@<TRIPOS>MOLECULE
BindingDB_11631
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.3909    3.9987   13.2983  C     
2    C        -5.0875    2.5205   14.9390  C     
3    S        -5.6684    4.0512   14.4679  S     
4    N        -3.6730    2.8732   13.3919  N     
5    N        -4.0706    2.0981   14.2950  N     
6    N        -7.2484    2.1888   16.7730  N     
7    S        -5.7693    1.6214   16.2154  S     
8    O        -6.0585    0.1604   15.6591  O     
9    O        -4.7405    1.4273   17.4116  O     
10   N        -4.0535    4.9113   12.3642  N     
11   S        -4.6964    6.4549   12.1389  S     
12   O        -4.9691    6.5814   10.5778  O     
13   O        -6.1219    6.6632   12.8097  O     
14   C        -3.5971    7.6928   12.6814  C     
15   C        -2.3606    9.7707   12.2937  C     
16   C        -1.7257    9.6360   13.5477  C     
17   C        -2.0329    8.5259   14.3635  C     
18   C        -2.9659    7.5640   13.9344  C     
19   C        -3.2904    8.8030   11.8673  C     
20   N        -0.8369   10.5575   13.9646  N     
21   Br       -1.1969    8.2756   16.0049  Br    
22   Br       -2.0048   11.2133   11.1677  Br    
23   H        -8.0125    1.5877   16.8116  H     
24   H        -7.3645    3.1370   16.9634  H     
25   H        -3.3110    4.6749   11.7858  H     
26   H        -3.1687    6.7612   14.5349  H     
27   H        -3.7379    8.9129   10.9551  H     
28   H        -0.4057   10.4654   14.8286  H     
29   H        -0.6260   11.3210   13.4044  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    4 2
     3    1   10 1
     4    2    3 1
     5    2    5 2
     6    2    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   11   12 2
    13   11   13 2
    14   11   14 1
    15   14   18 1
    16   14   19 2
    17   15   16 2
    18   15   19 1
    19   15   22 1
    20   16   17 1
    21   16   20 1
    22   17   18 2
    23   17   21 1
    24    6   23 1
    25    6   24 1
    26   10   25 1
    27   18   26 1
    28   19   27 1
    29   20   28 1
    30   20   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8438
  Crash		| -1.2699
  Polar		| 3.3947
  FragIndex	| 1
  FragRMSD	| 1.249