@<TRIPOS>MOLECULE
BindingDB_11931
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7163    5.8426   13.8704  C     
2    N        -2.8267    5.3202   13.1501  N     
3    S        -4.4301    5.6124   13.5847  S     
4    O        -5.2932    5.4603   12.2588  O     
5    O        -4.6475    7.1387   13.9725  O     
6    C        -5.1717    4.5399   14.7257  C     
7    C        -6.0154    2.6108   16.1811  C     
8    C        -6.7150    3.8042   16.3503  C     
9    C        -6.2482    4.8597   15.5503  C     
10   S        -4.8000    2.8843   14.9949  S     
11   N        -7.8571    1.0723   17.6663  N     
12   S        -6.3103    1.1173   17.0113  S     
13   O        -6.1432   -0.1012   16.0125  O     
14   O        -5.2501    0.9930   18.1892  O     
15   C        -1.7660    7.3072   14.0362  C     
16   C        -1.9025    8.2620   13.0196  C     
17   C        -1.9406    9.5925   13.4621  C     
18   C        -1.8276    9.7448   14.8470  C     
19   S        -1.6965    8.1686   15.5286  S     
20   H        -1.6548    5.3543   14.8433  H     
21   H        -0.8118    5.5955   13.3159  H     
22   H        -2.6612    4.8488   12.3173  H     
23   H        -7.4982    3.9060   16.9968  H     
24   H        -6.6760    5.7848   15.5657  H     
25   H        -8.0911    0.3595   18.2881  H     
26   H        -8.4796    1.8085   17.5071  H     
27   H        -1.9687    8.0108   12.0301  H     
28   H        -2.0380   10.3888   12.8290  H     
29   H        -1.8339   10.6250   15.3689  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   15 1
     3    2    3 1
     4    3    4 2
     5    3    5 2
     6    3    6 1
     7    6    9 2
     8    6   10 1
     9    7    8 2
    10    7   10 1
    11    7   12 1
    12    8    9 1
    13   11   12 am
    14   12   13 2
    15   12   14 2
    16   15   16 2
    17   15   19 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21    1   20 1
    22    1   21 1
    23    2   22 1
    24    8   23 1
    25    9   24 1
    26   11   25 1
    27   11   26 1
    28   16   27 1
    29   17   28 1
    30   18   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5129
  Crash		| -1.4013
  Polar		| 3.0792
  FragIndex	| 1
  FragRMSD	| 1.466