* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    196    321     595
    1     0 S   NP   _N1_     1    28.74081    92.42871   -27.27932
    2     1 S   H    _HN1     2     1.02776   115.07077  -114.70796
    3     1 S   H    _H1_     3     1.02957   101.13067     1.78367
    4     1 S   H    _H2_     4     1.02835     7.78994  -138.24029
    5     1 S   CT   _CA1     5     1.50128   109.08307   118.12705
    6     5 S   HC   _HA1     6     1.09574   105.21970    67.27686
    7     5 S   CO3  _C1_     7     1.53790   112.36481   -52.92271
    8     7 S   O2Z  _O11     8     1.26366   114.99651   -43.82027
    9     7 S   O2Z  _O12     9     1.26236   114.93431   135.29150
   10     5 S   CT   _CB1    10     1.53098   107.42270  -174.80461
   11    10 S   HC   HB11    11     1.09826   109.34587   -50.46258
   12    10 S   HC   HB12    12     1.09816   110.42152    66.09953
   13    10 S   CT   _CG1    13     1.53013   112.66292  -171.53132
   14    13 S   HC   HG11    14     1.09595   110.48479   -64.16889
   15    13 S   HC   HG12    15     1.09656   109.92570    55.02931
   16    13 S   C    _CD1    16     1.51839   112.32712   175.40859
   17    16 S   O    _OE1    17     1.22745   123.29131     0.01978
   18    16 S   N    _N2_    18     1.38550   111.68816   180.00000
   19    18 S   H    _HN2    19     1.01555   119.03430     4.59094
   20    18 S   CT1  _CA2    20     1.45895   122.93135   178.11073
   21    20 S   HC   _HA2    21     1.09710   108.99689    23.47969
   22    20 S   C    _C2_    22     1.52879   106.58164   -93.81610
   23    22 S   O    _O2_    23     1.23018   122.85508   -30.69115
   24    20 S   CT   _CB2    32     1.53380   112.26430   146.72058
   25    24 S   HC   HB21    33     1.09479   109.38720    55.38801
   26    24 S   HC   HB22    34     1.09364   109.59759   174.19741
   27    22 S   N    _N3_    24     1.38460   112.79824   152.04217
   28    27 S   H    _HN3    25     1.01670   120.44507    -1.52341
   29    24 S   S    _SG2    35     1.82944   110.61939   -64.70449
   30    27 S   CT   _CA3    26     1.45373   122.28002   178.73964
   31    30 S   HC   HA31    27     1.09571   107.52804   -61.68189
   32    30 S   HC   HA32    28     1.09574   107.84277    54.58389
   33    29 S   CT   _C18    36     1.90885   103.10231  -172.36771
   34    30 S   CO3  _C3_    29     1.52854   114.51925   176.54691
   35    34 S   O2Z  _O31    30     1.26303   116.11512    -1.34159
   36    34 S   O2Z  _O32    31     1.26461   114.37493   178.71321
   37    33 S   CM   _C4_    37     1.51758   104.02351    67.19019
   38    37 S   HC   _H33    38     1.09078   115.92715   -85.32201
   39    33 S   CT   _C10    54     1.54635   107.64571   -51.53122
   40    39 S   HC   _H38    55     1.09645   111.11667    64.06979
   41    39 S   HC   _H39    56     1.09779   110.23732   -53.54275
   42    37 S   CMA  _C5_    39     1.35095   126.80035    92.46937
   43    42 S   OM   _O25    40     1.26359   127.96718  -175.99758
   44    42 S   CT   _C14    41     1.54199   119.75727     1.47459
   45    44 S   HC   _H46    42     1.10302   106.73189  -115.48891
   46    44 S   CT   _C12    43     1.55255   115.19100     0.39515
   47    46 S   HC   _H42    44     1.09664   110.53195   153.68566
   48    46 S   HC   _H43    45     1.09967   106.43059   -94.81281
   49    44 S   CT   _C24    96     1.54649   114.30360   129.08653
   50    49 S   HC   _H53    97     1.09232   112.56064   -57.00321
   51    49 S   HC   _H54    98     1.09566   110.86606  -178.14924
   52    49 S   HC   _H55    99     1.09592   111.28275    63.61237
   53    33 S   CT   _C20    46     1.59162   111.93922  -173.01655
   54    53 S   CT   _C22    47     1.60337   110.17420   171.55041
   55    54 S   F    _F31    48     1.37963   107.11402    59.49537
   56    53 S   CT   _C25    92     1.56000   110.75319    49.81729
   57    56 S   HC   _H56    93     1.09254   112.64886    68.07836
   58    56 S   HC   _H57    94     1.09331   112.81155   -53.17158
   59    56 S   HC   _H58    95     1.09238   111.87246  -169.73421
   60    54 S   CT   _C16    49     1.55890   112.00993   -54.34470
   61    60 S   HC   _H48    50     1.09375   110.20628   -63.45938
   62    54 S   CT   _C17    70     1.56209   116.34405   175.17038
   63    62 S   HC   _H49    71     1.09449   108.72971   -61.96249
   64    60 S   CT   _C8_    51     1.53260   110.28718    55.53525
   65    64 S   HC   _H34    52     1.09676   109.78793  -176.04968
   66    64 S   HC   _H35    53     1.09740   110.28144    67.21558
   67    60 S   CT   _C15    57     1.54044   109.39157   176.16748
   68    67 S   HC   _H47    58     1.10234   106.11390   -60.30918
   69    62 S   OH   _O28    72     1.41846   112.78631    56.12598
   70    69 S   HO   _H64    73     0.97245   107.82211  -175.94257
   71    67 S   CT   _C9_    59     1.52580   118.59830  -178.93320
   72    71 S   HC   _H36    60     1.09487   111.96650    77.90614
   73    71 S   HC   _H37    61     1.09590   111.48811   -42.69694
   74    71 S   CT   _C11    62     1.54234   104.40875  -161.88589
