@<TRIPOS>MOLECULE
BindingDB_11936
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.5605    3.3010   13.4978  C     
2    C        -4.0516    4.1887   12.3086  C     
3    N        -4.2058    5.5789   12.6799  N     
4    S        -5.1631    5.9228   14.0371  S     
5    O        -4.4224    6.9259   15.0250  O     
6    O        -6.6346    6.3944   13.6595  O     
7    C        -4.5637    3.2843   14.6064  C     
8    C        -5.2951    4.4390   14.9200  C     
9    C        -4.9143    2.1811   15.4159  C     
10   C        -5.9477    2.4253   16.3263  C     
11   S        -6.4289    4.0648   16.1525  S     
12   O        -8.2559    1.6514   17.5187  O     
13   O        -6.7405   -0.1741   16.7516  O     
14   S        -6.7168    1.2849   17.3769  S     
15   N        -6.0881    1.1722   18.9274  N     
16   C        -3.6299    6.5971   11.9570  C     
17   C        -4.3760    7.7386   11.5738  C     
18   C        -3.7969    8.7599   10.7924  C     
19   C        -2.4675    8.6272   10.3554  C     
20   C        -1.7105    7.5020   10.7247  C     
21   C        -2.2845    6.5017   11.5273  C     
22   O        -4.5265    9.8446   10.3867  O     
23   C        -5.0293   10.6403   11.4736  C     
24   N        -3.0900    1.9668   13.0367  N     
25   C        -4.0599    1.0398   12.4148  C     
26   H        -2.6708    3.7869   13.9081  H     
27   H        -3.3628    4.0676   11.4666  H     
28   H        -5.0262    3.8261   11.9670  H     
29   H        -4.4762    1.2621   15.3296  H     
30   H        -6.4421    1.7407   19.6304  H     
31   H        -5.4335    0.4932   19.1376  H     
32   H        -5.3588    7.8222   11.8398  H     
33   H        -2.0468    9.3505    9.7702  H     
34   H        -0.7412    7.4130   10.4123  H     
35   H        -1.7132    5.6967   11.7953  H     
36   H        -5.7799   10.0894   12.0372  H     
37   H        -5.5068   11.5266   11.0562  H     
38   H        -4.2318   10.9653   12.1447  H     
39   H        -2.3513    2.1270   12.3473  H     
40   H        -2.6580    1.4970   13.8337  H     
41   H        -4.9441    0.8998   13.0374  H     
42   H        -3.5759    0.0725   12.2783  H     
43   H        -4.3668    1.4098   11.4359  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   24 1
     4    2    3 1
     5    3    4 1
     6    3   16 1
     7    4    5 2
     8    4    6 2
     9    4    8 1
    10    7    8 2
    11    7    9 1
    12    8   11 1
    13    9   10 2
    14   10   11 1
    15   10   14 1
    16   12   14 2
    17   13   14 2
    18   14   15 am
    19   16   17 2
    20   16   21 1
    21   17   18 1
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26   22   23 1
    27   24   25 1
    28    1   26 1
    29    2   27 1
    30    2   28 1
    31    9   29 1
    32   15   30 1
    33   15   31 1
    34   17   32 1
    35   19   33 1
    36   20   34 1
    37   21   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   25   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3503
  Crash		| -1.0436
  Polar		| 3.6815
  FragIndex	| 1
  FragRMSD	| 1.225