* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    307     581
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101   100.90433   -46.83936
    3     1 S   H    _H1_     3     1.02046    76.40770    59.98325
    4     1 S   H    _H2_     4     1.02162    38.36120  -153.21294
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C8_    36     1.84983    97.58249  -158.12312
   34    33 S   HC   _H3_    37     1.08778   105.54574    36.12317
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C5_    38     1.50876   106.85456   -79.99880
   39    38 S   CMA  _C4_    39     1.35941   127.07859  -116.97642
   40    39 S   OM   _O23    40     1.25838   125.51715   176.88957
   41    38 S   OS   _O28    94     1.39587   114.16614    63.28257
   42    39 S   CT   _C17    41     1.60915   120.87880    -4.35325
   43    41 S   CT   _C24    95     1.40196   112.14922    89.73237
   44    43 S   HC   _H56    96     1.09295   109.48776  -179.96574
   45    43 S   HC   _H57    97     1.09312   109.53597    59.29013
   46    43 S   HC   _H58    98     1.09197   109.02014   -60.39008
   47    42 S   CT   _C9_    42     1.59969   104.06203    28.00969
   48    47 S   HC   _H36    43     1.09660   106.54041    55.56609
   49    42 S   CT   _C21    90     1.55550   105.74866   -89.09252
   50    49 S   HC   _H47    91     1.07775   108.16440  -179.94766
   51    49 S   HC   _H48    92     1.07795   108.11735    60.00478
   52    49 S   HC   _H49    93     1.07790   108.15238   -59.97080
   53    47 S   CT   _C6_    44     1.52987   115.23032   172.16764
   54    53 S   HC   _H31    45     1.09384   111.61124    69.53681
   55    53 S   HC   _H32    46     1.09883   109.33745  -174.09333
   56    33 S   CT   _C12    84     1.54111   113.61285   154.69699
   57    56 S   HC   _H39    85     1.11212   107.04322  -160.68892
   58    53 S   CT   _C13    47     1.52211   111.80066   -56.54744
   59    58 S   HC   _H40    48     1.10089   107.86657  -178.02424
   60    56 S   CT   _C20    86     1.53612   113.08590   -46.03604
   61    60 S   HC   _H44    87     1.08692   109.48052    63.87275
   62    60 S   HC   _H45    88     1.08702   109.46021   -56.05401
   63    60 S   HC   _H46    89     1.08587   109.50691  -176.06249
   64    58 S   CT   _C18    49     1.54472   112.28392    60.68238
   65    64 S   CT   _C10    50     1.58972   107.43684  -175.86777
   66    65 S   HC   _H37    51     1.10101   106.53264   -65.39020
   67    64 S   CT   _C22    80     1.55949   106.44716    68.32364
   68    67 S   HC   _H50    81     1.07976   108.48819   -64.78260
   69    67 S   HC   _H51    82     1.08015   108.42631   175.19633
   70    67 S   HC   _H52    83     1.07982   108.44943    55.24755
   71    65 S   CT   _C7_    52     1.54263   111.25389    49.16504
   72    71 S   HC   _H33    53     1.09814   110.75447    71.54885
   73    71 S   HC   _H34    54     1.09685   111.20233  -171.01806
   74    65 S   CT   _C19    60     1.55481   113.59537   177.30252
   75    71 S   CO   _C16    55     1.52161   111.53181   -50.15485
   76    75 S   HC   _H43    56     1.11673   110.15161   -64.85445
   77    74 S   CT   _C15    61     1.53568   110.92538   -49.38814
   78    77 S   HC   _H42    62     1.10148   108.93270   -71.99788
   79    74 S   CT   _C23    74     1.53892   112.84924  -174.29006
   80    79 S   HC   _H53    75     1.08497   109.25105  -179.97202
   81    79 S   HC   _H54    76     1.08435   109.24264    59.99532
   82    79 S   HC   _H55    77     1.08462   109.24463   -60.00174
   83    74 S   OH   _O27    78     1.43431   107.65023    70.05061
   84    83 S   HO   _H64    79     0.96734   106.21192    59.97584
   85    58 S   OS   _O24    57     1.43247   106.94615   -62.24700
   86    75 S   OH   _O26    58     1.42485   110.20562   177.48161
   87    86 S   HO   _H63    59     0.97028   106.66161    59.93324
   88    77 S   CT   _C14    63     1.54164   114.51997    49.76540
   89    88 S   HC   _H41    64     1.11659   108.87191    62.88582
   90    77 S   OS   _O29    69     1.43287   109.31894   172.72956
   91    42 S   CT   _C11    65     1.64567   117.68718   148.86161
   92    91 S   HC   _H38    66     1.08661   104.56212   -42.51513
   93    88 S   OH   _O25    67     1.42022   104.25888   178.02246
   94    93 S   HO   _H62    68     0.96716   106.15148  -177.63140
   95    90 S   CT   _C25    70     1.41635   111.06880   153.87219
   96    95 S   HC   _H59    71     1.09221   109.58875  -180.00000
   97    95 S   HC   _H60    72     1.09360   109.45865    59.27072
   98    95 S   HC   _H61    73     1.09229   109.04354   -60.31113
  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   9   5   4   3
  16   7   2   1   1  14  16   5   6  22   3   2   1   1  21   9
   9   3   2   1  13   6   5   7   4  17   6   3   2   1   1  20
  25  10   9   3   2   1  12   6   5  15   4   3  18   8   7   3
   2   1   3   1   3   1   1   7   5   6   3   1   1   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    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    47    56    57    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    48    53    56    57    60    61    62    63    41    43  
   38    39    47    56    57    60    41  
   36    37  
   37  
    0  
   39    40    42    47    91    56    57    60    49    41    43    44    45    46  
   40    42    47    48    53    64    88    91    92    56    49    50    51    52    41    43  
   42    47    91    49    41  
   43    44    45    46    42    56  
   47    48    53    54    55    58    64    65    77    88    89    91    92    93    67    56    57    60    49    50    51    52  
   44    45    46  
   45    46  
   46  
    0  
   48    53    54    55    58    59    64    85    88    91    92    56    57    60    61    62    63    49    50    51    52  
   53    54    55    58    91    56    57    60    49  
   50    51    52    53    56    64    88    91    92  
   51    52    91  
