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


@<TRIPOS>ATOM
1    C        -2.0107    8.0245   13.9218  C     
2    C        -1.4065    8.8071   14.9270  C     
3    C        -0.8352    8.1922   16.0510  C     
4    C        -0.8657    6.7851   16.1714  C     
5    C        -1.4643    6.0062   15.1615  C     
6    C        -2.0572    6.6033   14.0314  C     
7    C        -2.6618    5.7692   12.9610  C     
8    N        -3.6124    4.8679   13.5358  N     
9    C        -3.6464    3.5462   13.4546  C     
10   O        -2.8542    2.9930   12.6892  O     
11   C        -4.5352    2.7679   14.2120  C     
12   C        -4.5679    1.3556   14.0992  C     
13   C        -5.4216    3.3642   15.1547  C     
14   C        -6.2648    2.5879   15.9647  C     
15   C        -6.2499    1.1849   15.8637  C     
16   C        -5.4061    0.5735   14.9164  C     
17   S        -7.2067    0.2278   16.9569  S     
18   O        -8.5888    0.9486   17.2553  O     
19   O        -7.4729   -1.1973   16.3011  O     
20   N        -6.3932   -0.0269   18.4094  N     
21   H        -2.4246    8.4953   13.1170  H     
22   H        -1.3722    9.8276   14.8320  H     
23   H        -0.3843    8.7534   16.7783  H     
24   H        -0.4450    6.3372   16.9864  H     
25   H        -1.4551    4.9849   15.2631  H     
26   H        -3.1949    6.3901   12.2317  H     
27   H        -1.8554    5.2468   12.4386  H     
28   H        -4.3192    5.2865   14.0476  H     
29   H        -3.9491    0.8693   13.4476  H     
30   H        -5.4307    4.3723   15.3063  H     
31   H        -6.8627    3.0519   16.6482  H     
32   H        -5.3649   -0.4454   14.8411  H     
33   H        -6.7736   -0.6234   19.0803  H     
34   H        -5.6305    0.5324   18.6322  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	| 3.9431
  Crash		| -1.6212
  Polar		| 1.6522
  FragIndex	| 1
  FragRMSD	| 1.281