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


@<TRIPOS>ATOM
1    C        -2.8514    3.7292   13.5299  C     
2    C        -2.9609    4.8917   12.4910  C     
3    N        -3.6090    6.0740   13.0147  N     
4    S        -5.2199    5.8774   13.4866  S     
5    O        -5.7351    6.9563   14.5359  O     
6    O        -6.1986    5.7484   12.2395  O     
7    C        -4.0931    3.4994   14.3340  C     
8    C        -5.1915    4.3733   14.3323  C     
9    C        -4.2831    2.4093   15.2135  C     
10   C        -5.5205    2.3817   15.8620  C     
11   S        -6.4088    3.7699   15.3869  S     
12   O        -6.0415   -0.2314   16.1927  O     
13   O        -5.0871    0.9470   18.1794  O     
14   S        -6.0814    1.1614   16.9568  S     
15   N        -7.6680    1.3293   17.4765  N     
16   C        -3.0249    7.3134   13.0209  C     
17   C        -2.8710    8.0432   14.2250  C     
18   C        -2.2256    9.3008   14.2271  C     
19   C        -1.7652    9.8537   13.0162  C     
20   C        -1.9215    9.1413   11.8143  C     
21   C        -2.5485    7.8831   11.8172  C     
22   O        -2.1376   10.0285   15.3823  O     
23   C        -0.9412    9.7814   16.1422  C     
24   N        -2.4800    2.4538   12.8616  N     
25   C        -1.2438    2.4131   12.0554  C     
26   H        -2.0654    3.9909   14.2402  H     
27   H        -1.9589    5.1291   12.1346  H     
28   H        -3.5304    4.5462   11.6195  H     
29   H        -3.5843    1.6799   15.3649  H     
30   H        -8.3816    0.9315   16.9500  H     
31   H        -7.8810    1.9939   18.1512  H     
32   H        -3.2195    7.6614   15.1065  H     
33   H        -1.3215   10.7762   13.0074  H     
34   H        -1.5806    9.5391   10.9330  H     
35   H        -2.6596    7.3793   10.9346  H     
36   H        -0.8601    8.7357   16.4496  H     
37   H        -0.9886   10.3938   17.0408  H     
38   H        -0.0495   10.0653   15.5813  H     
39   H        -2.3452    1.7648   13.6027  H     
40   H        -3.2521    2.1501   12.2687  H     
41   H        -1.3876    2.9228   11.1025  H     
42   H        -0.9884    1.3711   11.8562  H     
43   H        -0.4081    2.8691   12.5931  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	| 5.9152
  Crash		| -1.8383
  Polar		| 4.4878
  FragIndex	| 1
  FragRMSD	| 1.251