* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     617
    1     0 S   NP   _N1_     1    28.57191    97.17580   -24.72986
    2     1 S   H    _HN1     2     1.02826    37.16268   168.62814
    3     1 S   H    _H1_     3     1.02802   121.31834  -113.35335
    4     1 S   H    _H2_     4     1.02944    69.98383   -13.53120
    5     1 S   CT   _CA1     5     1.50111   123.44160    88.28719
    6     5 S   HC   _HA1     6     1.09572   105.18238    98.79062
    7     5 S   CO3  _C1_     7     1.53769   112.46650   -21.48971
    8     7 S   O2Z  _O11     8     1.26375   115.01760   -43.48308
    9     7 S   O2Z  _O12     9     1.26234   114.95208   135.58914
   10     5 S   CT   _CB1    10     1.53047   107.40505  -143.21686
   11    10 S   HC   HB11    11     1.09843   109.37349   -49.34977
   12    10 S   HC   HB12    12     1.09810   110.47131    67.25029
   13    10 S   CT   _CG1    13     1.53009   112.61151  -170.25967
   14    13 S   HC   HG11    14     1.09566   110.78513   -66.96873
   15    13 S   HC   HG12    15     1.09669   109.69907    52.29615
   16    13 S   C    _CD1    16     1.51757   111.88252   172.84733
   17    16 S   O    _OE1    17     1.22780   123.22755    14.29215
   18    16 S   N    _N2_    18     1.38555   111.90388  -165.88687
   19    18 S   H    _HN2    19     1.01587   119.34314    -2.15150
   20    18 S   CT1  _CA2    20     1.46046   122.45720   177.10051
   21    20 S   HC   _HA2    21     1.09712   108.56295    36.44050
   22    20 S   C    _C2_    22     1.53254   109.01337   -80.17412
   23    22 S   O    _O2_    23     1.23088   121.01754   151.31369
   24    20 S   CT   _CB2    32     1.53167   111.90455   159.91720
   25    24 S   HC   HB21    33     1.09315   109.31054    54.35781
   26    24 S   HC   HB22    34     1.09394   109.38278   173.11237
   27    22 S   N    _N3_    24     1.38348   114.14909   -35.96922
   28    27 S   H    _HN3    25     1.01481   118.69532     6.23763
   29    24 S   S    _SG2    35     1.82567   111.13131   -65.53526
   30    27 S   CT   _CA3    26     1.45376   123.88718   178.83568
   31    30 S   HC   HA31    27     1.09488   109.51806    18.48393
   32    30 S   HC   HA32    28     1.09478   107.07070   135.87631
   33    29 S   CT   _C11    36     1.86284   101.96098  -169.60668
   34    33 S   OM   _O35    37     1.31727   108.44346   176.59665
   35    30 S   CO3  _C3_    29     1.53102   113.03434  -104.86665
   36    35 S   O2Z  _O31    30     1.26439   115.72366   -34.04604
   37    35 S   O2Z  _O32    31     1.26386   114.78449   146.80317
   38    33 S   CM   _C12    38     1.54791   108.67479   -64.66039
   39    38 S   CO4  _C13    39     1.51247   111.72137    95.74129
   40    39 S   O    _O33    40     1.23249   119.51062  -125.99764
   41    38 S   CMA  _C14   102     1.37891   134.25711   -82.83983
   42    41 S   OM   _O34   103     1.27227   128.58437  -176.51721
   43    39 S   CT   _C8_    41     1.54005   118.12598    53.01035
   44    41 S   CA   _C15   104     1.50016   116.04931     4.04908
   45    43 S   CM   _C9_    42     1.53000   108.61850   -42.49979
   46    43 S   CT   _C7_    74     1.55560   110.35231    83.33854
   47    46 S   HC   _H9_    75     1.09909   108.68465    45.68304
   48    46 S   HC   _H10    76     1.09458   109.01530   159.68900
   49    43 S   CT   _C31    88     1.58454   107.17298  -157.21550
   50    49 S   HC   _H32    89     1.09574   108.64334    58.08323
   51    49 S   HC   _H33    90     1.09822   109.59509   172.09768
   52    44 S   CA   _C16   105     1.40585   120.48414  -100.00069
   53    52 S   HA   _H11   106     1.08727   120.23858     2.35476
   54    33 S   CM   _C10    43     1.55361   110.88386    62.11404
   55    45 S   OH   _O37    72     1.39091   115.15977  -166.77432
   56    55 S   HO   _H31    73     0.97107   108.27279   -25.46333
   57    46 S   CM   _C6_    77     1.50636   117.42545   -73.95251
   58    57 S   HC   _H8_    78     1.08789   114.47501    64.72566
   59    49 S   CM   _C32    91     1.51190   117.51979   -68.92638