   75    74 S   HC   _H40    63     1.09543   108.70317   128.79687
   76    74 S   HC   _H41    64     1.09624   109.96030  -113.57282
   77    74 S   CT   _C19    65     1.55011   106.58482     7.42394
   78    67 S   CT   _C21    66     1.54605   114.08120    58.84675
   79    77 S   CO4  _C6_    78     1.53372   113.93683   149.22369
   80    79 S   O    _O26    79     1.23225   121.40536  -143.68125
   81    77 S   OH   _O29    90     1.43037   107.16028   -96.16258
   82    81 S   HO   _H65    91     0.97249   108.32622   178.61365
   83    78 S   CT   _C13    67     1.54296   106.88531   -60.42027
   84    83 S   HC   _H44    68     1.09641   110.28660   -63.93894
   85    83 S   HC   _H45    69     1.09652   109.54678   178.85226
   86    78 S   CT   _C26    74     1.55548   112.75124    61.63321
   87    86 S   HC   _H59    75     1.09475   112.64561    73.03335
   88    86 S   HC   _H60    76     1.09170   113.18996   -47.23981
   89    86 S   HC   _H61    77     1.09529   110.93951  -167.35056
   90    79 S   CT   _C27    80     1.52167   117.24263    40.48467
   91    90 S   HC   _H62    81     1.09459   108.90098    51.55566
   92    90 S   HC   _H63    82     1.09367   109.07217   -70.08616
   93    90 S   OS   _O30    83     1.42954   108.87871   170.77195
   94    93 S   CO4  _C7_    84     1.36256   115.24934   179.77532
   95    94 S   O    _O27    85     1.22339   126.19291    -0.02798
   96    94 S   CT   _C23    86     1.49834   109.63108   179.98022
   97    96 S   HC   _H50    87     1.09291   109.83481   -60.95106
   98    96 S   HC   _H51    88     1.09381   109.35681  -180.00000
   99    96 S   HC   _H52    89     1.09291   109.83457    60.96568
  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  13   6   5  11   4  11   8  15   5   4
   4   2   1   1  14  21   9   5   2   1   1  17   8  11   6   6
   2   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5
   4   1   6   2   1   3   2   1   1   6   3   2   6   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    53    54    64    39    40    41    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    53    54    55    60    64    65    66    39    40    41    62    56    57    58    59  
   35    36  
   36  
    0  
   38    42    43    44    45    46    53    54    64    39    40    41    56    49  
   42    43    44    53    39  
   40    41    67    56    42    46    53    54    60    61    64    65    66  
   41    53    60    64    65    66  
   53    60    64    65    66  
   43    44    45    46    47    48    53    49    50    51    52  
   44    45    46    49  
   45    46    47    48    53    54    56    49    50    51    52  
   46    47    48    53    49    50    51    52  
   47    48    53    54    55    60    62    56    57    58    59    49    50    51    52  
   48    53    54    56    49  
   53    54    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    60    61    64    67    83    62    63    69    56    57    58    59  
   55    60    61    64    65    66    67    68    71    78    83    84    85    62    63    69    70    56    57    58    59  
   60    61    64    67    83    62    63    69    56  
   57    58    59    60    62  
   58    59  
   59  
    0  
   61    64    65    66    67    68    71    72    73    74    77    78    83    62    63    69    86  
   64    65    66    67    68    71    78    62  
   63    69    70    86    64    67    77    78    83    84    85  
   69    70    78    83    84    85  
   65    66    67    68    71    78  
   66    67  
   67  
   68    71    72    73    74    75    76    77    78    83    84    85    86    87    88    89    79    81  
   71    72    73    74    77    78    83    86  
   70    78    83    84    85  
   83  
   72    73    74    75    76    77    78    83    86    79    81  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78    83    86    79    80    90    81    82  
   76    77    78    79    81  
   77    78    79    81  
   78    83    84    85    86    87    88    89    79    80    90    91    92    93    81    82  
   83    84    85    86    87    88    89    79    80    90    81    82  
   80    90    91    92    93    94    81    82    83    86  
   90    91    92    93    81  
   82    83    86    90  
    0  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94    95    96  
   92    93    94  
   93    94  
   94    95    96    97    98    99  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   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  1.510
   33    53   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   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   367.000  1.332
   54    60   268.000  1.529
   54    62   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    78   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    79   317.000  1.522
   77    81   320.000  1.410
   78    83   268.000  1.529
   78    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    62   268.000  1.529
   62    63   340.000  1.090
   62    69   320.000  1.410
   69    70   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   79    80   570.000  1.229