   52    91  
   91  
   54    55    58    59    64    65    75    85    91    67    56    57    60  
   55    58    59    64    85    56  
   58    59    64    85    56  
   57    60    61    62    63    58    91  
   60    61    62    63  
   59    64    65    66    71    75    76    85    86    74    88    91    92    67    68    69    70  
   64    65    75    85    91    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    71    72    73    75    85    74    77    88    89    91    92    93    79    83    67    68    69    70  
   66    71    72    73    75    76    85    86    74    77    78    88    91    92    90    79    80    81    82    83    84    67    68    69    70  
   71    72    73    75    74    77    91    79    83    67  
   68    69    70    71    74    85    88    91    92  
   69    70    91  
   70    91  
   91  
   72    73    75    76    85    86    87    74    77    91    79    83  
   73    75    76    85    86    74  
   75    76    85    86    74  
   77    78    88    89    91    93    90    95    79    80    81    82    83    84    75  
   76    85    86    87  
   85    86    87  
   78    88    89    91    92    93    94    90    95    96    97    98    79    80    81    82    83    84  
   88    89    91    93    90    95    79    83  
   80    81    82    83    84    88    90  
   81    82    83  
   82    83  
   83  
   84    88    90  
    0  
   86    87    91  
   87  
    0  
   89    91    92    93    94    90    95  
   91    92    93    94    90  
   95    96    97    98    91    93  
   92    93    94  
   93  
   94  
    0  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.030000   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    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   317.000  1.510
   33    56   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    47   268.000  1.529
   42    91   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    85   320.000  1.410
   64    65   268.000  1.529
   64    91   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   250.000  1.527
   75    76   340.000  1.090
   75    85   320.000  1.380
   75    86   380.000  1.407
   86    87   553.000  0.945
   74    77   268.000  1.529
   74    79   268.000  1.529
   74    83   320.000  1.410
   77    78   340.000  1.090
   77    88   268.000  1.529
   77    90   320.000  1.410
   88    89   340.000  1.090
   88    91   268.000  1.529
   88    93   320.000  1.410
   91    92   340.000  1.090
   93    94   553.000  0.945
   90    95   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  112.02700
   39    42    91    70.00000  112.02700
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    91    64    58.35000  112.70000
   42    91    88    58.35000  112.70000
   42    91    92    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    60    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    85    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    65    58.35000  112.70000
   58    64    91    58.35000  112.70000
   58    64    67    58.35000  112.70000
   58    85    75    60.00000  109.50000
   64    58    59    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    91    88    58.35000  112.70000
   64    91    92    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    75    75.00000  109.43000
   65    74    77    58.35000  112.70000
   65    74    79    58.35000  112.70000
   65    74    83    50.00000  109.50000
   71    65    66    37.50000  110.70000
   71    75    76    45.00000  112.01100
   71    75    85    90.00000  108.56700
   71    75    86    90.00000  110.19100
   73    71    72    33.00000  107.80000
   75    71    72    45.00000  108.72000
   75    71    73    45.00000  108.72000
   75    86    87    70.00000  107.92000
   85    58    59    35.00000  109.50000
   85    58    64    50.00000  109.50000
   85    75    76    35.00000  109.50000
   86    75    76    60.00000  108.02500
   86    75    85   110.00000  112.08000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    88    58.35000  112.70000
   74    77    90    50.00000  109.50000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   74    83    84    55.00000  108.50000
   77    88    89    37.50000  110.70000
   77    88    91    58.35000  112.70000
   77    88    93    50.00000  109.50000
   77    90    95    60.00000  109.50000
   88    77    78    37.50000  110.70000
   88    91    92    37.50000  110.70000
   88    93    94    55.00000  108.50000
   91    42    47    58.35000  112.70000
   91    64    65    58.35000  112.70000
   91    88    89    37.50000  110.70000
   93    88    89    35.00000  109.50000
   93    88    91    50.00000  109.50000
   90    77    78    35.00000  109.50000
   90    77    88    50.00000  109.50000
   90    95    96    35.00000  109.50000
   90    95    97    35.00000  109.50000
   90    95    98    35.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   79    74    77    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    74    77    50.00000  109.50000
   83    74    79    50.00000  109.50000
   67    64    65    58.35000  112.70000
   67    64    91    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    42    47    58.35000  112.70000
   49    42    91    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
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   49    42    47    53   0.56750  1.0 1.0
   49    42    47    53  -0.07550 -1.0 2.0
   49    42    47    53   0.20000  1.0 3.0
   49    42    47    56   0.56750  1.0 1.0
   49    42    47    56  -0.07550 -1.0 2.0
   49    42    47    56   0.20000  1.0 3.0
   49    42    91    64   0.56750  1.0 1.0
   49    42    91    64  -0.07550 -1.0 2.0
   49    42    91    64   0.20000  1.0 3.0
   49    42    91    88   0.56750  1.0 1.0
   49    42    91    88  -0.07550 -1.0 2.0
   49    42    91    88   0.20000  1.0 3.0
   49    42    91    92   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
END