   60    59 S   HC   _H34    92     1.08901   114.33079   -62.51776
   61    52 S   CA   _C17   107     1.39594   120.39515  -178.22381
   62    61 S   HA   _H12   108     1.08589   119.87613  -179.30170
   63    54 S   CT   _C21    44     1.54795   119.45316    50.97462
   64    63 S   HC   _H16    45     1.09798   109.65441  -160.74902
   65    63 S   HC   _H17    46     1.09618   106.99013   -50.69441
   66    57 S   CM   _C5_    79     1.34699   128.23435  -119.21543
   67    59 S   CM   _C33    93     1.34774   128.13773   119.78734
   68    61 S   CA   _C18   109     1.39426   120.06920     0.70193
   69    68 S   HA   _H13   110     1.08596   119.98040  -179.95577
   70    63 S   CT   _C22    47     1.54582   120.53951    73.07656
   71    70 S   HC   _H3_    48     1.09413   110.24919   -51.08541
   72    66 S   CT   _C4_    80     1.50673   120.11555  -176.61725
   73    72 S   HC   _H5_    81     1.09497   110.11505   118.59754
   74    72 S   HC   _H6_    82     1.09454   110.45791  -121.67961
   75    72 S   HC   _H7_    83     1.09519   112.47823    -1.51801
   76    66 S   CT   _C36    84     1.50214   125.59091     3.47835
   77    76 S   HC   _H41    85     1.09544   110.05823   127.08568
   78    76 S   HC   _H42    86     1.09481   110.06336  -113.69600
   79    76 S   HC   _H43    87     1.09156   113.69836     7.48891
   80    67 S   CT   _C34    94     1.50608   120.29661   178.68478
   81    80 S   HC   _H35    95     1.09499   110.24767   119.60177
   82    80 S   HC   _H36    96     1.09497   110.22140  -120.58952
   83    80 S   HC   _H37    97     1.09510   112.46187    -0.49377
   84    67 S   CT   _C35    98     1.50379   125.58683    -1.89010
   85    84 S   HC   _H38    99     1.09501   110.04388   117.81286
   86    84 S   HC   _H39   100     1.09540   109.98299  -123.01412
   87    84 S   HC   _H40   101     1.09141   113.92639    -2.99892
   88    68 S   CA   _C19   111     1.39427   120.05713     0.34435
   89    88 S   HA   _H14   112     1.08603   120.04896   179.47251
   90    70 S   CT   _C23    49     1.55770   110.44913  -170.71043
   91    90 S   HC   _H4_    50     1.10098   107.37923   -46.19732
   92    44 S   CA   _C20   113     1.40448   120.46482    83.58086
   93    92 S   HA   _H15   114     1.08704   120.33567    -1.57060
   94    90 S   CT   _C24    51     1.53952   105.22145  -159.17963
   95    94 S   HC   _H18    52     1.09500   113.71928  -109.69694
   96    94 S   HC   _H19    53     1.09687   109.63018   130.98353
   97    90 S   CM   _C28    64     1.51832   115.78937    74.64275
   98    94 S   CT   _C25    54     1.52948   106.29543    11.86687
   99    98 S   HC   _H20    55     1.09519   110.71130   137.50304
  100    98 S   HC   _H21    56     1.09707   108.86129  -103.74026
  101    97 S   CM   _C29    65     1.34348   120.84586  -128.31693
  102   101 S   HC   _H26    66     1.08508   121.45625   179.73830
  103   101 S   HC   _H27    67     1.08502   121.51429    -0.03956
  104    97 S   CT   _C30    68     1.50402   118.70946    51.55326
  105   104 S   HC   _H28    69     1.09383   110.70390   -68.62632
  106   104 S   HC   _H29    70     1.09385   111.04058    52.10992
  107   104 S   HC   _H30    71     1.09560   111.88526   171.79046
  108    70 S   CT   _C26    57     1.54206   117.19187    73.41274
  109   108 S   CT   _C27    58     1.51952   114.82277   -75.63268
  110   109 S   HC   _H22    59     1.09015   110.86592    69.48207
  111   109 S   HC   _H23    60     1.09421   112.03791   -52.40536
  112   109 S   HC   _H24    61     1.09616   110.66425  -173.09124
  113   108 S   OH   _O36    62     1.42755   110.44518    48.03400
  114   113 S   HO   _H25    63     0.97209   107.92795   178.21096
  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   8   5   4   3
  15   6   2   1   1  13  16   5  10   3  17   9  15  13   5   4
  10   4   3   8   4   9   2   1  10   3  10   3   6   3  12   5
   4   8   8   5   3  19   8   7   3   2   1   3   2   1   1   7
   3   2   1   3   2   1   1   3   2  18   8   1   1  11   6   5
   9   9   4   3   6   2   1   3   2   1   1   6   5   3   2   1
