@<TRIPOS>MOLECULE
BindingDB_12013
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.6171    8.3284   13.2997  C     
2    C         0.3432    8.9763   14.0946  C     
3    C        -0.0174    9.5189   15.3413  C     
4    C        -1.3441    9.4200   15.7873  C     
5    C        -2.3091    8.7684   14.9955  C     
6    C        -1.9619    8.2085   13.7422  C     
7    C        -2.9977    7.5545   12.9051  C     
8    N        -3.4325    6.3405   13.5338  N     
9    C        -4.6737    6.0124   13.9000  C     
10   O        -5.5675    6.8051   13.6372  O     
11   C        -4.9780    4.8360   14.5922  C     
12   C        -6.3264    4.5283   14.9330  C     
13   C        -3.9785    3.9201   15.0171  C     
14   C        -4.3092    2.7368   15.7092  C     
15   C        -5.6550    2.4511   16.0224  C     
16   C        -6.6550    3.3608   15.6406  C     
17   S        -6.0597    1.0010   16.9064  S     
18   O        -5.8140   -0.2398   15.9512  O     
19   O        -5.1485    0.8693   18.2026  O     
20   N        -7.6714    0.8712   17.3733  N     
21   H        -0.3360    7.9414   12.3981  H     
22   H         1.3068    9.0538   13.7660  H     
23   H         0.6852    9.9894   15.9184  H     
24   H        -1.6100    9.8202   16.6924  H     
25   H        -3.2723    8.7089   15.3405  H     
26   H        -3.8030    8.2772   12.7525  H     
27   H        -2.6135    7.2857   11.9169  H     
28   H        -2.7379    5.6919   13.7216  H     
29   H        -7.0925    5.1490   14.6622  H     
30   H        -2.9886    4.0920   14.8307  H     
31   H        -3.5671    2.0913   15.9896  H     
32   H        -7.6395    3.1845   15.8670  H     
33   H        -8.0160    0.0069   17.6603  H     
34   H        -8.2697    1.6351   17.2922  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 am
    10    9   10 2
    11    9   11 1
    12   11   12 1
    13   11   13 2
    14   12   16 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18   15   17 1
    19   17   18 2
    20   17   19 2
    21   17   20 am
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8316
  Crash		| -1.2858
  Polar		| 2.3178
  FragIndex	| 1
  FragRMSD	| 1.016