@<TRIPOS>MOLECULE
BindingDB_11933
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.1270    3.8757   14.4538  C     
2    C        -3.2649    5.1733   13.6077  C     
3    N        -3.8707    6.2647   14.3294  N     
4    S        -5.4464    5.9941   14.8914  S     
5    O        -5.8275    6.8009   16.2071  O     
6    O        -6.5560    6.1043   13.7542  O     
7    O        -2.7626    2.8344   13.5450  O     
8    C        -4.3445    3.4844   15.2102  C     
9    C        -5.4330    4.3453   15.4071  C     
10   C        -4.5026    2.2378   15.8503  C     
11   C        -5.7267    2.0769   16.5053  C     
12   S        -6.6280    3.5308   16.3321  S     
13   O        -6.0348   -0.6228   16.4913  O     
14   O        -5.3356    0.5386   18.6774  O     
15   S        -6.2357    0.6774   17.3788  S     
16   N        -7.8442    0.7766   17.8401  N     
17   C        -3.2843    7.5002   14.4390  C     
18   C        -3.0475    8.0893   15.7042  C     
19   C        -2.3865    9.3309   15.8056  C     
20   C        -1.9807   10.0184   14.6418  C     
21   C        -2.1926    9.4282   13.3800  C     
22   C        -2.8355    8.1828   13.2831  C     
23   O        -1.3697   11.2433   14.7403  O     
24   C        -2.2550   12.3475   14.4796  C     
25   H        -2.3135    4.0030   15.1731  H     
26   H        -2.2636    5.4348   13.2557  H     
27   H        -3.8719    4.9686   12.7200  H     
28   H        -2.4096    2.1066   14.0985  H     
29   H        -3.7893    1.5078   15.8404  H     
30   H        -8.0563    0.7571   18.7900  H     
31   H        -8.5036    1.1283   17.2131  H     
32   H        -3.3312    7.6123   16.5648  H     
33   H        -2.1831    9.7240   16.7286  H     
34   H        -1.8640    9.8985   12.5318  H     
35   H        -2.9787    7.7744   12.3543  H     
36   H        -2.6220   12.3315   13.4535  H     
37   H        -1.6986   13.2709   14.6222  H     
38   H        -3.1023   12.3561   15.1652  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1    8 1
     4    2    3 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   15 1
    16   13   15 2
    17   14   15 2
    18   15   16 am
    19   17   18 2
    20   17   22 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   20   23 1
    25   21   22 2
    26   23   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    7   28 1
    31   10   29 1
    32   16   30 1
    33   16   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   22   35 1
    38   24   36 1
    39   24   37 1
    40   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5429
  Crash		| -1.7764
  Polar		| 3.4808
  FragIndex	| 1
  FragRMSD	| 0.992