@<TRIPOS>MOLECULE
BindingDB_11937
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.6391    3.7726   14.0453  C     
2    C        -3.8094    5.0475   13.1475  C     
3    N        -4.1199    6.2467   13.8971  N     
4    S        -5.5225    6.1879   14.8490  S     
5    O        -5.4049    6.9510   16.2425  O     
6    O        -6.8080    6.6313   14.0245  O     
7    C        -4.8694    3.5041   14.8388  C     
8    C        -5.7309    4.5233   15.2719  C     
9    C        -5.1640    2.2545   15.4169  C     
10   C        -6.2413    2.2674   16.3057  C     
11   S        -6.8591    3.8668   16.3855  S     
12   O        -8.3259    0.9450   17.4672  O     
13   O        -6.3337   -0.4277   16.7343  O     
14   S        -6.7412    0.9780   17.3427  S     
15   N        -6.0918    1.1310   18.8824  N     
16   C        -3.5144    7.4484   13.6169  C     
17   C        -2.9940    8.2720   14.6574  C     
18   C        -2.2666    9.4454   14.3576  C     
19   C        -2.0853    9.8286   13.0122  C     
20   C        -2.6242    9.0439   11.9763  C     
21   C        -3.3323    7.8630   12.2756  C     
22   O        -1.8113   10.3081   15.3243  O     
23   C        -1.1678    9.7153   16.4846  C     
24   N        -2.5467    3.7768   15.0409  N     
25   C        -1.3398    4.5975   14.7973  C     
26   H        -3.4790    2.9283   13.3683  H     
27   H        -2.8968    5.1724   12.5616  H     
28   H        -4.6175    4.8867   12.4311  H     
29   H        -4.6051    1.4185   15.2469  H     
30   H        -5.3684    0.5505   19.1686  H     
31   H        -6.4594    1.7860   19.5022  H     
32   H        -3.0933    8.0024   15.6489  H     
33   H        -1.5699   10.6755   12.7780  H     
34   H        -2.5192    9.3301   11.0076  H     
35   H        -3.7191    7.3050   11.5112  H     
36   H        -1.8963    9.1293   17.0568  H     
37   H        -0.7510   10.5100   17.1186  H     
38   H        -0.3396    9.0542   16.1739  H     
39   H        -2.9251    4.0666   15.9455  H     
40   H        -2.1979    2.8167   15.1341  H     
41   H        -0.9366    4.4009   13.8029  H     
42   H        -0.6015    4.3374   15.5478  H     
43   H        -1.5839    5.6573   14.9009  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	| 4.6123
  Crash		| -3.3720
  Polar		| 2.9919
  FragIndex	| 1
  FragRMSD	| 1.228