@<TRIPOS>MOLECULE
BindingDB_26442
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -24.2991    3.8493   20.0177  C     
2    C       -24.9610    5.1178   20.3599  C     
3    O       -26.0877    5.5057   19.7195  O     
4    O       -24.2628    6.0423   21.0565  O     
5    C       -25.2871    2.7102   19.6516  C     
6    C       -26.4651    2.5420   20.6460  C     
7    C       -27.3445    1.3859   20.3816  C     
8    O       -28.4099    1.1887   21.1745  O     
9    O       -27.1866    0.5796   19.3020  O     
10   N       -23.4237    4.1018   18.9186  N     
11   S       -21.8067    4.5228   19.1223  S     
12   O       -21.6545    5.5770   20.3112  O     
13   O       -21.3724    5.3431   17.8342  O     
14   C       -20.7570    3.1536   19.3978  C     
15   C       -19.0177    1.6132   18.6210  C     
16   C       -18.1233    1.1628   17.6399  C     
17   C       -17.3689    0.0662   17.8664  C     
18   C       -17.4279   -0.6162   19.0555  C     
19   C       -18.2622   -0.2222   20.0315  C     
20   C       -19.0885    0.9050   19.8502  C     
21   C       -19.9991    1.3294   20.8357  C     
22   C       -20.8247    2.4430   20.6113  C     
23   C       -19.8465    2.7327   18.3959  C     
24   O       -16.6627   -1.7182   19.1647  O     
25   C       -15.7480   -1.7199   20.2770  C     
26   H       -23.7216    3.5094   20.8818  H     
27   H       -25.6920    2.8869   18.6487  H     
28   H       -24.7169    1.7731   19.6236  H     
29   H       -26.0753    2.4277   21.6596  H     
30   H       -27.0884    3.4408   20.6170  H     
31   H       -23.8261    4.2737   18.0524  H     
32   H       -18.0390    1.6455   16.7722  H     
33   H       -16.7413   -0.2378   17.1493  H     
34   H       -18.2958   -0.7260   20.8784  H     
35   H       -20.0771    0.8270   21.7219  H     
36   H       -21.4816    2.7330   21.3382  H     
37   H       -19.8045    3.2366   17.5068  H     
38   H       -15.2264   -0.7655   20.3996  H     
39   H       -15.0121   -2.4947   20.1020  H     
40   H       -16.2960   -1.9641   21.1993  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   10 1
     4    2    3 2
     5    2    4 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10   10   11 1
    11   11   12 2
    12   11   13 2
    13   11   14 1
    14   14   22 2
    15   14   23 1
    16   15   16 1
    17   15   20 1
    18   15   23 2
    19   16   17 2
    20   17   18 1
    21   18   19 2
    22   18   24 1
    23   19   20 1
    24   20   21 2
    25   21   22 1
    26   24   25 1
    27    1   26 1
    28    5   27 1
    29    5   28 1
    30    6   29 1
    31    6   30 1
    32   10   31 1
    33   16   32 1
    34   17   33 1
    35   19   34 1
    36   21   35 1
    37   22   36 1
    38   23   37 1
    39   25   38 1
    40   25   39 1
    41   25   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.3513
  Crash		| -0.5876
  Polar		| 5.4308
  FragIndex	| 1
  FragRMSD	| 0.157