@<TRIPOS>MOLECULE
BindingDB_16506
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.9753   19.2821   -4.6516  C     
2    C        13.8243   18.0928   -6.5394  C     
3    O        14.8502   18.2645   -7.4026  O     
4    C        12.6346   17.3694   -7.0045  C     
5    C        11.3993   17.2297   -6.1279  C     
6    C        10.1409   16.7838   -6.6609  C     
7    O         9.5184   15.9353   -6.0384  O     
8    N         9.6921   17.3025   -7.7898  N     
9    C         8.4699   16.9650   -8.4539  C     
10   C         7.6473   18.1290   -8.7750  C     
11   O         7.7813   19.1209   -8.0668  O     
12   O        12.3942   16.1998   -6.2133  O     
13   C         5.2622   17.4252  -11.4809  C     
14   C         6.4815   17.0385  -10.6326  C     
15   C         5.8483   19.2642  -10.0138  C     
16   C         5.2673   18.9566  -11.4149  C     
17   N         6.7059   18.1347   -9.7341  N     
18   C         4.7901   19.4695   -8.9954  C     
19   O         3.9492   20.5244   -9.1007  O     
20   O         4.6726   18.6687   -7.9128  O     
21   C        15.0804   20.7260   -5.1810  C     
22   O        13.9026   18.5535   -5.2630  O     
23   H        15.9254   18.7612   -4.8060  H     
24   H        14.7779   19.3155   -3.5786  H     
25   H        12.5380   17.1437   -8.0695  H     
26   H        11.4029   17.6954   -5.1424  H     
27   H        10.2571   17.9603   -8.2294  H     
28   H         8.7696   16.4490   -9.3675  H     
29   H         7.8562   16.2686   -7.8749  H     
30   H         5.3503   17.0553  -12.5041  H     
31   H         4.3465   17.0313  -11.0295  H     
32   H         6.2806   16.1073  -10.0949  H     
33   H         7.3549   16.9074  -11.2780  H     
34   H         6.4400   20.1826  -10.0807  H     
35   H         5.9396   19.3495  -12.1839  H     
36   H         4.2684   19.3722  -11.5811  H     
37   H        15.3335   20.7245   -6.2431  H     
38   H        15.8570   21.2681   -4.6369  H     
39   H        14.1297   21.2403   -5.0408  H     
@<TRIPOS>BOND
     1    1   21 1
     2    1   22 1
     3    2    3 2
     4    4    2 1
     5    2   22 1
     6    4    5 1
     7    4   12 1
     8    5    6 1
     9    5   12 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14   10   11 2
    15   10   17 am
    16   13   14 1
    17   13   16 1
    18   14   17 1
    19   15   16 1
    20   15   17 1
    21   15   18 1
    22   18   19 2
    23   18   20 1
    24    1   23 1
    25    1   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29    9   28 1
    30    9   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1832
  Crash		| -0.9754
  Polar		| 2.4413
  FragIndex	| 1
  FragRMSD	| 1.097