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


@<TRIPOS>ATOM
1    C        -3.3184    1.9911   12.4296  C     
2    C        -2.5140    3.1725   11.8092  C     
3    N        -3.3489    4.2877   11.4291  N     
4    S        -4.3297    4.9919   12.6109  S     
5    O        -3.5902    6.1193   13.4536  O     
6    O        -5.7503    5.4623   12.0645  O     
7    O        -4.1104    1.3510   11.4294  O     
8    C        -4.2109    2.3923   13.5464  C     
9    C        -4.7084    3.6962   13.6839  C     
10   C        -4.6732    1.5183   14.5518  C     
11   C        -5.5160    2.1056   15.4968  C     
12   S        -5.7128    3.7565   15.0702  S     
13   O        -6.6814   -0.0795   16.5305  O     
14   O        -5.0283    1.2391   18.0052  O     
15   S        -6.1774    1.3767   16.9150  S     
16   N        -7.5038    2.2211   17.5050  N     
17   C        -3.2811    4.8577   10.1912  C     
18   C        -2.0992    5.5062    9.7574  C     
19   C        -2.0351    6.0867    8.4790  C     
20   C        -3.1431    6.0189    7.6123  C     
21   C        -4.3277    5.3875    8.0434  C     
22   C        -4.3903    4.8050    9.3217  C     
23   O        -3.0942    6.6022    6.3766  O     
24   C        -2.8324    5.6760    5.3115  C     
25   H        -2.6029    1.2546   12.7991  H     
26   H        -1.7845    3.5290   12.5422  H     
27   H        -1.9507    2.7874   10.9558  H     
28   H        -4.5479    2.0754   10.9363  H     
29   H        -4.3997    0.5292   14.5965  H     
30   H        -8.2092    1.7246   17.9476  H     
31   H        -7.6791    3.1298   17.2052  H     
32   H        -1.2854    5.5595   10.3735  H     
33   H        -1.1803    6.5582    8.1761  H     
34   H        -5.1396    5.3440    7.4255  H     
35   H        -5.2474    4.3245    9.6078  H     
36   H        -1.8549    5.2063    5.4264  H     
37   H        -2.8338    6.2302    4.3744  H     
38   H        -3.6037    4.9060    5.2553  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	| 4.8820
  Crash		| -0.5807
  Polar		| 4.1378
  FragIndex	| 1
  FragRMSD	| 1.228