* LIGAND DATABASE FILE (OPLS2005)
*
001     115   116    217    330     641
    1     0 S   NP   _N1_     1    28.76821    94.22830   -23.71908
    2     1 S   H    _HN1     2     1.02788   103.51344   -82.06766
    3     1 S   H    _H1_     3     1.02955    85.99276    25.82259
    4     1 S   H    _H2_     4     1.02831    24.81134   174.48616
    5     1 S   CT   _CA1     5     1.50094   132.24850   139.94615
    6     5 S   HC   _HA1     6     1.09559   105.19580    74.01437
    7     5 S   CO3  _C1_     7     1.53760   112.39242   -46.22971
    8     7 S   O2Z  _O11     8     1.26358   115.02026   -45.76153
    9     7 S   O2Z  _O12     9     1.26218   114.93961   133.31797
   10     5 S   CT   _CB1    10     1.53057   107.40742  -168.02339
   11    10 S   HC   HB11    11     1.09728   109.31601   -49.77057
   12    10 S   HC   HB12    12     1.09808   110.54217    66.72574
   13    10 S   CT   _CG1    13     1.52903   112.53372  -170.93048
   14    13 S   HC   HG11    14     1.09612   110.51179   -65.92151
   15    13 S   HC   HG12    15     1.09397   109.94524    53.16969
   16    13 S   C    _CD1    16     1.51703   112.47696   173.46499
   17    16 S   O    _OE1    17     1.22711   123.30653     3.52681
   18    16 S   N    _N2_    18     1.38598   111.55658  -177.06795
   19    18 S   H    _HN2    19     1.01606   118.97037     2.73337
   20    18 S   CT1  _CA2    20     1.46196   123.34028  -177.23077
   21    20 S   HC   _HA2    21     1.09720   109.76260    -9.67943
   22    20 S   C    _C2_    22     1.53126   107.03721  -125.62688
   23    22 S   O    _O2_    23     1.22984   122.66464  -132.02870
   24    20 S   CT   _CB2    32     1.53524   111.33334   112.63636
   25    24 S   HC   HB21    33     1.09296   108.99596    56.76506
   26    24 S   HC   HB22    34     1.09463   110.02308   175.30205
   27    22 S   N    _N3_    24     1.38495   113.15906    53.59526
   28    27 S   H    _HN3    25     1.01654   119.70724    -2.22959
   29    24 S   S    _SG2    35     1.82985   111.20423   -64.89419
   30    27 S   CT   _CA3    26     1.45344   122.56339   178.14882
   31    30 S   HC   HA31    27     1.09551   108.07844   -53.80447
   32    30 S   HC   HA32    28     1.09580   107.32417    62.43986
   33    29 S   CT   _C26    36     1.86781   102.18399   164.77989
   34    30 S   CO3  _C3_    29     1.52786   114.30973  -175.44435
   35    34 S   O2Z  _O31    30     1.26305   115.96240    17.34715
   36    34 S   O2Z  _O32    31     1.26411   114.51563  -162.77014
   37    33 S   CO4  _C25    37     1.54150   106.71462   179.75853
   38    37 S   O    _O34    38     1.22934   123.38481   -27.15616
   39    33 S   CT   _C17    51     1.55171   112.91810   -58.10971
   40    39 S   HC   _H5_    52     1.09866   108.27200    73.18390
   41    33 S   CT   _C27   112     1.54099   107.69222    65.24069
   42    41 S   HC   _H31   113     1.09506   112.00622   -68.13198
   43    41 S   HC   _H32   114     1.09620   111.59262   172.09821
   44    41 S   HC   _H33   115     1.09694   111.67850    53.52564
   45    37 S   CA   _C24    39     1.48598   118.18895   157.05121
   46    39 S   CT   _C16    53     1.54875   115.42051   -48.73605
   47    46 S   HC   _H25    54     1.09503   110.50013    56.48891
   48    46 S   HC   _H26    55     1.09313   110.63353   -60.30185
   49    45 S   CA   _C23    40     1.40086   119.39767   173.32803
   50    49 S   HA   _H30    41     1.08724   121.18516     1.43395
   51    46 S   CM   _C15    56     1.50603   112.08339   173.95493
   52    51 S   HC   _H24    57     1.08970   113.61233   -62.59310
   53    49 S   CA   _C22    42     1.39594   120.19319  -178.11176
   54    53 S   HA   _H29    43     1.08653   119.91772   179.89532
   55    51 S   CM   _C14    58     1.34718   128.48382   118.55152
   56    53 S   CA   _C21    44     1.39328   120.12753     0.15826
   57    56 S   HA   _H28    45     1.08641   119.99825   179.91153
   58    55 S   CT   _C28    59     1.50382   124.82457    -2.26935
   59    58 S   HC   _H34    60     1.09436   110.37070   110.49849
   60    58 S   HC   _H35    61     1.09181   113.51028   -10.56013
   61    58 S   HC   _H36    62     1.09537   110.12390  -129.87401
   62    55 S   CT   _C13    63     1.51749   119.82549   179.49642
   63    62 S   HC   _H22    64     1.09694   110.78863    10.80309
   64    62 S   HC   _H23    65     1.09793   108.25486   125.41048
   65    56 S   CA   _C20    46     1.39412   120.00643    -0.30261
   66    65 S   HA   _H27    47     1.08706   119.00974  -179.31700
   67    62 S   CT   _C12    66     1.53426   114.61612  -113.26881
   68    67 S   HC   _H20    67     1.09744   109.24184   -62.79250
   69    67 S   HC   _H21    68     1.09638   108.58567  -177.18214
   70    45 S   CA   _C19    48     1.39533   121.17314    -5.13797
   71    67 S   CT   _C11    69     1.53525   115.58703    59.36034
   72    71 S   HC   _H18    70     1.09816   107.86009   179.77706
   73    71 S   HC   _H19    71     1.09752   108.51590   -66.05863
   74    70 S   CO4  _C18    49     1.47486   120.35101    -3.33025
   75    74 S   O    _O33    50     1.22718   120.43573   163.30831
   76    71 S   CT   _C9_    72     1.54542   116.21232    57.19543
   77    76 S   HC   _H4_    73     1.09512   108.85990   -60.44760
   78    76 S   CT   _C10    74     1.53150   111.59784    58.86677
