@<TRIPOS>MOLECULE
BindingDB_50292724
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -22.3696  -34.2270   15.9978  C     
2    C       -23.6131  -33.9114   16.4099  C     
3    N       -23.9035  -33.7245   17.7325  N     
4    C       -22.9013  -33.8777   18.6316  C     
5    N       -21.6690  -34.1815   18.2224  N     
6    C       -21.3932  -34.3722   16.9315  C     
7    O       -20.2497  -34.6616   16.6034  O     
8    O       -23.0401  -33.7383   19.8387  O     
9    C       -25.2768  -33.4695   18.1500  C     
10   O       -26.2453  -34.2902   17.4780  O     
11   C       -27.5252  -33.7641   17.8387  C     
12   C       -27.3654  -32.2325   17.8148  C     
13   C       -25.8145  -32.0411   17.8915  C     
14   O       -25.3090  -31.5164   16.6440  O     
15   O       -28.1231  -31.6907   18.9114  O     
16   C       -28.6268  -34.3232   16.8986  C     
17   O       -29.9043  -34.2098   17.5293  O     
18   P       -28.4731  -30.1732   18.9152  P     
19   O       -29.0628  -29.6980   17.5701  O     
20   O       -29.5972  -30.0112   19.9551  O     
21   O       -27.3629  -29.3378   19.3009  O     
22   H       -22.1869  -34.3914   15.0386  H     
23   H       -24.3238  -33.8291   15.7252  H     
24   H       -20.9626  -34.3033   18.8739  H     
25   H       -25.3889  -33.6774   19.2168  H     
26   H       -27.7442  -34.1004   18.8525  H     
27   H       -27.7472  -31.8299   16.8681  H     
28   H       -25.5043  -31.3486   18.6914  H     
29   H       -24.8501  -30.6666   16.8919  H     
30   H       -28.6248  -33.7817   15.9319  H     
31   H       -28.4416  -35.3848   16.6895  H     
32   H       -30.5266  -33.9995   16.7925  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 1
     5    9    3 1
     6    4    5 1
     7    4    8 2
     8    5    6 1
     9    6    7 2
    10    9   10 1
    11    9   13 1
    12   10   11 1
    13   11   12 1
    14   11   16 1
    15   12   13 1
    16   12   15 1
    17   13   14 1
    18   15   18 1
    19   16   17 1
    20   18   19 1
    21   18   20 1
    22   18   21 2
    23    1   22 1
    24    2   23 1
    25    5   24 1
    26    9   25 1
    27   11   26 1
    28   12   27 1
    29   13   28 1
    30   14   29 1
    31   16   30 1
    32   16   31 1
    33   17   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0411
  Crash		| -0.7397
  Polar		| 8.1220
  FragIndex	| 1
  FragRMSD	| 0.234