@<TRIPOS>MOLECULE
BindingDB_25899
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.5792    6.7493   15.4326  C     
2    C        16.5451    4.2299   14.6643  C     
3    C        15.6596    4.3321   15.7633  C     
4    C        15.1947    5.6107   16.1617  C     
5    Cl       14.1866    5.8728   17.5021  Cl    
6    N        13.5411    2.8000   17.0070  N     
7    S        15.1643    2.8757   16.5919  S     
8    O        15.4245    1.5223   15.8078  O     
9    O        15.9496    2.7143   17.9618  O     
10   C        16.9550    5.3740   13.9322  C     
11   C        16.4374    6.6310   14.3264  C     
12   C        17.6479    7.7642   12.5356  C     
13   C        17.8060    5.3248   12.8169  C     
14   N        16.7551    7.7507   13.6474  N     
15   N        18.1164    6.4400   12.1226  N     
16   C        18.7762    6.3482   10.9109  C     
17   C        20.1940    6.4114   10.7800  C     
18   C        20.7667    6.3160    9.4885  C     
19   C        19.9640    6.1364    8.3505  C     
20   C        18.5693    6.0571    8.4836  C     
21   C        17.9816    6.1674    9.7544  C     
22   C        21.1189    6.5790   11.9281  C     
23   C        18.8029    8.7231   12.9175  C     
24   O        18.2270    4.2295   12.4477  O     
25   H        15.2335    7.6741   15.7088  H     
26   H        16.8880    3.3073   14.3862  H     
27   H        13.2864    2.9312   17.9311  H     
28   H        12.9144    2.3912   16.3948  H     
29   H        17.0852    8.2171   11.7129  H     
30   H        16.3784    8.5952   13.9445  H     
31   H        21.7813    6.3619    9.3680  H     
32   H        20.3940    6.0575    7.4263  H     
33   H        17.9820    5.9206    7.6579  H     
34   H        16.9631    6.1117    9.8352  H     
35   H        21.6561    7.5280   11.8324  H     
36   H        21.8486    5.7649   11.9266  H     
37   H        20.6107    6.5605   12.8934  H     
38   H        18.4127    9.7086   13.1831  H     
39   H        19.4769    8.8442   12.0730  H     
40   H        19.3661    8.3284   13.7658  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   11 2
     3    2    3 1
     4    2   10 2
     5    3    4 2
     6    3    7 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   13 1
    13   11   14 1
    14   12   14 1
    15   12   15 1
    16   12   23 1
    17   13   15 1
    18   13   24 2
    19   15   16 1
    20   16   17 1
    21   16   21 2
    22   17   18 2
    23   17   22 1
    24   18   19 1
    25   19   20 2
    26   20   21 1
    27    1   25 1
    28    2   26 1
    29    6   27 1
    30    6   28 1
    31   12   29 1
    32   14   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   22   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
    42   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4180
  Crash		| -0.7394
  Polar		| 3.8922
  FragIndex	| 1
  FragRMSD	| 1.220