   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    54    63    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    54    63    64    65    70    55    41    42    44  
   38    39    45    54    63    41  
   36    37  
   37  
    0  
   39    40    43    45    54    63    46    49    41    42    44    52    92  
   40    43    45    54    55    46    47    48    57    49    50    51    59    41    42    44  
   43    45    46    49    41  
   42    44    52    53    61    88    92    93    43    54  
   44    52    92  
   45    54    63    55    56    46    47    48    57    58    66    49    50    51    59    60    67  
   52    53    61    62    68    88    89    92    93  
   54    63    64    65    70    55    56    46    47    48    57    49    50    51    59  
   47    48    57    58    66    72    76    49    50    51    59    54    55  
   48    57    58    66    49  
   57    58    66    49  
   50    51    59    60    67    80    84    54    55    57  
   51    59    60    67  
   59    60    67  
   53    61    62    68    69    88    92    93  
   61    62    68    92  
   63    64    65    70    71    90   108    55    56  
   56    63  
    0  
   58    66    72    73    74    75    76    77    78    79  
   66    72    76  
   60    67    80    81    82    83    84    85    86    87  
   67    80    84  
   62    68    69    88    89    92  
   68    69    88  
   64    65    70    71    90    91    94    98   108   109   113    97  
   65    70    71    90   108  
   70    71    90   108  
   72    73    74    75    76    77    78    79  
   80    81    82    83    84    85    86    87  
   69    88    89    92    93  
   88    89    92  
   71    90    91    94    95    96    98    99   100   108   109   110   111   112   113   114    97   101   104  
   90    91    94    98   108   109   113    97  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    0  
   89    92    93  
   92    93  
   91    94    95    96    98    99   100   108   109   113    97   101   102   103   104   105   106   107  
   94    95    96    98   108    97   101   104  
   93  
    0  
   95    96    98    99   100   108   109   113    97   101   104  
   96    98    99   100   108    97  
   98    99   100   108    97  
  101   102   103   104   105   106   107    98   108  
   99   100   108   109   110   111   112   113   114  
  100   108   109   113  
  108   109   113  
  102   103   104   105   106   107  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   111   112   113   114  
  110   111   112   113   114  
  111   112   113  
  112   113  
  113  
  114  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  114   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   320.000  1.462
   38    41   465.000  1.376
   39    40   570.000  1.229
   39    43   317.000  1.522
   43    45   317.000  1.510
   43    46   268.000  1.529
   43    49   268.000  1.529
   45    54   549.000  1.340
   45    55   510.000  1.338
   54    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    90   268.000  1.529
   70   108   268.000  1.529
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    97   317.000  1.510
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   108   268.000  1.529
  108   109   268.000  1.529
  108   113   320.000  1.410
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   553.000  0.945
   97   101   549.000  1.340
   97   104   317.000  1.510
  101   102   340.000  1.080
  101   103   340.000  1.080
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   55    56   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    57   317.000  1.510
   57    58   340.000  1.080
   57    66   549.000  1.340
   66    72   317.000  1.510
   66    76   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   317.000  1.510
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    80   317.000  1.510
   67    84   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    52   469.000  1.400
   44    92   469.000  1.400
   52    53   367.000  1.080
