* LIGAND DATABASE FILE (OPLS2005)
*
001     103   105    196    299     578
    1     0 S   NP   _N1_     1    28.54762    94.82599   -22.71816
    2     1 S   H    _HN1     2     1.02776    97.75478   -70.27490
    3     1 S   H    _H1_     3     1.02961    83.35622    37.41181
    4     1 S   H    _H2_     4     1.02834    30.92496   177.59247
    5     1 S   CT   _CA1     5     1.50125   139.55691   151.21356
    6     5 S   HC   _HA1     6     1.09576   105.21838    73.23586
    7     5 S   CO3  _C1_     7     1.53783   112.44367   -46.93559
    8     7 S   O2Z  _O11     8     1.26356   114.99892   -42.39645
    9     7 S   O2Z  _O12     9     1.26244   114.93150   136.78652
   10     5 S   CT   _CB1    10     1.53097   107.42045  -168.86067
   11    10 S   HC   HB11    11     1.09824   109.29121   -50.87675
   12    10 S   HC   HB12    12     1.09819   110.42033    65.66535
   13    10 S   CT   _CG1    13     1.53001   112.69769  -172.00120
   14    13 S   HC   HG11    14     1.09599   110.42519   -64.58173
   15    13 S   HC   HG12    15     1.09655   109.98484    54.63971
   16    13 S   C    _CD1    16     1.51817   112.36381   174.96371
   17    16 S   O    _OE1    17     1.22718   123.28731    -2.05176
   18    16 S   N    _N2_    18     1.38633   111.59823   178.20387
   19    18 S   H    _HN2    19     1.01584   118.99266     1.11820
   20    18 S   CT1  _CA2    20     1.46186   123.40344   179.84934
   21    20 S   HC   _HA2    21     1.09740   109.43863    -7.99738
   22    20 S   C    _C2_    22     1.53463   108.34619  -123.57729
   23    22 S   O    _O2_    23     1.23021   122.19750  -145.51585
   24    20 S   CT   _CB2    32     1.53521   111.46677   114.12219
   25    24 S   HC   HB21    33     1.09365   109.51349    56.08707
   26    24 S   HC   HB22    34     1.09442   109.68285   174.58677
   27    22 S   N    _N3_    24     1.38495   113.42873    41.83419
   28    27 S   H    _HN3    25     1.01515   118.94100    -0.63888
   29    24 S   S    _SG2    35     1.83029   111.25949   -66.34841
   30    27 S   CT   _CA3    26     1.45455   123.49369   175.06588
   31    30 S   HC   HA31    27     1.09519   109.29974    23.26868
   32    30 S   HC   HA32    28     1.09497   107.10956   140.29211
   33    29 S   CT   _C20    36     1.90411   102.79143   164.63639
   34    30 S   CO3  _C3_    29     1.52924   113.05938  -100.24463
   35    34 S   O2Z  _O31    30     1.26405   115.38540   -44.66004
   36    34 S   O2Z  _O32    31     1.26352   114.99096   136.24587
   37    33 S   CT   _C19    37     1.53731   112.36900    44.24808
   38    37 S   HC   _H7_    38     1.09302   113.50827   -53.55029
   39    33 S   CT   _C21    99     1.54171   103.66919   -76.51849
   40    39 S   HC   _H23   100     1.09238   112.68471   167.23398
   41    39 S   HC   _H24   101     1.09518   111.75932    50.71550
   42    37 S   CT   _C18    39     1.53469   103.96788    66.76420
   43    42 S   HC   _H6_    40     1.09590   109.62019   -84.92462
   44    37 S   OS   _O36    55     1.43219   108.92251  -170.27435
   45    39 S   OH   _O35   102     1.42166   111.53928   -69.56942
   46    45 S   HO   _H25   103     0.97244   107.24692   178.44745
   47    42 S   CT   _C17    41     1.54484   105.09233    33.69730
   48    47 S   HC   _H5_    42     1.08705   111.11950   121.38235
   49    42 S   OH   _O37    97     1.41664   112.46790   156.91931
   50    49 S   HO   _H26    98     0.97383   107.21384  -177.36374
   51    33 S   CT   _C16    43     1.61555   112.02619   152.73942
   52    47 S   OS   _O38    90     1.44603   109.90761  -121.16112
   53    51 S   CT   _C8_    44     1.63745   112.47045   176.45138
   54    51 S   CT   _C24    86     1.54206   113.36819    48.73566
   55    54 S   HC   _H30    87     1.09252   112.08794    71.38394
   56    54 S   HC   _H31    88     1.09301   113.19170   -48.99641
   57    54 S   HC   _H32    89     1.09262   111.46889  -167.12646
   58    52 S   CO4  _C22    91     1.36293   117.09795   -74.80521
   59    58 S   O    _O39    92     1.22340   126.20248     0.60974
   60    53 S   CT   _C9_    45     1.56905   112.70380   -74.69449
   61    60 S   HC   _H12    46     1.08164   111.06747    49.48587
   62    60 S   HC   _H13    47     1.09535   109.94145   -66.32085
   63    53 S   CT   _C25    76     1.58425   113.13359   166.19190
   64    63 S   HC   _H33    77     1.09131   112.76553   -55.77373
   65    63 S   HC   _H34    78     1.09566   110.44875  -172.63819
   66    58 S   CT   _C23    93     1.49792   109.52289  -179.82868
   67    66 S   HC   _H27    94     1.09291   109.79064   -62.02667
   68    66 S   HC   _H28    95     1.09373   109.36465   178.84682
   69    66 S   HC   _H29    96     1.09294   109.83499    59.84919
   70    60 S   CT   _C10    48     1.54301   115.94441   169.40619
   71    70 S   HC   _H4_    49     1.09880   107.93873  -157.04302
   72    63 S   OS   _O40    79     1.43550   111.76089    67.12803
   73    70 S   CM   _C5_    50     1.50650   113.59931   -37.50627
   74    70 S   OS   _O33    60     1.44357   111.28876    84.05987
