* LIGAND DATABASE FILE (OPLS2005)
*
001      95   100    196    326     582
    1     0 S   NP   _N1_     1    28.69057    95.72027   -23.01103
    2     1 S   H    _HN1     2     1.02785   102.18311   -96.26145
    3     1 S   H    _H1_     3     1.02949    78.50454    10.29757
    4     1 S   H    _H2_     4     1.02828    33.13135   159.60519
    5     1 S   CT   _CA1     5     1.50110   138.39023   118.16450
    6     5 S   HC   _HA1     6     1.09573   105.19889    82.00221
    7     5 S   CO3  _C1_     7     1.53788   112.46185   -38.24186
    8     7 S   O2Z  _O11     8     1.26372   115.00566   -42.63550
    9     7 S   O2Z  _O12     9     1.26240   114.94703   136.50979
   10     5 S   CT   _CB1    10     1.53080   107.42316  -160.00938
   11    10 S   HC   HB11    11     1.09833   109.37714   -49.72673
   12    10 S   HC   HB12    12     1.09813   110.44780    66.88466
   13    10 S   CT   _CG1    13     1.52989   112.59936  -170.70272
   14    13 S   HC   HG11    14     1.09581   110.62820   -65.56706
   15    13 S   HC   HG12    15     1.09671   109.78752    53.66217
   16    13 S   C    _CD1    16     1.51798   112.23014   174.12644
   17    16 S   O    _OE1    17     1.22735   123.27634     6.92345
   18    16 S   N    _N2_    18     1.38645   111.65334  -173.17642
   19    18 S   H    _HN2    19     1.01579   119.00909     1.56060
   20    18 S   CT1  _CA2    20     1.46223   123.41513   177.64001
   21    20 S   HC   _HA2    21     1.09750   109.28622     2.85944
   22    20 S   C    _C2_    22     1.53614   108.86377  -112.49375
   23    22 S   O    _O2_    23     1.23055   122.28870  -150.62135
   24    20 S   CT   _CB2    32     1.53507   111.59593   124.70319
   25    24 S   HC   HB21    33     1.09563   109.58447    55.51753
   26    24 S   HC   HB22    34     1.09085   109.65238   173.98970
   27    22 S   N    _N3_    24     1.38335   113.78511    36.99237
   28    27 S   H    _HN3    25     1.01570   119.55923    -3.55237
   29    24 S   S    _SG2    35     1.83378   110.80596   -64.48051
   30    27 S   CT   _CA3    26     1.45276   123.22359   177.05390
   31    30 S   HC   HA31    27     1.09549   107.53148   -64.15119
   32    30 S   HC   HA32    28     1.09557   107.96743    52.29099
   33    29 S   CT   _C20    36     1.89768   103.68496  -163.69008
   34    30 S   CO3  _C3_    29     1.52957   114.06741   174.27306
   35    34 S   O2Z  _O31    30     1.26378   116.06803    -0.49019
   36    34 S   O2Z  _O32    31     1.26427   114.41393   179.56659
   37    33 S   CM   _C4_    37     1.52411   106.73797   -36.05250
   38    37 S   HC   _H32    38     1.09210   115.77195   -48.84589
   39    33 S   CT   _C14    53     1.55674   105.61808  -147.98220
   40    39 S   HC   _H45    54     1.09921   108.20390   171.77071
   41    39 S   HC   _H46    55     1.10084   110.87240    58.42779
   42    37 S   CMA  _C5_    39     1.34769   127.35287   131.14176
   43    42 S   OM   _O25    40     1.26151   129.54058  -178.24922
   44    42 S   CT   _C8_    41     1.51568   118.81826     3.18887
   45    44 S   HC   _H33    42     1.10051   110.95358   140.41335
   46    44 S   HC   _H34    43     1.09826   109.64249  -102.64816
   47    44 S   CT   _C10    44     1.52936   113.23259    20.59325
   48    47 S   HC   _H37    45     1.09878   108.16112    70.63551
   49    47 S   HC   _H38    46     1.09764   108.14236  -175.18594
   50    33 S   CT   _C21    47     1.60100   114.80976    91.49832
   51    50 S   C3T  _C24    48     1.56420   111.17569    85.07014
   52    50 S   CT   _C25    92     1.55079   113.03390   -35.87789
   53    52 S   HC   _H53    93     1.09450   111.92251    68.28372
   54    52 S   HC   _H54    94     1.09161   112.46630   -54.13430
   55    52 S   HC   _H55    95     1.09574   111.30466  -173.03646
   56    51 S   CT   _C18    49     1.51726   117.15261   -22.66964
   57    56 S   HC   _H51    50     1.09577   105.61203   -57.07066
   58    51 S   C3T  _C19    85     1.54039   119.93571  -178.75196
   59    58 S   HC   _H52    86     1.08034   121.18695     1.08101
   60    56 S   CT   _C16    51     1.54494   111.00574    58.08081
   61    60 S   HC   _H49    52     1.10019   106.34825  -149.89147
   62    56 S   CT   _C17    63     1.54136   112.54090  -171.46756
   63    62 S   HC   _H50    64     1.09912   108.64181   -72.09764
   64    51 S   O3T  _O29    87     1.43559   115.29848   115.78443
   65    60 S   CO4  _C7_    56     1.52357   115.06798    94.98940
   66    65 S   O    _O27    57     1.22579   123.06877   115.36852
   67    62 S   CT   _C12    65     1.53053   115.60638   167.16262
   68    67 S   HC   _H41    66     1.09456   111.44345    85.94629
   69    67 S   HC   _H42    67     1.09594   111.72165   -34.04775
   70    65 S   OS   _O30    58     1.36092   111.59450   -64.60550
   71    67 S   CT   _C13    68     1.53528   105.52418  -153.42585
   72    71 S   HC   _H43    69     1.09684   110.07887   122.26004
   73    71 S   HC   _H44    70     1.09550   110.27194  -120.89568
   74    70 S   CT   _C27    59     1.42989   115.52298   179.28236
