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


@<TRIPOS>ATOM
1    C        -2.4045    8.4731   15.3289  C     
2    C        -1.6093    9.2858   16.1512  C     
3    C        -0.3192    9.6582   15.7386  C     
4    C         0.1790    9.2035   14.5037  C     
5    C        -0.6106    8.3704   13.6877  C     
6    C        -1.9129    7.9892   14.0896  C     
7    C        -2.7794    7.1574   13.2163  C     
8    N        -3.2805    6.0115   13.9210  N     
9    C        -4.5356    5.7854   14.3031  C     
10   O        -5.3907    6.6275   14.0416  O     
11   C        -4.9000    4.6358   15.0159  C     
12   C        -3.9599    3.6479   15.4081  C     
13   C        -6.2530    4.4050   15.3636  C     
14   C        -6.6476    3.2419   16.0335  C     
15   C        -5.7036    2.2588   16.3936  C     
16   C        -4.3536    2.4733   16.0830  C     
17   S        -6.2112    0.7874   17.1658  S     
18   O        -5.9546   -0.4160   16.1644  O     
19   O        -5.3593    0.5722   18.4892  O     
20   N        -7.8488    0.7462   17.5047  N     
21   H        -3.3442    8.2266   15.6511  H     
22   H        -1.9701    9.6057   17.0496  H     
23   H         0.2552   10.2561   16.3381  H     
24   H         1.1174    9.4807   14.2011  H     
25   H        -0.2331    8.0659   12.7868  H     
26   H        -3.5816    7.7943   12.8327  H     
27   H        -2.2293    6.7839   12.3490  H     
28   H        -2.6170    5.3576   14.1793  H     
29   H        -2.9664    3.7568   15.2065  H     
30   H        -6.9878    5.0751   15.1259  H     
31   H        -7.6400    3.1261   16.2410  H     
32   H        -3.6427    1.7777   16.3307  H     
33   H        -8.2471   -0.0424   17.8867  H     
34   H        -8.3993    1.5269   17.3129  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	| 5.5631
  Crash		| -1.3181
  Polar		| 2.6522
  FragIndex	| 1
  FragRMSD	| 0.889