@<TRIPOS>MOLECULE
BindingDB_11641
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.0150   10.3665   11.5366  C     
2    C        -3.8261    9.6313   11.4596  C     
3    C        -3.7947    8.2491   11.7527  C     
4    C        -6.1758    8.2929   12.1666  C     
5    C        -6.1831    9.6820   11.8934  C     
6    C        -5.0152   11.8180   11.2405  C     
7    C        -7.5536    7.7777   12.4879  C     
8    C        -2.4172    7.6646   11.6331  C     
9    N        -4.9694    7.5925   12.1199  N     
10   C        -4.8799    6.1965   12.5564  C     
11   C        -4.3223    6.1024   14.0153  C     
12   C        -4.7557    4.8806   14.7483  C     
13   C        -6.0983    4.7617   15.1736  C     
14   C        -6.5405    3.6147   15.8499  C     
15   C        -4.3019    2.6822   15.7272  C     
16   C        -3.8587    3.8299   15.0498  C     
17   C        -5.6472    2.5622   16.1190  C     
18   N        -7.8238    0.9898   17.2098  N     
19   S        -6.1816    1.1181   16.9312  S     
20   O        -5.8823   -0.0776   15.9280  O     
21   O        -5.3414    0.8555   18.2528  O     
22   H        -2.9627   10.1279   11.1972  H     
23   H        -7.0599   10.2189   11.9496  H     
24   H        -4.3239   12.3267   11.9115  H     
25   H        -6.0036   12.2614   11.3653  H     
26   H        -4.6940   11.9755   10.2116  H     
27   H        -7.9132    8.2509   13.4052  H     
28   H        -7.6577    6.7078   12.6258  H     
29   H        -8.2320    8.0312   11.6683  H     
30   H        -2.0262    7.8473   10.6293  H     
31   H        -2.3390    6.5976   11.8052  H     
32   H        -1.7552    8.1531   12.3513  H     
33   H        -5.8187    5.6596   12.5069  H     
34   H        -4.2641    5.6079   11.8846  H     
35   H        -3.2326    6.1495   13.9716  H     
36   H        -4.6548    6.9689   14.5910  H     
37   H        -6.7642    5.5181   14.9915  H     
38   H        -7.5185    3.5660   16.1474  H     
39   H        -3.6308    1.9352   15.9340  H     
40   H        -2.8764    3.8932   14.7713  H     
41   H        -8.2348    0.1067   17.2519  H     
42   H        -8.3921    1.7749   17.1535  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 2
     3    1    6 1
     4    2    3 2
     5    3    8 1
     6    3    9 1
     7    4    5 1
     8    4    7 1
     9    4    9 2
    10    9   10 1
    11   10   11 1
    12   11   12 1
    13   12   13 2
    14   12   16 1
    15   13   14 1
    16   14   17 2
    17   15   16 2
    18   15   17 1
    19   17   19 1
    20   18   19 am
    21   19   20 2
    22   19   21 2
    23    2   22 1
    24    5   23 1
    25    6   24 1
    26    6   25 1
    27    6   26 1
    28    7   27 1
    29    7   28 1
    30    7   29 1
    31    8   30 1
    32    8   31 1
    33    8   32 1
    34   10   33 1
    35   10   34 1
    36   11   35 1
    37   11   36 1
    38   13   37 1
    39   14   38 1
    40   15   39 1
    41   16   40 1
    42   18   41 1
    43   18   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1620
  Crash		| -1.3376
  Polar		| 2.6226
  FragIndex	| 1
  FragRMSD	| 0.849