   52    61   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    88   469.000  1.400
   88    89   367.000  1.080
   88    92   469.000  1.400
   92    93   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  116.34900
   33    38    41    70.00000  124.00000
   33    54    45    70.00000  124.00000
   33    54    63    65.00000  117.92700
   38    33    34    85.00000  110.90400
   38    39    40    80.00000  123.72100
   38    39    43    65.00000  118.62400
   38    41    42    65.00000  137.10300
   38    41    44    60.00000  123.20500
   39    43    45    70.00000  109.06800
   39    43    46    63.00000  111.10000
   39    43    49    63.00000  111.10000
   43    39    40    80.00000  120.40000
   43    45    54    70.00000  124.00000
   43    45    55    90.00000  109.34000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    57    70.00000  112.02700
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    59    70.00000  112.02700
   45    54    63    70.00000  124.00000
   45    55    56    70.00000  107.45700
   54    33    34    85.00000  110.90400
   54    33    38    70.00000  110.12100
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    70    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    90    58.35000  112.70000
   63    70   108    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    90    91    37.50000  110.70000
   70    90    94    58.35000  112.70000
   70    90    97    70.00000  112.02700
   70   108    98    58.35000  112.70000
   70   108   109    58.35000  112.70000
   70   108   113    50.00000  109.50000
   90    70    71    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    98    58.35000  112.70000
   90    97   101    70.00000  124.00000
   90    97   104    65.00000  117.92700
   94    90    91    37.50000  110.70000
   94    98    99    37.50000  110.70000
   94    98   100    37.50000  110.70000
   94    98   108    58.35000  112.70000
   96    94    95    33.00000  107.80000
   98    94    95    37.50000  110.70000
   98    94    96    37.50000  110.70000
   98   108   109    58.35000  112.70000
   98   108   113    50.00000  109.50000
  100    98    99    33.00000  107.80000
  108    70    71    37.50000  110.70000
  108    70    90    58.35000  112.70000
  108    98    99    37.50000  110.70000
  108    98   100    37.50000  110.70000
  108   109   110    37.50000  110.70000
  108   109   111    37.50000  110.70000
  108   109   112    37.50000  110.70000
  108   113   114    55.00000  108.50000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   108   109    50.00000  109.50000
   97    90    91    35.00000  109.50000
   97    90    94    70.00000  112.02700
   97   101   102    35.00000  120.00000
   97   101   103    35.00000  120.00000
   97   104   105    35.00000  109.50000
   97   104   106    35.00000  109.50000
   97   104   107    35.00000  109.50000
  103   101   102    35.00000  117.00000
  104    97   101    70.00000  124.00000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   55    45    54    80.00000  121.38400
   46    43    45    70.00000  112.02700
   46    57    58    35.00000  117.00000
   46    57    66    70.00000  124.00000
   48    46    47    33.00000  107.80000
   57    46    47    35.00000  109.50000
   57    46    48    35.00000  109.50000
   57    66    72    70.00000  124.00000
   57    66    76    70.00000  124.00000
   66    57    58    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   66    76    79    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    66    72    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   49    43    45    70.00000  112.02700
   49    43    46    58.35000  112.70000
   49    59    60    35.00000  117.00000
   49    59    67    70.00000  124.00000
   51    49    50    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    51    35.00000  109.50000
   59    67    80    70.00000  124.00000
   59    67    84    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    80    81    35.00000  109.50000
   67    80    82    35.00000  109.50000
   67    80    83    35.00000  109.50000
