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


@<TRIPOS>ATOM
1    C        17.5772   26.7625   18.2573  C     
2    C        18.6647   26.2457   18.9933  C     
3    C        18.7475   26.4368   20.3879  C     
4    C        17.7110   27.0968   21.0630  C     
5    C        16.6064   27.5985   20.3576  C     
6    C        16.5508   27.5015   18.9392  C     
7    C        17.5011   26.5107   16.8836  C     
8    O        18.4504   26.8866   16.1984  O     
9    O        15.4163   27.9669   18.3282  O     
10   O        16.1886   28.8867   16.1201  O     
11   O        14.1229   29.4399   17.0119  O     
12   P        15.5966   29.2092   17.3932  P     
13   O        15.9583   30.5815   18.0987  O     
14   C        17.1272   31.2819   17.6411  C     
15   C        18.3399   30.5244   18.0216  C     
16   C        18.9832   29.6506   17.1067  C     
17   C        18.8817   30.6520   19.3249  C     
18   C        20.0644   29.9786   19.6846  C     
19   C        20.7173   29.1567   18.7541  C     
20   C        20.1660   28.9749   17.4723  C     
21   H        19.4184   25.7439   18.5067  H     
22   H        19.5550   26.0717   20.8955  H     
23   H        17.7528   27.1887   22.0705  H     
24   H        15.8464   28.0350   20.8571  H     
25   H        17.0503   25.6565   16.5897  H     
26   H        17.0878   31.5276   16.5428  H     
27   H        17.1909   32.2476   18.1483  H     
28   H        18.5904   29.4929   16.1787  H     
29   H        18.4229   31.2481   20.0144  H     
30   H        20.4675   30.1217   20.6255  H     
31   H        21.5902   28.6967   19.0102  H     
32   H        20.6390   28.3694   16.7953  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	| 4.4521
  Crash		| -0.7137
  Polar		| 4.3450
  FragIndex	| 1
  FragRMSD	| 0.866