   75    74 S   HC   _H59    60     1.09324   108.08423  -179.70261
   76    74 S   HC   _H60    61     1.09414   110.30105    61.58525
   77    74 S   HC   _H61    62     1.09425   110.26132   -61.06259
   78    71 S   CT   _C23    71     1.55163   106.59209     1.61180
   79    78 S   CT   _C11    72     1.52584   111.22004  -101.34249
   80    79 S   HC   _H39    73     1.09425   111.78479   163.35572
   81    79 S   HC   _H40    74     1.09389   114.36033    40.24049
   82    62 S   CT   _C22    81     1.54833   113.39370    47.05391
   83    79 S   CT   _C9_    75     1.51461   102.69819   -82.36914
   84    83 S   HC   _H35    76     1.09253   111.43179  -149.70891
   85    83 S   HC   _H36    77     1.09315   112.34201    85.56879
   86    82 S   CT   _C15    82     1.54021   108.22982   -66.70460
   87    86 S   HC   _H47    83     1.09409   111.81007   -68.42003
   88    86 S   HC   _H48    84     1.09656   110.16086   173.58421
   89    82 S   CT   _C26    88     1.55507   113.51374    53.09620
   90    89 S   HC   _H56    89     1.09426   112.52880    56.19144
   91    89 S   HC   _H57    90     1.09339   112.51144   -64.78557
   92    89 S   HC   _H58    91     1.09615   110.71070   176.36143
   93    83 S   CO4  _C6_    78     1.49868   101.72530   -31.32220
   94    93 S   O    _O26    79     1.22086   125.54060  -163.94404
   95    78 S   OS   _O28    80     1.43505   109.83159   145.41288
  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
  23   2   1   1  14   5  15   6   5   8   4   8   5   4  11   4
   3  13  19   6   2   1   1  19   9  10   5  10   4  20   8   4
   6   2  11   6   5   4  12   5   4   3   2   1   1  17  11   7
   6  10   5   4   3   7   2   1   4   2   1   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    60    39    40    41    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    56    60    61    39    40    41    65    58    64    52    53    54    55  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    60    39    40    41    52  
   42    43    44    50    39  
   40    41    65    66    70    62    52    42    47    50    51    56    57    60    61  
   41    65    50    56    60    61  
   65    50    56    60    61  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    56    58    64    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    56    57    60    62    86    58    59    64    52    53    54    55  
   56    57    60    61    65    62    63    67    82    86    87    88    58    59    64    52    53    54    55  
   53    54    55    56    58    64  
   54    55  
   55  
    0  
   57    60    61    65    66    70    62    63    67    68    69    71    78    82    86    58    59    64    89  
   60    61    65    62    63    67    82    58    64  
   59    64    89    60    62    78    82    86    87    88  
   64    82    86    87    88  
   61    65    66    70    74    62    63    67    82    64  
   65    66    70    62  
   63    67    68    69    71    72    73    78    79    95    82    86    87    88    64    89    90    91    92    65  
   67    68    69    71    78    82    86    89  
   82    86    87    88  
   66    70    74    75    76    77  
   70    74  
   68    69    71    72    73    78    79    95    82    86    89  
   69    71    72    73    78    82  
   71    72    73    78    82  
   74    75    76    77  
   72    73    78    79    80    81    83    93    95    82    86    89  
   73    78    79    95    82  
   78    79    95    82  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    83    84    85    93    94    95    82    86    87    88    89    90    91    92  
   80    81    83    84    85    93    94    95    82    86    89  
   81    83    84    85    93    95    82  
   83    84    85    93    95    82  
   86    87    88    89    90    91    92    83    93    95  
   84    85    93    94    95  
   85    93    94    95  
   93    94    95  
   87    88    89    90    91    92    95  
   88    89  
   89  
   90    91    92    95  
   91    92  
   92  
    0  
   94    95  
   95  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   275.000  1.510
   50    52   268.000  1.529
   51    56   275.000  1.510
   51    58   260.000  1.509
   51    64   335.000  1.432
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   268.000  1.529
   60    61   340.000  1.090
   60    39   268.000  1.529
   60    65   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   65    66   570.000  1.229
   65    70   214.000  1.327
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    82   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    78   268.000  1.529
   78    79   268.000  1.529
   78    95   320.000  1.410
   78    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    93   317.000  1.522
   93    94   570.000  1.229
   93    95   214.000  1.327
   82    86   268.000  1.529
   82    89   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    58   275.000  1.510
   58    59   340.000  1.088
   58    64   335.000  1.432
