@<TRIPOS>MOLECULE
BindingDB_26442
 40 41 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        24.2357   -3.6141   20.9319  C     
2    C        25.0035   -4.8848   20.9628  C     
3    O        24.3946   -6.0453   21.2994  O     
4    O        26.3486   -4.9191   20.8171  O     
5    C        25.1301   -2.3407   20.8776  C     
6    C        26.1544   -2.2555   19.7036  C     
7    C        27.1501   -1.1861   19.9568  C     
8    O        27.9100   -1.2017   21.0831  O     
9    O        27.2666   -0.1392   19.1014  O     
10   N        23.2995   -3.6186   19.8436  N     
11   S        21.7128   -4.1832   19.9635  S     
12   O        21.5720   -5.2012   21.1824  O     
13   O        21.4930   -5.0949   18.6787  O     
14   C        20.4857   -2.9517   20.1054  C     
15   C        19.4484   -1.1230   21.3814  C     
16   C        19.3964   -0.2643   22.4837  C     
17   C        18.4728    0.7216   22.5398  C     
18   C        17.5360    0.8871   21.5465  C     
19   C        17.5446    0.0791   20.4646  C     
20   C        18.4955   -0.9406   20.3367  C     
21   C        18.5666   -1.7535   19.1882  C     
22   C        19.5511   -2.7492   19.0724  C     
23   C        20.4293   -2.1364   21.2577  C     
24   O        16.7210    1.9561   21.5550  O     
25   C        15.5441    1.8191   22.3735  C     
26   H        23.6706   -3.5603   21.8699  H     
27   H        24.4730   -1.4615   20.8170  H     
28   H        25.6728   -2.2946   21.8302  H     
29   H        26.6896   -3.2246   19.6071  H     
30   H        25.6094   -2.0678   18.7656  H     
31   H        23.6575   -3.5040   18.9435  H     
32   H        20.0529   -0.3573   23.2230  H     
33   H        18.4725    1.3369   23.3207  H     
34   H        16.8853    0.2386   19.7400  H     
35   H        17.9167   -1.6121   18.4133  H     
36   H        19.5843   -3.3200   18.2242  H     
37   H        21.1073   -2.2832   22.0135  H     
38   H        14.9846    0.9093   22.1357  H     
39   H        14.8970    2.6766   22.1838  H     
40   H        15.8029    1.8215   23.4354  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    1   10 1
     4    2    3 2
     5    2    4 1
     6    5    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10   10   11 1
    11   11   12 2
    12   11   13 2
    13   11   14 1
    14   14   22 2
    15   14   23 1
    16   15   16 1
    17   15   20 1
    18   15   23 2
    19   16   17 2
    20   17   18 1
    21   18   19 2
    22   18   24 1
    23   19   20 1
    24   20   21 2
    25   21   22 1
    26   24   25 1
    27    1   26 1
    28    5   27 1
    29    5   28 1
    30    6   29 1
    31    6   30 1
    32   10   31 1
    33   16   32 1
    34   17   33 1
    35   19   34 1
    36   21   35 1
    37   22   36 1
    38   23   37 1
    39   25   38 1
    40   25   39 1
    41   25   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9575
  Crash		| -1.4885
  Polar		| 6.1760
  FragIndex	| 1
  FragRMSD	| 1.331