   67    84    85    35.00000  109.50000
   67    84    86    35.00000  109.50000
   67    84    87    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    67    80    65.00000  117.92700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   41    38    39    60.00000  125.92000
   41    44    52    60.00000  120.93500
   41    44    92    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    52    53    35.00000  120.00000
   44    52    61    63.00000  120.00000
   44    92    88    63.00000  120.00000
   44    92    93    35.00000  120.00000
   52    61    62    35.00000  120.00000
   52    61    68    63.00000  120.00000
   61    52    53    35.00000  120.00000
   61    68    69    35.00000  120.00000
   61    68    88    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    88    89    35.00000  120.00000
   68    88    92    63.00000  120.00000
   88    68    69    35.00000  120.00000
   88    92    93    35.00000  120.00000
   92    44    52    63.00000  120.00000
   92    88    89    35.00000  120.00000
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
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   50    49    59    60   0.33100  1.0 3.0
   50    49    59    67   0.00000  1.0 1.0
   51    49    59    60   0.33100  1.0 3.0
   51    49    59    67   0.00000  1.0 1.0
   59    67    80    81   0.00000  1.0 1.0
   59    67    80    82   0.00000  1.0 1.0
   59    67    80    83   0.00000  1.0 1.0
   59    67    84    85   0.00000  1.0 1.0
   59    67    84    86   0.00000  1.0 1.0
   59    67    84    87   0.00000  1.0 1.0
   60    59    67    80   7.00000 -1.0 2.0
   60    59    67    84   7.00000 -1.0 2.0
   80    67    84    85   0.34800  1.0 3.0
   80    67    84    86   0.34800  1.0 3.0
   80    67    84    87   0.34800  1.0 3.0
   84    67    80    81   0.34800  1.0 3.0
   84    67    80    82   0.34800  1.0 3.0
   84    67    80    83   0.34800  1.0 3.0
   41    38    39    40   1.00000 -1.0 2.0
   41    38    39    43  -0.33500  1.0 1.0
   41    38    39    43   1.06600 -1.0 2.0
   41    38    39    43  -0.14000  1.0 3.0
   41    44    52    53   3.62500 -1.0 2.0
   41    44    52    61   3.62500 -1.0 2.0
   41    44    92    88   3.62500 -1.0 2.0
   41    44    92    93   3.62500 -1.0 2.0
   42    41    44    52  -0.01750  1.0 1.0
   42    41    44    52  -0.32000 -1.0 2.0
   42    41    44    52   0.00600  1.0 3.0
   42    41    44    92  -0.01750  1.0 1.0
   42    41    44    92  -0.32000 -1.0 2.0
   42    41    44    92   0.00600  1.0 3.0
   44    52    61    62   3.62500 -1.0 2.0
   44    52    61    68   3.62500 -1.0 2.0
   52    44    92    88   3.62500 -1.0 2.0
   52    44    92    93   3.62500 -1.0 2.0
   52    61    68    69   3.62500 -1.0 2.0
   52    61   -68    88   3.62500 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    52    61    68   3.62500 -1.0 2.0
   61    68    88    89   3.62500 -1.0 2.0
   61    68    88    92   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    88   3.62500 -1.0 2.0
   68    88   -92    44   3.62500 -1.0 2.0
   68    88    92    93   3.62500 -1.0 2.0
   69    68    88    89   3.62500 -1.0 2.0
   69    68    88    92   3.62500 -1.0 2.0
   89    88    92    44   3.62500 -1.0 2.0
   89    88    92    93   3.62500 -1.0 2.0
   92    44    52    53   3.62500 -1.0 2.0
   92    44   -52    61   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    43    39    40  10.50000 -1.0 2.0
   43    55    45    54   1.10000 -1.0 2.0
   33    63    54    45   1.10000 -1.0 2.0
   90   104    97   101  15.00000 -1.0 2.0
  102   103   101    97  15.00000 -1.0 2.0
   46    58    57    66  15.00000 -1.0 2.0
   72    76    66    57  15.00000 -1.0 2.0
   49    60    59    67  15.00000 -1.0 2.0
   80    84    67    59  15.00000 -1.0 2.0
   44    42    41    38   1.10000 -1.0 2.0
   52    92    44    41   4.00000 -1.0 2.0
   61    53    52    44   1.10000 -1.0 2.0
   68    62    61    52   1.10000 -1.0 2.0
   88    69    68    61   1.10000 -1.0 2.0
   92    89    88    68   1.10000 -1.0 2.0
   88    93    92    44   1.10000 -1.0 2.0
END