   79    78 S   HC   _H15    75     1.09517   111.14060    59.22675
   80    78 S   HC   _H16    76     1.09410   111.34402   -61.31755
   81    78 S   HC   _H17    77     1.09370   111.55809   179.81548
   82    76 S   CT   _C8_    78     1.54457   108.98482  -177.82570
   83    82 S   HC   _H13    79     1.09714   108.90422    45.17316
   84    82 S   HC   _H14    80     1.09733   109.83190   -71.34843
   85    82 S   CT   _C7_    81     1.53349   113.52881   165.28676
   86    85 S   HC   _H11    82     1.09663   109.17764   -58.79593
   87    85 S   HC   _H12    83     1.09377   110.05191    59.09168
   88    85 S   CT   _C6_    84     1.53378   110.93171  -179.81655
   89    88 S   HC   _H9_    85     1.09425   108.20534    47.00425
   90    88 S   HC   _H10    86     1.09748   109.14393   -68.40835
   91    88 S   CT   _C5_    87     1.54270   113.64748   168.69598
   92    91 S   HC   _H3_    88     1.09753   108.46918   -58.07510
   93    91 S   CT   _C4_    89     1.53257   111.67019    60.36792
   94    93 S   HC   _H6_    90     1.09515   111.21025    57.25711
   95    93 S   HC   _H7_    91     1.09551   110.82493   177.42048
   96    93 S   HC   _H8_    92     1.09415   111.41293   -63.66538
   97    91 S   CT   _C29    93     1.54463   111.59250  -177.22364
   98    97 S   HC   _H37    94     1.09737   109.79616   -55.42651
   99    97 S   HC   _H38    95     1.09727   108.95654  -171.76560
  100    97 S   CT   _C30    96     1.53269   113.39135    67.54087
  101   100 S   HC   _H39    97     1.09444   108.99024    52.48679
  102   100 S   HC   _H40    98     1.09454   110.12954   -65.16613
  103   100 S   CT   _C31    99     1.53220   111.33553   174.36410
  104   103 S   HC   _H41   100     1.09731   109.75713   -58.55302
  105   103 S   HC   _H42   101     1.09765   108.32975    57.53556
  106   103 S   CT   _C32   102     1.54004   113.03964   178.54815
  107   106 S   HC   _H43   103     1.09724   108.86728   -51.12922
  108   106 S   CT   _C33   104     1.52988   112.21104    68.84865
  109   108 S   HC   _H44   105     1.09521   111.21212    59.16650
  110   108 S   HC   _H45   106     1.09543   110.63262   179.02121
  111   108 S   HC   _H46   107     1.09339   111.68058   -61.59947
  112   106 S   CT   _C34   108     1.53052   109.91366  -169.02607
  113   112 S   HC   _H47   109     1.09538   111.29561   -61.22138
  114   112 S   HC   _H48   110     1.09515   110.82262    59.04405
  115   112 S   HC   _H49   111     1.09521   110.82810   178.49390
  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  12   5   4   3
  17   2   1   1  15   5  16   8   6   2   1   1  10  10   5   4
   8   4  11   3   6   3  11   5   3   7   3   2   1   9   5   4
   4   2   9   5   4   2  12   5   4   1   1  12   8   7   3   2
   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2   1
   9   5   4   9   5   4  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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    74    39    40    46    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    49    70    74    75    39    40    46    47    48    51    41    42    43    44  
   35    36  
   36  
    0  
   38    45    49    50    53    65    70    74    39    40    46    41    42    43    44  
   45    49    70    39    41  
   40    46    47    48    51    52    55    41    42    43    44    45    65    70    74    75  
   46    47    48    51    41    70    74    75  
   42    43    44    45    46    74  
   43    44  
   44  
    0  
   49    50    53    54    56    65    66    70    74    75  
   47    48    51    52    55    58    62    70    74    75  
   48    51    52    55    74  
   51    52    55    74  
   50    53    54    56    57    65    70    74  
   53    54    56    70  
   52    55    58    59    60    61    62    63    64    67    74  
   55    58    62  
   54    56    57    65    66    70  
   56    57    65  
   58    59    60    61    62    63    64    67    68    69    71  
   57    65    66    70    74  
   65    66    70  
   59    60    61    62    63    64    67  
   60    61    62  
   61    62  
   62  
   63    64    67    68    69    71    72    73    76  
   64    67    68    69    71  
   67    68    69    71  
   66    70    74    75  
   70    74  
   68    69    71    72    73    76    77    78    82  
   69    71    72    73    76  
   71    72    73    76  
   74    75  
   72    73    76    77    78    79    80    81    82    83    84    85  
   73    76    77    78    82  
   76    77    78    82  
   75  
    0  
   77    78    79    80    81    82    83    84    85    86    87    88  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90    91    92    93    97  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91    92    93    94    95    96    97    98    99   100  
   90    91    92    93    97  
   91    92    93    97  
   92    93    94    95    96    97    98    99   100   101   102   103  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100   101   102   103   104   105   106  
   99   100   101   102   103  
  100   101   102   103  
  101   102   103   104   105   106   107   108   112  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106   107   108   109   110   111   112   113   114   115  
  105   106   107   108   112  
  106   107   108   112  
  107   108   109   110   111   112   113   114   115  
  108   109   110   111   112   113   114   115  
