@<TRIPOS>MOLECULE
BindingDB_11932
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.7821    8.1146   14.4000  C     
2    C        -3.1223    8.6777   15.6335  C     
3    C        -2.0485    9.2930   16.3084  C     
4    C        -0.8308    9.2479   15.6231  C     
5    S        -1.0980    8.4094   14.1486  S     
6    C        -3.6863    7.4327   13.4609  C     
7    C        -3.3232    3.7336   14.4065  C     
8    C        -3.4499    4.9376   13.4229  C     
9    N        -4.0639    6.1319   13.9560  N     
10   S        -5.5564    5.9629   14.7379  S     
11   O        -5.7341    6.8539   16.0395  O     
12   O        -6.7794    6.0719   13.7249  O     
13   O        -2.9949    2.5973   13.6052  O     
14   C        -4.5323    3.4453   15.2223  C     
15   C        -5.5752    4.3647   15.3787  C     
16   C        -4.7504    2.2494   15.9401  C     
17   C        -5.9673    2.1955   16.6285  C     
18   S        -6.7867    3.6837   16.3842  S     
19   O        -8.0546    1.0968   18.1394  O     
20   O        -6.8420   -0.2436   16.4264  O     
21   S        -6.6051    0.8667   17.5300  S     
22   N        -5.5572    0.1089   18.5952  N     
23   H        -4.0730    8.6714   16.0071  H     
24   H        -2.1548    9.7565   17.2103  H     
25   H         0.0552    9.6506   15.9391  H     
26   H        -4.5567    8.0704   13.2948  H     
27   H        -3.1859    7.3463   12.4932  H     
28   H        -2.4883    3.9219   15.0877  H     
29   H        -2.4429    5.1563   13.0495  H     
30   H        -4.0454    4.6317   12.5589  H     
31   H        -2.5568    1.9612   14.2059  H     
32   H        -4.0913    1.4692   15.9398  H     
33   H        -5.1385   -0.7256   18.3338  H     
34   H        -5.2680    0.5687   19.3981  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    6    9 1
     8    7    8 1
     9    7   13 1
    10    7   14 1
    11    8    9 1
    12    9   10 1
    13   10   11 2
    14   10   12 2
    15   10   15 1
    16   14   15 2
    17   14   16 1
    18   15   18 1
    19   16   17 2
    20   17   18 1
    21   17   21 1
    22   19   21 2
    23   20   21 2
    24   21   22 am
    25    2   23 1
    26    3   24 1
    27    4   25 1
    28    6   26 1
    29    6   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33   13   31 1
    34   16   32 1
    35   22   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9609
  Crash		| -2.9003
  Polar		| 4.2014
  FragIndex	| 1
  FragRMSD	| 1.122