@<TRIPOS>MOLECULE
BindingDB_11935
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -4.7727    2.1743   11.6408  C     
2    C        -4.7709    3.3628   10.6284  C     
3    N        -4.0095    4.5032   11.0932  N     
4    S        -4.6104    5.2017   12.5164  S     
5    O        -3.4726    5.8925   13.3866  O     
6    O        -5.8346    6.1822   12.2640  O     
7    C        -5.1185    2.5448   13.0398  C     
8    C        -5.1221    3.8698   13.4904  C     
9    C        -5.4083    1.6125   14.0595  C     
10   C        -5.6848    2.1820   15.3113  C     
11   S        -5.5217    3.8863   15.1595  S     
12   O        -6.5683   -0.0861   16.5017  O     
13   O        -4.6703    1.2660   17.6526  O     
14   S        -6.0147    1.3714   16.8096  S     
15   N        -7.1940    2.1623   17.7090  N     
16   C        -2.8530    4.9655   10.4830  C     
17   C        -2.4911    6.3380   10.5006  C     
18   C        -1.2819    6.7983    9.9417  C     
19   C        -0.4235    5.8828    9.2989  C     
20   C        -0.7773    4.5265    9.2240  C     
21   C        -1.9657    4.0712    9.8254  C     
22   O        -0.9082    8.1015   10.1260  O     
23   C        -1.1094    8.9407    8.9792  C     
24   H        -5.4985    1.4330   11.2869  H     
25   H        -3.7837    1.7026   11.6454  H     
26   H        -4.4217    2.9979    9.6602  H     
27   H        -5.8009    3.6909   10.4658  H     
28   H        -5.4111    0.5995   13.9017  H     
29   H        -7.7519    1.6482   18.3133  H     
30   H        -7.4446    3.0737   17.4782  H     
31   H        -3.1048    7.0226   10.9424  H     
32   H         0.4610    6.2041    8.9029  H     
33   H        -0.1464    3.8605    8.7652  H     
34   H        -2.1537    3.0668    9.8045  H     
35   H        -0.4666    8.6389    8.1480  H     
36   H        -0.8472    9.9627    9.2559  H     
37   H        -2.1540    8.9332    8.6540  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    3   16 1
     6    4    5 2
     7    4    6 2
     8    4    8 1
     9    7    8 2
    10    7    9 1
    11    8   11 1
    12    9   10 2
    13   10   11 1
    14   10   14 1
    15   12   14 2
    16   13   14 2
    17   14   15 am
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    9   28 1
    31   15   29 1
    32   15   30 1
    33   17   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6583
  Crash		| -0.9555
  Polar		| 3.7224
  FragIndex	| 1
  FragRMSD	| 1.401