@<TRIPOS>MOLECULE
BindingDB_11935
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.0044    3.9983   14.4837  C     
2    C        -3.1399    5.2245   13.5348  C     
3    N        -3.7854    6.3432   14.1685  N     
4    S        -5.3471    6.1177   14.7722  S     
5    O        -5.6052    6.9424   16.1079  O     
6    O        -6.4900    6.3450   13.6887  O     
7    C        -4.2660    3.6114   15.1691  C     
8    C        -5.3618    4.4712   15.2954  C     
9    C        -4.4528    2.3738   15.8140  C     
10   C        -5.7009    2.2199   16.4213  C     
11   S        -6.5895    3.6729   16.1894  S     
12   O        -5.9655   -0.4303   16.4460  O     
13   O        -5.4149    0.7602   18.7094  O     
14   S        -6.2218    0.8553   17.3423  S     
15   N        -7.8783    0.8935   17.5855  N     
16   C        -3.2327    7.5863   14.1679  C     
17   C        -3.1629    8.3299   12.9669  C     
18   C        -2.5619    9.6023   12.9484  C     
19   C        -1.9812   10.1204   14.1230  C     
20   C        -2.0355    9.3847   15.3195  C     
21   C        -2.6609    8.1252   15.3443  C     
22   O        -2.5219   10.3142   11.7848  O     
23   C        -3.5560   11.3114   11.7058  C     
24   H        -2.6525    3.1521   13.8905  H     
25   H        -2.2497    4.2184   15.2414  H     
26   H        -2.1389    5.4910   13.1777  H     
27   H        -3.7281    4.9309   12.6611  H     
28   H        -3.7310    1.6526   15.8551  H     
29   H        -8.3621    0.0544   17.6263  H     
30   H        -8.3677    1.7154   17.4124  H     
31   H        -3.5590    7.9513   12.1010  H     
32   H        -1.5286   11.0323   14.1149  H     
33   H        -1.6233    9.7718   16.1746  H     
34   H        -2.6854    7.5926   16.2178  H     
35   H        -4.5436   10.8458   11.7571  H     
36   H        -3.4585   11.8188   10.7464  H     
37   H        -3.4694   12.0684   12.4910  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    3   16 1
     6    4    5 2
     7    4    6 2
     8    4    8 1
     9    7    8 2
    10    7    9 1
    11    8   11 1
    12    9   10 2
    13   10   11 1
    14   10   14 1
    15   12   14 2
    16   13   14 2
    17   14   15 am
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    9   28 1
    31   15   29 1
    32   15   30 1
    33   17   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   23   35 1
    38   23   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2929
  Crash		| -1.6257
  Polar		| 1.8085
  FragIndex	| 1
  FragRMSD	| 1.192