   75    72 S   CO4  _C26    80     1.36191   116.10740  -179.70725
   76    75 S   O    _O41    81     1.22309   126.30514    -0.00000
   77    73 S   CM   _C6_    51     1.34268   122.59148    12.12104
   78    77 S   HC   _H11    52     1.08847   119.05215  -178.99070
   79    73 S   CT   _C4_    56     1.50329   116.12278  -167.32135
   80    79 S   HC   _H8_    57     1.09470   110.48016   -60.99647
   81    79 S   HC   _H9_    58     1.09513   112.20164   178.92954
   82    79 S   HC   _H10    59     1.09483   110.27218    58.98353
   83    74 S   CO4  _C11    61     1.36544   117.65554    79.69263
   84    83 S   O    _O34    62     1.22237   125.79641    -0.88093
   85    75 S   CT   _C27    82     1.49833   109.49055   179.84051
   86    85 S   HC   _H35    83     1.09273   109.76881   -64.93918
   87    85 S   HC   _H36    84     1.09372   109.35998   175.73534
   88    85 S   HC   _H37    85     1.09307   109.89214    56.91223
   89    53 S   CT   _C7_    53     1.56436   108.50569    48.58097
   90    89 S   HC   _H3_    54     1.09638   108.45291    85.99302
   91    83 S   CT   _C12    63     1.51414   108.63041   179.10649
   92    91 S   HC   _H14    64     1.09609   108.47742   -62.25813
   93    91 S   HC   _H15    65     1.09609   106.81011    54.28951
   94    91 S   CT   _C13    66     1.53662   113.35801   174.63443
   95    94 S   HC   _H16    67     1.09735   109.48342   -43.12927
   96    94 S   CT   _C14    68     1.53085   111.44050    76.63525
   97    96 S   HC   _H17    69     1.09547   111.25318    60.63639
   98    96 S   HC   _H18    70     1.09535   110.63519  -179.49448
   99    96 S   HC   _H19    71     1.09408   111.50089   -59.88799
  100    94 S   CT   _C15    72     1.53021   110.08120  -161.50496
  101   100 S   HC   _H20    73     1.09538   111.28969   -60.18904
  102   100 S   HC   _H21    74     1.09525   110.80752    60.06623
  103   100 S   HC   _H22    75     1.09518   110.83128   179.51867
  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  13   5   4   3
  23   2   1   1  19   8  10   4   3  12   7  11   2   1  16   6
   3   1  18   8  20   6   2   1   1   5   4  15   7   6  10   4
   3   3   2   1   1  13   5   7  10   8   5   4   7   3   4   2
   1   1   8   4   3   2   1   1   1   1  12   5   4   9   8   7
   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    51    53    44    54    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    51    53    60    89    44    63    54    55    56    57    52    49    39    40    41    45    46  
   35    36  
   36  
    0  
   38    42    43    47    48    51    53    77    89    90    44    54    52    49    50    39    40    41    45  
   42    43    47    51    89    44    49    39  
   40    41    45    46    42    44    47    51    53    54  
   41    45    46    51  
   45    46    51  
   43    47    48    51    53    89    44    54    52    58    49    50  
   47    48    51    44    52    49    50  
   63    49    47    51    53    60    73    77    78    89    90  
   46    51  
    0  
   48    51    53    60    89    63    54    55    56    57    52    58    59    66    49    50  
   51    53    54    52    58    49  
   50    51    52  
    0  
   53    60    61    62    70    77    89    90    63    64    65    72    54    55    56    57    52    58  
   58    59    66    67    68    69    53    54  
   60    61    62    70    71    73    77    78    89    90    74    63    64    65    72    75    54    55    56    57  
   55    56    57    60    63    89  
   56    57  
   57  
    0  
   59    66    67    68    69  
   66    67    68    69  
   61    62    70    71    73    77    89    90    79    74    83    63    64    65    72  
   62    70    71    73    89    74    63  
   70    71    73    89    74    63  
   64    65    72    75    76    85    70    77    89    90  
   65    72    75    89  
   72    75    89  
   67    68    69  
   68    69  
   69  
    0  
   71    73    77    78    89    79    80    81    82    74    83    84    91  
   73    77    79    74    83  
   75    76    85    86    87    88    89  
   77    78    89    90    79    80    81    82    74    83  
   83    84    91    92    93    94    77    79  
   76    85    86    87    88  
   85    86    87    88  
   78    89    90    79    80    81    82  
   89    90    79  
   80    81    82    89  
   81    82  
   82  
    0  
   84    91    92    93    94    95    96   100  
   91    92    93    94  
   86    87    88  
   87    88  
   88  
    0  
   90  
    0  
   92    93    94    95    96    97    98    99   100   101   102   103  
   93    94    95    96   100  
   94    95    96   100  
   95    96    97    98    99   100   101   102   103  
   96    97    98    99   100   101   102   103  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100  
  101   102   103  
  102   103  
  103  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    44   320.000  1.410
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    52   320.000  1.410