  109   110   111   112   113   114   115  
  110   111   112  
  111   112  
  112  
  113   114   115  
  114   115  
  115  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   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   317.000  1.522
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    49   469.000  1.400
   45    70   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    74   310.000  1.470
   74    75   570.000  1.229
   74    39   317.000  1.522
   39    40   340.000  1.090
   39    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    58   317.000  1.510
   55    62   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   268.000  1.529
   91    97   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   268.000  1.529
  106   107   340.000  1.090
  106   108   268.000  1.529
  106   112   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    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  110.18000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    74    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    46    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    49    60.00000  119.52600
   37    45    70    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   45    70    65    63.00000  120.00000
   45    70    74    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    65    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    65    66    35.00000  120.00000
   56    65    70    63.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    74    60.00000  119.52600
   70    45    49    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    74    75    75.00000  123.78400
   70    74    39    65.00000  115.47100
   74    39    40    35.00000  109.50000
   74    39    46    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    74    75    80.00000  120.40000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    51    70.00000  112.02700
   46    39    40    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    55    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    55    58    70.00000  124.00000
   51    55    62    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    67    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    58    65.00000  117.92700
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    76    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    58.35000  112.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    58.35000  112.70000
   78    76    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    58.35000  112.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    91    92    37.50000  110.70000
   88    91    93    58.35000  112.70000
   88    91    97    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    37.50000  110.70000
   91    88    90    37.50000  110.70000
   91    93    94    37.50000  110.70000
   91    93    95    37.50000  110.70000
   91    93    96    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   100    58.35000  112.70000
   93    91    92    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    91    92    37.50000  110.70000
   97    91    93    58.35000  112.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   103    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   103   104    37.50000  110.70000
  100   103   105    37.50000  110.70000
  100   103   106    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   106   107    37.50000  110.70000
  103   106   108    58.35000  112.70000
  103   106   112    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    37.50000  110.70000
  106   103   105    37.50000  110.70000
  106   108   109    37.50000  110.70000
  106   108   110    37.50000  110.70000
  106   108   111    37.50000  110.70000
  106   112   113    37.50000  110.70000
  106   112   114    37.50000  110.70000
  106   112   115    37.50000  110.70000
  108   106   107    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
  112   106   107    37.50000  110.70000
  112   106   108    58.35000  112.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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
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  107   106   112   115   0.15000  1.0 3.0
  108   106   112   113   0.15000  1.0 3.0
  108   106   112   114   0.15000  1.0 3.0
  108   106   112   115   0.15000  1.0 3.0
  112   106   108   109   0.15000  1.0 3.0
  112   106   108   110   0.15000  1.0 3.0
  112   106   108   111   0.15000  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    45   0.05850 -1.0 2.0
   41    33    37    45   0.17250  1.0 3.0
   41    33    39    74  -0.95700  1.0 1.0
   41    33    39    74  -0.18200 -1.0 2.0
   41    33    39    74   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    46   0.56750  1.0 1.0
   41    33    39    46  -0.07550 -1.0 2.0
   41    33    39    46   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
   35    30    34    36  10.50000 -1.0 2.0
   33    45    37    38  10.50000 -1.0 2.0
   49    70    45    37   4.00000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   65    57    56    53   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   65    74    70    45   4.00000 -1.0 2.0
   70    39    74    75  10.50000 -1.0 2.0
   46    52    51    55  15.00000 -1.0 2.0
   58    62    55    51  15.00000 -1.0 2.0
END
