91    92  -0.28350 -1.0 2.0
   89    85    91    92   0.43600  1.0 3.0
   89    93   -97    81   0.06250  1.0 1.0
   89    93   -97    81  -0.01100 -1.0 2.0
   89    93   -97    81   0.28050  1.0 3.0
   89    93    98    99   0.15000  1.0 3.0
   89    93    98   100   0.15000  1.0 3.0
   89    93    98   101  -0.47750  1.0 1.0
   90    89    93    94   0.15000  1.0 3.0
   90    89    93    97   0.23400  1.0 3.0
   90    89    93    98   0.15000  1.0 3.0
   90    89    95    96   0.19450  1.0 3.0
   93    89    95    96   0.29150  1.0 1.0
   93    89    95    96  -0.28350 -1.0 2.0
   93    89    95    96   0.43600  1.0 3.0
   93    98   101   102   0.29150  1.0 1.0
   93    98   101   102  -0.28350 -1.0 2.0
   93    98   101   102   0.43600  1.0 3.0
   94    93    97    81   0.37050  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.23400  1.0 3.0
   97    81    83    84   0.23400  1.0 3.0
   97    81   -83    85   0.62750  1.0 1.0
   97    81   -83    85  -0.30950 -1.0 2.0
   97    81   -83    85   0.27300  1.0 3.0
   97    81    83    87   1.51850  1.0 1.0
   97    93    98    99   0.23400  1.0 3.0
   97    93    98   100   0.23400  1.0 3.0
   97    93    98   101   1.51850  1.0 1.0
   98    93    97    81   0.06250  1.0 1.0
   98    93    97    81  -0.01100 -1.0 2.0
   98    93    97    81   0.28050  1.0 3.0
   99    98   101   102   0.19450  1.0 3.0
  100    98   101   102   0.19450  1.0 3.0
   95    89    93    94   0.23400  1.0 3.0
   95    89    93    97   1.51850  1.0 1.0
   95    89    93    98  -0.47750  1.0 1.0
   91    85    89    90   0.23400  1.0 3.0
   91    85    89    93  -0.47750  1.0 1.0
   91    85    89    95   3.77950  1.0 1.0
   87    83    85    86   0.23400  1.0 3.0
   87    83    85    89  -0.47750  1.0 1.0
   87    83    85    91   3.77950  1.0 1.0
   45    41    42    49   0.09850  1.0 1.0
   45    41    42    49   0.15250 -1.0 2.0
   45    41    42    49  -0.50650  1.0 3.0
   45    41    42    68   0.46850  1.0 1.0
   45    41    42    68   0.08550 -1.0 2.0
   45    41    42    68   0.09800  1.0 3.0
   45    41    43    78   0.56750  1.0 1.0
   45    41    43    78  -0.07550 -1.0 2.0
   45    41    43    78   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    51   0.56750  1.0 1.0
   45    41    43    51  -0.07550 -1.0 2.0
   45    41    43    51   0.20000  1.0 3.0
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
   41    68    42    49   1.10000 -1.0 2.0
   52    50    49    42   1.10000 -1.0 2.0
   49    62    52    53  10.50000 -1.0 2.0
   51    63    54    55  10.50000 -1.0 2.0
END