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    70.00000  112.37300
   33    50    52    58.35000  112.70000
   33    39    60    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    70.00000  112.37300
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    56    58.35000  112.70000
   50    51    58    60.00000  120.94000
   50    51    64    80.00000  116.47100
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    37.50000  110.70000
   51    56    57    45.00000  109.38400
   51    56    60    70.00000  112.37300
   51    56    62    70.00000  112.37300
   51    58    86    60.00000  120.94000
   51    58    59    37.50000  117.20000
   51    58    64    15.00000   60.43100
   51    64    58    15.00000   59.14900
   56    60    61    37.50000  110.70000
   56    60    39    58.35000  112.70000
   56    60    65    63.00000  111.10000
   56    62    63    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    62    82    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    39    40    37.50000  110.70000
   60    39    41    37.50000  110.70000
   60    65    66    80.00000  120.40000
   60    65    70    81.00000  111.40000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    60    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    39    63.00000  111.10000
   65    70    74    83.00000  116.90000
   70    65    66    83.00000  123.40000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    60    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    58.35000  112.70000
   62    82    78    58.35000  112.70000
   62    82    86    58.35000  112.70000
   62    82    89    58.35000  112.70000
   67    62    63    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    78    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    78    79    58.35000  112.70000
   71    78    95    50.00000  109.50000
   71    78    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    83    58.35000  112.70000
   78    95    93    83.00000  116.90000
   78    82    86    58.35000  112.70000
   78    82    89    58.35000  112.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    93    63.00000  111.10000
   81    79    80    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    37.50000  110.70000
   83    93    94    80.00000  120.40000
   83    93    95    81.00000  111.40000
   85    83    84    33.00000  107.80000
   93    83    84    35.00000  109.50000
   93    83    85    35.00000  109.50000
   95    78    79    50.00000  109.50000
   95    93    94    83.00000  123.40000
   82    62    63    37.50000  110.70000
   82    62    67    58.35000  112.70000
   82    78    79    58.35000  112.70000
   82    78    95    50.00000  109.50000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    58    70.00000  112.37300
   82    89    90    37.50000  110.70000
   82    89    91    37.50000  110.70000
   82    89    92    37.50000  110.70000
   86    58    59    40.00000  115.04500
   86    58    64    80.00000  116.47100
   88    86    87    33.00000  107.80000
   58    51    56    60.00000  120.94000
   58    86    87    45.00000  109.38400
   58    86    88    45.00000  109.38400
   64    51    56    80.00000  116.47100
   64    51    58    15.00000   60.43100
   64    58    59    50.00000  114.27700
   89    82    86    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   52    50    51    70.00000  112.37300
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.44750  1.0 1.0
   29    33    50    51  -0.17800 -1.0 2.0
   29    33    50    51   0.20200  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    39    60   0.44750  1.0 1.0
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   58    51    56    60   0.67350  1.0 3.0
   58    51   -56    62   0.07850  1.0 1.0
   58    51   -56    62  -0.03950 -1.0 2.0
   58    51   -56    62   0.67350  1.0 3.0
   59    58   -64    51   0.36800  1.0 3.0
   64    51    56    57   0.23400  1.0 3.0
   64    51    56    60   0.02550  1.0 1.0
   64    51    56    60  -0.02600 -1.0 2.0
   64    51    56    60   1.20400  1.0 3.0
   64    51    56    62   0.02550  1.0 1.0
   64    51    56    62  -0.02600 -1.0 2.0
   64    51    56    62   1.20400  1.0 3.0
   64    51   -58    86   0.02550  1.0 1.0
   64    51   -58    86  -0.02600 -1.0 2.0
   64    51   -58    86   1.20400  1.0 3.0
   64    51   -58    59   0.23400  1.0 3.0
   89    82    86    87   0.15000  1.0 3.0
   89    82    86    88   0.15000  1.0 3.0
   89    82    86    58   0.47050  1.0 1.0
   89    82    86    58   0.03900 -1.0 2.0
   89    82    86    58   0.20100  1.0 3.0
   52    50    51    56   0.56750  1.0 1.0
   52    50    51    56  -0.07550 -1.0 2.0
   52    50    51    56   0.20000  1.0 3.0
   52    50    51    58   0.07850  1.0 1.0
   52    50    51    58  -0.03950 -1.0 2.0
   52    50    51    58   0.67350  1.0 3.0
   52    50    51    64   0.02550  1.0 1.0
   52    50    51    64  -0.02600 -1.0 2.0
   52    50    51    64   1.20400  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   60    70    65    66  10.50000 -1.0 2.0
   83    95    93    94  10.50000 -1.0 2.0
END
