@<TRIPOS>MOLECULE
BindingDB_11933
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2417    3.8035   14.4205  C     
2    C        -3.3485    5.0730   13.5223  C     
3    N        -3.9302    6.2058   14.1996  N     
4    S        -5.4802    6.0121   14.8449  S     
5    O        -5.7384    6.8704   16.1607  O     
6    O        -6.6252    6.2300   13.7587  O     
7    O        -2.8487    2.7128   13.5851  O     
8    C        -4.4789    3.4569   15.1713  C     
9    C        -5.5276    4.3672   15.3696  C     
10   C        -4.6894    2.2223   15.8210  C     
11   C        -5.9043    2.1168   16.5027  C     
12   S        -6.7334    3.6135   16.3299  S     
13   O        -6.5927    1.2422   18.9397  O     
14   O        -7.9882    0.5136   16.8919  O     
15   S        -6.5135    0.7875   17.4187  S     
16   N        -5.6166   -0.6261   17.2730  N     
17   C        -3.3648    7.4531   14.1576  C     
18   C        -2.8745    8.0589   15.3337  C     
19   C        -2.2864    9.3361   15.2871  C     
20   C        -2.1907   10.0334   14.0672  C     
21   C        -2.6459    9.4182   12.8832  C     
22   C        -3.2366    8.1404   12.9320  C     
23   O        -1.6388   11.2809   14.0474  O     
24   C        -2.6251   12.3310   14.0689  C     
25   H        -2.4406    3.9654   15.1504  H     
26   H        -2.3486    5.3037   13.1417  H     
27   H        -3.9793    4.8507   12.6594  H     
28   H        -3.5799    2.5957   12.9355  H     
29   H        -4.0058    1.4607   15.8004  H     
30   H        -5.9189   -1.4457   17.7044  H     
31   H        -4.7366   -0.6002   16.8612  H     
32   H        -2.9295    7.5617   16.2284  H     
33   H        -1.9391    9.7609   16.1506  H     
34   H        -2.5544    9.9054   11.9865  H     
35   H        -3.5763    7.7126   12.0611  H     
36   H        -3.1768   12.3608   13.1266  H     
37   H        -2.1001   13.2822   14.1898  H     
38   H        -3.3292   12.2252   14.9009  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1    8 1
     4    2    3 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   15 1
    16   13   15 2
    17   14   15 2
    18   15   16 am
    19   17   18 2
    20   17   22 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   20   23 1
    25   21   22 2
    26   23   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    7   28 1
    31   10   29 1
    32   16   30 1
    33   16   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   22   35 1
    38   24   36 1
    39   24   37 1
    40   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2755
  Crash		| -1.1970
  Polar		| 0.2414
  FragIndex	| 1
  FragRMSD	| 0.858