@<TRIPOS>MOLECULE
BindingDB_14688
 32 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5839   25.8204   17.9436  C     
2    C        17.1375   24.5606   18.2715  C     
3    C        17.6047   24.2902   19.5687  C     
4    C        17.5304   25.2811   20.5584  C     
5    C        16.9823   26.5426   20.2539  C     
6    C        16.5208   26.8278   18.9519  C     
7    C        16.0878   26.0553   16.6667  C     
8    O        16.8594   26.3370   15.7468  O     
9    O        16.0053   28.0820   18.7079  O     
10   O        18.0241   28.3406   17.1389  O     
11   O        15.9120   28.7854   16.3929  O     
12   P        16.8000   28.9143   17.6423  P     
13   O        16.7868   30.4522   17.9308  O     
14   C        18.0362   31.1346   18.1879  C     
15   C        18.1870   31.4960   19.6235  C     
16   C        17.2242   32.3024   20.2786  C     
17   C        19.2863   31.0104   20.3739  C     
18   C        19.3992   31.3061   21.7449  C     
19   C        18.4244   32.0915   22.3842  C     
20   C        17.3367   32.5951   21.6499  C     
21   H        17.1600   23.8124   17.5834  H     
22   H        17.9757   23.3662   19.7940  H     
23   H        17.8618   25.0808   21.5035  H     
24   H        16.9190   27.2532   20.9863  H     
25   H        15.1412   26.3317   16.5443  H     
26   H        18.9188   30.5938   17.8257  H     
27   H        17.9938   32.0433   17.5881  H     
28   H        16.4189   32.6667   19.7660  H     
29   H        20.0084   30.4382   19.9308  H     
30   H        20.1924   30.9473   22.2807  H     
31   H        18.5079   32.2956   23.3836  H     
32   H        16.6275   33.1663   22.1170  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    9 1
     9    7    8 2
    10    9   12 1
    11   10   12 2
    12   11   12 1
    13   12   13 1
    14   13   14 1
    15   14   15 1
    16   15   16 2
    17   15   17 1
    18   16   20 1
    19   17   18 2
    20   18   19 1
    21   19   20 2
    22    2   21 1
    23    3   22 1
    24    4   23 1
    25    5   24 1
    26    7   25 1
    27   14   26 1
    28   14   27 1
    29   16   28 1
    30   17   29 1
    31   18   30 1
    32   19   31 1
    33   20   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5251
  Crash		| -2.8734
  Polar		| 4.3304
  FragIndex	| 1
  FragRMSD	| 0.930