   79    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   81    82   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    53    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    53    46    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    39    64    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    70.00000  112.02700
   42    44    49    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    53    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    53    54    58.35000  112.70000
   46    53    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    33    37    70.00000  112.02700
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    54    55    50.00000  109.50000
   53    54    60    58.35000  112.70000
   53    54    62    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    62    83    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    69    50.00000  109.50000
   60    54    55    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    39    58.35000  112.70000
   60    67    68    37.50000  110.70000
   60    67    71    58.35000  112.70000
   60    67    78    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   66    64    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    64    66    37.50000  110.70000
   41    39    40    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    64    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    58.35000  112.70000
   67    78    77    58.35000  112.70000
   67    78    83    58.35000  112.70000
   67    78    86    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    79    63.00000  111.10000
   74    77    81    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    83    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    79    80    80.00000  120.40000
   77    79    90    70.00000  116.00000
   77    81    82    55.00000  108.50000
   78    67    68    37.50000  110.70000
   78    67    71    58.35000  112.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    62    58.35000  112.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   83    62    63    37.50000  110.70000
   83    62    69    50.00000  109.50000
   85    83    84    33.00000  107.80000
   62    54    55    50.00000  109.50000
   62    54    60    58.35000  112.70000
   62    83    84    37.50000  110.70000
   62    83    85    37.50000  110.70000
   62    69    70    55.00000  108.50000
   69    62    63    35.00000  109.50000
   86    78    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   79    77    78    63.00000  111.10000
   79    90    91    35.00000  109.50000
   79    90    92    35.00000  109.50000
   79    90    93    90.00000  108.74100
   90    79    80    80.00000  120.40000
   90    93    94    83.00000  116.90000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    83.00000  123.40000
   93    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   96    94    95    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   81    77    78    50.00000  109.50000
   81    77    79    90.00000  109.61100
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    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
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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
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   79    90    93    94   0.03650  1.0 3.0
   80    79    90    91   0.00000  1.0 1.0
   80    79    90    92   0.00000  1.0 1.0
   80    79    90    93   0.30150 -1.0 2.0
   90    93    94    95   3.00000 -1.0 2.0
   90    93    94    96   1.63150  1.0 1.0
   90    93    94    96   2.92000 -1.0 2.0
   91    90    93    94   0.08050  1.0 3.0
   92    90    93    94   0.08050  1.0 3.0
   93    94    96    97   0.00000  1.0 1.0
   93    94    96    98   0.00000  1.0 1.0
   93    94    96    99   0.00000  1.0 1.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.00000  1.0 1.0
   95    94    96    99   0.00000  1.0 1.0
   81    77    78    67   0.86500  1.0 1.0
   81    77    78    67  -0.17500 -1.0 2.0
   81    77    78    67   0.20800  1.0 3.0
   81    77    78    83   0.86500  1.0 1.0
   81    77    78    83  -0.17500 -1.0 2.0
   81    77    78    83   0.20800  1.0 3.0
   81    77    78    86   0.86500  1.0 1.0
   81    77    78    86  -0.17500 -1.0 2.0
   81    77    78    86   0.20800  1.0 3.0
   81    77    79    80   0.30150 -1.0 2.0
   81    77    79    90   0.55300  1.0 1.0
   81    77    79    90   1.25850 -1.0 2.0
   81    77    79    90  -0.23600  1.0 3.0
   56    53    54    55   0.39650  1.0 1.0
   56    53    54    55  -0.18350 -1.0 2.0
   56    53    54    55   0.41450  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    62   0.56750  1.0 1.0
   56    53    54    62  -0.07550 -1.0 2.0
   56    53    54    62   0.20000  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    53   0.56750  1.0 1.0
   49    44    46    53  -0.07550 -1.0 2.0
   49    44    46    53   0.20000  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
   77    90    79    80  10.50000 -1.0 2.0
   93    96    94    95  10.50000 -1.0 2.0
END
