@<TRIPOS>MOLECULE
BindingDB_19811
 91 93 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.9182   36.2433   70.6225  C     
2    C        18.2451   34.9074   70.3141  C     
3    C        18.2158   33.9267   71.3192  C     
4    C        17.8678   34.2822   72.6334  C     
5    C        17.5263   35.6127   72.9402  C     
6    C        17.5468   36.6134   71.9362  C     
7    C        17.1767   38.0068   72.2759  C     
8    O        15.7546   38.1450   72.2083  O     
9    C        14.9532   38.8923   73.0179  C     
10   O        15.4847   39.6345   74.0155  O     
11   N        13.6150   38.9370   72.8743  N     
12   C        12.8342   38.2841   71.8588  C     
13   C        11.6803   37.4613   72.5208  C     
14   C        12.0272   36.4928   73.7070  C     
15   C        13.2430   35.5690   73.4184  C     
16   C        12.1678   37.1934   75.0843  C     
17   C        12.3256   39.2797   70.9081  C     
18   O        12.3706   40.4743   71.1939  O     
19   N        11.8313   38.8959   69.7331  N     
20   C        11.5198   39.7575   68.6155  C     
21   C        12.1536   39.2209   67.4225  C     
22   C         9.9803   39.8916   68.4345  C     
23   C         9.3817   38.6504   67.7191  C     
24   C        11.3706   38.8442   66.2556  C     
25   O        13.3774   39.1368   67.3823  O     
26   N        10.1755   38.0914   66.6364  N     
27   C         9.7974   36.9566   65.9882  C     
28   O        10.5007   36.5449   65.0752  O     
29   C         8.5999   36.1570   66.2836  C     
30   C         8.5443   34.6402   65.8659  C     
31   C         8.5404   34.1995   64.3513  C     
32   C         9.7678   33.3275   63.9696  C     
33   C         7.2461   33.4544   63.9398  C     
34   N         7.3550   36.8621   65.9632  N     
35   C         6.9096   37.0593   64.6760  C     
36   O         7.6778   36.7562   63.5989  O     
37   O         5.6717   37.6021   64.4510  O     
38   C         4.9485   37.7745   63.2286  C     
39   C         3.5076   37.6196   63.5458  C     
40   C         2.8246   38.6573   64.2239  C     
41   C         1.4610   38.5320   64.5443  C     
42   C         0.7618   37.3586   64.2050  C     
43   C         1.4273   36.3218   63.5212  C     
44   C         2.7889   36.4539   63.1905  C     
45   C         6.4873   37.2883   67.0389  C     
46   H        17.9410   36.9442   69.8767  H     
47   H        18.4991   34.6556   69.3577  H     
48   H        18.4526   32.9593   71.0938  H     
49   H        17.8576   33.5679   73.3651  H     
50   H        17.2669   35.8488   73.9019  H     
51   H        17.5566   38.2494   73.2707  H     
52   H        17.6066   38.7167   71.5702  H     
53   H        13.1227   39.4927   73.5065  H     
54   H        13.4611   37.5897   71.2874  H     
55   H        10.9121   38.1630   72.8692  H     
56   H        11.2118   36.8596   71.7342  H     
57   H        11.1576   35.8336   73.8016  H     
58   H        13.0651   34.9738   72.5217  H     
59   H        13.4141   34.8974   74.2609  H     
60   H        14.1500   36.1541   73.2794  H     
61   H        13.1543   37.6422   75.2117  H     
62   H        12.0407   36.4666   75.8893  H     
63   H        11.4119   37.9750   75.2117  H     
64   H        11.7424   37.9431   69.5865  H     
65   H        11.9143   40.7684   68.7771  H     
66   H         9.4857   40.0503   69.4007  H     
67   H         9.7790   40.7762   67.8191  H     
68   H         9.2541   37.8936   68.4936  H     
69   H         8.4043   38.9465   67.3436  H     
70   H        11.0398   39.7667   65.7635  H     
71   H        12.0138   38.3349   65.5300  H     
72   H         8.6610   36.0374   67.3689  H     
73   H         9.3759   34.1287   66.3720  H     
74   H         7.6384   34.2379   66.3392  H     
75   H         8.5732   35.0814   63.7114  H     
76   H        10.7049   33.7839   64.2997  H     
77   H         9.8096   33.2001   62.8811  H     
78   H         9.6684   32.3438   64.4369  H     
79   H         7.1265   32.5610   64.5585  H     
80   H         7.2927   33.1646   62.8869  H     
81   H         6.3791   34.1034   64.0772  H     
82   H         5.1389   38.7721   62.8289  H     
83   H         5.2823   37.0467   62.4812  H     
84   H         3.3185   39.5153   64.4817  H     
85   H         0.9772   39.2892   65.0262  H     
86   H        -0.2209   37.2614   64.4516  H     
87   H         0.9163   35.4780   63.2661  H     
88   H         3.2506   35.6895   62.6902  H     
89   H         5.7397   36.5125   67.2144  H     
90   H         5.9815   38.2313   66.8184  H     
91   H         7.0171   37.4701   67.9719  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 am
    12   11   12 1
    13   12   13 1
    14   12   17 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   17   18 2
    19   17   19 am
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   21   24 1
    24   21   25 2
    25   22   23 1
    26   23   26 1
    27   24   26 1
    28   26   27 am
    29   27   28 2
    30   27   29 1
    31   29   30 1
    32   29   34 1
    33   30   31 1
    34   31   32 1
    35   31   33 1
    36   34   35 am
    37   34   45 1
    38   35   36 2
    39   35   37 1
    40   37   38 1
    41   38   39 1
    42   39   40 2
    43   39   44 1
    44   40   41 1
    45   41   42 2
    46   42   43 1
    47   43   44 2
    48    1   46 1
    49    2   47 1
    50    3   48 1
    51    4   49 1
    52    5   50 1
    53    7   51 1
    54    7   52 1
    55   11   53 1
    56   12   54 1
    57   13   55 1
    58   13   56 1
    59   14   57 1
    60   15   58 1
    61   15   59 1
    62   15   60 1
    63   16   61 1
    64   16   62 1
    65   16   63 1
    66   19   64 1
    67   20   65 1
    68   22   66 1
    69   22   67 1
    70   23   68 1
    71   23   69 1
    72   24   70 1
    73   24   71 1
    74   29   72 1
    75   30   73 1
    76   30   74 1
    77   31   75 1
    78   32   76 1
    79   32   77 1
    80   32   78 1
    81   33   79 1
    82   33   80 1
    83   33   81 1
    84   38   82 1
    85   38   83 1
    86   40   84 1
    87   41   85 1
    88   42   86 1
    89   43   87 1
    90   44   88 1
    91   45   89 1
    92   45   90 1
    93   45   91 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.3097
  Crash		| -3.0398
  Polar		| 2.8126
  FragIndex	| 1
  FragRMSD	| 1.433