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


@<TRIPOS>ATOM
1    C        -3.6424    3.6314   13.9455  C     
2    C        -3.6766    5.0396   13.2543  C     
3    N        -3.9981    6.1584   14.1108  N     
4    S        -5.4897    6.0730   14.8926  S     
5    O        -5.4844    6.8542   16.2801  O     
6    O        -6.7132    6.4953   13.9685  O     
7    C        -4.7370    3.4101   14.9518  C     
8    C        -5.6496    4.4061   15.3332  C     
9    C        -4.9106    2.2210   15.6851  C     
10   C        -6.0353    2.2002   16.5202  C     
11   S        -6.7668    3.7571   16.4736  S     
12   O        -6.5409    1.3281   19.0162  O     
13   O        -8.0894    0.5886   17.0556  O     
14   S        -6.5872    0.8704   17.4940  S     
15   N        -5.6752   -0.5252   17.2624  N     
16   C        -3.4204    7.3860   13.9291  C     
17   C        -2.9596    8.1342   15.0356  C     
18   C        -2.3160    9.3772   14.8500  C     
19   C        -2.1568    9.8943   13.5460  C     
20   C        -2.6166    9.1593   12.4367  C     
21   C        -3.2442    7.9188   12.6306  C     
22   O        -1.8889   10.1178   15.9214  O     
23   C        -0.4909    9.9430   16.2075  C     
24   N        -3.5256    2.6493   12.8166  N     
25   C        -4.0356    1.2584   12.8895  C     
26   H        -2.7093    3.5720   14.5160  H     
27   H        -2.7060    5.1897   12.7667  H     
28   H        -4.4327    5.0281   12.4596  H     
29   H        -4.2570    1.4348   15.6234  H     
30   H        -5.9844   -1.3726   17.6269  H     
31   H        -4.8141   -0.4793   16.8140  H     
32   H        -3.0712    7.7700   15.9845  H     
33   H        -1.7123   10.8051   13.4019  H     
34   H        -2.4943    9.5345   11.4889  H     
35   H        -3.5714    7.4001   11.8119  H     
36   H        -0.2894    8.9318   16.5727  H     
37   H        -0.2240   10.6544   16.9924  H     
38   H         0.1379   10.1537   15.3337  H     
39   H        -4.0333    3.0459   12.0180  H     
40   H        -2.5394    2.6257   12.5203  H     
41   H        -3.5377    0.6741   13.6598  H     
42   H        -3.8398    0.7718   11.9293  H     
43   H        -5.1131    1.2598   13.0821  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	| 3.6089
  Crash		| -1.8407
  Polar		| 0.0768
  FragIndex	| 1
  FragRMSD	| 0.881