   51    53   268.000  1.529
   51    54   268.000  1.529
   53    60   268.000  1.529
   53    89   268.000  1.529
   53    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   268.000  1.529
   70    71   340.000  1.090
   70    73   317.000  1.510
   70    74   320.000  1.410
   73    77   549.000  1.340
   73    79   317.000  1.510
   77    78   340.000  1.080
   77    89   317.000  1.510
   89    90   340.000  1.090
   89    44   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   74    83   214.000  1.327
   83    84   570.000  1.229
   83    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   268.000  1.529
   94   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   320.000  1.410
   72    75   214.000  1.327
   75    76   570.000  1.229
   75    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   52    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    44    50.00000  109.50000
   33    51    47    58.35000  112.70000
   33    51    53    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    42    49    50.00000  109.50000
   37    44    89    60.00000  109.50000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    51    58.35000  112.70000
   42    47    52    50.00000  109.50000
   42    49    50    55.00000  108.50000
   47    42    43    37.50000  110.70000
   47    51    53    58.35000  112.70000
   47    51    54    58.35000  112.70000
   47    52    58    83.00000  116.90000
   51    33    37    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    53    89    58.35000  112.70000
   51    53    63    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    58.35000  112.70000
   53    89    77    70.00000  112.02700
   53    89    90    37.50000  110.70000
   53    89    44    50.00000  109.50000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    72    50.00000  109.50000
   60    70    71    37.50000  110.70000
   60    70    73    70.00000  112.02700
   60    70    74    50.00000  109.50000
   62    60    61    33.00000  107.80000
   70    60    61    37.50000  110.70000
   70    60    62    37.50000  110.70000
   70    73    77    70.00000  124.00000
   70    73    79    65.00000  117.92700
   70    74    83    83.00000  116.90000
   73    70    71    35.00000  109.50000
   73    77    78    35.00000  120.00000
   73    77    89    70.00000  124.00000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    35.00000  109.50000
   77    89    90    35.00000  109.50000
   77    89    44    85.00000  110.90400
   89    53    60    58.35000  112.70000
   89    77    78    35.00000  117.00000
   44    37    38    35.00000  109.50000
   44    37    42    50.00000  109.50000
   44    89    90    35.00000  109.50000
   79    73    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    73    85.00000  110.90400
   74    83    84    83.00000  123.40000
   74    83    91    81.00000  111.40000
   83    91    92    35.00000  109.50000
   83    91    93    35.00000  109.50000
   83    91    94    63.00000  111.10000
   91    83    84    80.00000  120.40000
   91    94    95    37.50000  110.70000
   91    94    96    58.35000  112.70000
   91    94   100    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    96    97    37.50000  110.70000
   94    96    98    37.50000  110.70000
   94    96    99    37.50000  110.70000
   94   100   101    37.50000  110.70000
   94   100   102    37.50000  110.70000
   94   100   103    37.50000  110.70000
   96    94    95    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    94    95    37.50000  110.70000
  100    94    96    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   63    53    60    58.35000  112.70000
   63    53    89    58.35000  112.70000
   63    72    75    83.00000  116.90000
   65    63    64    33.00000  107.80000
   72    63    64    35.00000  109.50000
   72    63    65    35.00000  109.50000
   72    75    76    83.00000  123.40000
   72    75    85    81.00000  111.40000
   75    85    86    35.00000  109.50000
   75    85    87    35.00000  109.50000
   75    85    88    35.00000  109.50000
   85    75    76    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   54    51    53    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    51    50.00000  109.50000
   52    58    59    83.00000  123.40000
   52    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    47    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    45    46    55.00000  108.50000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
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   39    33    51    53   0.20000  1.0 3.0
   39    33    51    54   0.56750  1.0 1.0
   39    33    51    54  -0.07550 -1.0 2.0
   39    33    51    54   0.20000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    39    45    46   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   70    79    73    77   1.10000 -1.0 2.0
   89    78    77    73   1.10000 -1.0 2.0
   74    91    83    84  10.50000 -1.0 2.0
   72    85    75    76  10.50000 -1.0 2.0
   52    66    58    59  10.50000 -1.0 2.0
END
