@<TRIPOS>MOLECULE
BindingDB_11929
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6688   10.2165   13.5875  C     
2    C        -0.9789   10.7064   14.7164  C     
3    C        -0.9276    9.9081   15.8799  C     
4    C        -1.5575    8.6479   15.9095  C     
5    C        -2.2703    8.1680   14.7866  C     
6    C        -2.2995    8.9597   13.6174  C     
7    C        -0.3227   12.0317   14.6451  C     
8    C        -2.9290    6.8409   14.8664  C     
9    N        -3.9713    6.6540   13.9097  N     
10   S        -4.3406    5.1574   13.2409  S     
11   O        -5.6859    5.3205   12.4112  O     
12   O        -3.1783    4.7838   12.2246  O     
13   C        -4.5544    3.9263   14.4440  C     
14   C        -5.3268    2.1999   16.1534  C     
15   C        -3.9489    2.1998   15.9197  C     
16   C        -3.5258    3.1562   14.9881  C     
17   S        -6.0260    3.4246   15.1713  S     
18   N        -7.6892    1.7583   17.6136  N     
19   S        -6.1772    1.1472   17.2353  S     
20   O        -6.4122   -0.2340   16.4927  O     
21   O        -5.3177    0.9067   18.5485  O     
22   H        -1.7119   10.7768   12.7286  H     
23   H        -0.4320   10.2347   16.7121  H     
24   H        -1.4951    8.0865   16.7657  H     
25   H        -2.7738    8.6341   12.7739  H     
26   H         0.4119   12.0294   13.8382  H     
27   H         0.1867   12.2871   15.5742  H     
28   H        -1.0719   12.7977   14.4395  H     
29   H        -2.1527    6.0770   14.7568  H     
30   H        -3.3887    6.7171   15.8475  H     
31   H        -4.5743    7.3907   13.7266  H     
32   H        -3.3038    1.5526   16.3775  H     
33   H        -2.5511    3.2722   14.7198  H     
34   H        -8.2634    1.2453   18.1983  H     
35   H        -7.9077    2.6791   17.4016  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    7 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    8    9 1
    10    9   10 1
    11   10   11 2
    12   10   12 2
    13   10   13 1
    14   13   16 2
    15   13   17 1
    16   14   15 2
    17   14   17 1
    18   14   19 1
    19   15   16 1
    20   18   19 am
    21   19   20 2
    22   19   21 2
    23    1   22 1
    24    3   23 1
    25    4   24 1
    26    6   25 1
    27    7   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33   15   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0796
  Crash		| -1.3540
  Polar		| 3.3054
  FragIndex	| 1
  FragRMSD	| 1.407