@<TRIPOS>MOLECULE
BindingDB_10885
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.4787    3.4581   13.6882  C     
2    C        -3.8311    4.5537   12.6197  C     
3    S        -5.1091    6.0616   14.4310  S     
4    O        -4.5760    6.9553   15.6366  O     
5    O        -6.5262    6.5357   13.8824  O     
6    N        -3.9743    5.8803   13.1903  N     
7    C        -3.4189    7.0710   12.5744  C     
8    C        -2.6011    7.9778   13.5377  C     
9    C        -1.5184    7.2332   14.3683  C     
10   O        -0.6129    8.1508   15.0208  O     
11   C        -1.0154    8.6296   16.3159  C     
12   N        -3.1791    2.1183   13.0988  N     
13   C        -2.3603    2.0577   11.8628  C     
14   C        -1.7211    0.6699   11.6467  C     
15   C        -4.5438    3.3627   14.7336  C     
16   C        -4.9255    2.2089   15.4573  C     
17   C        -5.2978    4.4850   15.1156  C     
18   S        -6.4580    4.0360   16.2934  S     
19   C        -5.9814    2.3882   16.3566  C     
20   S        -6.7260    1.2234   17.3920  S     
21   O        -8.2301    1.6504   17.6800  O     
22   O        -6.8544   -0.2006   16.6957  O     
23   N        -5.9862    1.0353   18.8809  N     
24   H        -2.5728    3.7914   14.1988  H     
25   H        -3.0484    4.5669   11.8633  H     
26   H        -4.7644    4.2776   12.1191  H     
27   H        -2.7571    6.8072   11.7415  H     
28   H        -4.2416    7.6603   12.1462  H     
29   H        -2.1049    8.7476   12.9373  H     
30   H        -3.2868    8.4844   14.2197  H     
31   H        -1.9942    6.5552   15.0881  H     
32   H        -0.9131    6.6245   13.6879  H     
33   H        -2.0051    9.0886   16.2905  H     
34   H        -0.2982    9.3863   16.6384  H     
35   H        -1.0046    7.8158   17.0436  H     
36   H        -2.6692    1.5942   13.8125  H     
37   H        -4.0622    1.6297   12.9180  H     
38   H        -2.9877    2.2721   10.9920  H     
39   H        -1.5550    2.7944   11.9093  H     
40   H        -1.0406    0.4490   12.4666  H     
41   H        -1.1555    0.6646   10.7118  H     
42   H        -2.4890   -0.1063   11.5969  H     
43   H        -4.4679    1.3019   15.3368  H     
44   H        -5.4382    0.2543   19.0522  H     
45   H        -6.2589    1.6001   19.6237  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   12 1
     3    1   15 1
     4    2    6 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    3   17 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   12   13 1
    15   13   14 1
    16   15   16 1
    17   15   17 2
    18   16   19 2
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 2
    23   20   22 2
    24   20   23 am
    25    1   24 1
    26    2   25 1
    27    2   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33    9   32 1
    34   11   33 1
    35   11   34 1
    36   11   35 1
    37   12   36 1
    38   12   37 1
    39   13   38 1
    40   13   39 1
    41   14   40 1
    42   14   41 1
    43   14   42 1
    44   16   43 1
    45   23   44 1
    46   23   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6075
  Crash		| -1.8047
  Polar		| 3.7536
  FragIndex	| 1
  FragRMSD	| 1.139