@<TRIPOS>MOLECULE
BindingDB_11392
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.3669    1.9793   12.3089  C     
2    N        -3.4289    4.2984   11.2611  N     
3    S        -4.4887    4.9354   12.4163  S     
4    O        -5.8971    5.3705   11.8233  O     
5    O        -3.8100    6.0856   13.2777  O     
6    C        -4.2790    2.3719   13.4222  C     
7    C        -4.8164    3.6611   13.5331  C     
8    C        -4.6455    1.5457   14.5073  C     
9    C        -5.5035    2.1415   15.4371  C     
10   S        -5.7874    3.7608   14.9449  S     
11   N        -7.4202    2.2351   17.5682  N     
12   S        -6.1106    1.4328   16.8917  S     
13   O        -6.6000   -0.0398   16.5428  O     
14   O        -4.9422    1.2679   17.9533  O     
15   N        -3.6148    0.5860   11.9077  N     
16   C        -3.4759    2.8716   11.0304  C     
17   C        -2.7388    5.2014   10.3724  C     
18   C        -3.6515    6.0525    9.4394  C     
19   C        -4.6353    5.2535    8.5459  C     
20   C        -4.1267    5.4544    6.1584  C     
21   O        -3.9812    4.7077    7.3787  O     
22   H        -2.3419    2.0327   12.6829  H     
23   H        -4.3090    0.5860   14.6144  H     
24   H        -8.2736    1.7810   17.6522  H     
25   H        -7.3637    3.1892   17.7417  H     
26   H        -3.5179   -0.0307   12.7150  H     
27   H        -2.9423    0.3040   11.1931  H     
28   H        -4.5604    0.5009   11.5326  H     
29   H        -2.6621    2.5635   10.3654  H     
30   H        -4.4144    2.6517   10.5133  H     
31   H        -2.1324    5.8855   10.9786  H     
32   H        -2.0331    4.6535    9.7461  H     
33   H        -4.2385    6.7275   10.0589  H     
34   H        -3.0176    6.6750    8.8033  H     
35   H        -5.0537    4.4239    9.1211  H     
36   H        -5.4705    5.9052    8.2636  H     
37   H        -5.1697    5.4472    5.8416  H     
38   H        -3.5279    4.9809    5.3789  H     
39   H        -3.7908    6.4862    6.2713  H     
@<TRIPOS>BOND
     1    1    6 1
     2    1   15 1
     3    1   16 1
     4    2    3 1
     5    2   16 1
     6    2   17 1
     7    3    4 2
     8    3    5 2
     9    3    7 1
    10    6    7 2
    11    6    8 1
    12    7   10 1
    13    8    9 2
    14    9   10 1
    15    9   12 1
    16   11   12 am
    17   12   13 2
    18   12   14 2
    19   17   18 1
    20   18   19 1
    21   19   21 1
    22   20   21 1
    23    1   22 1
    24    8   23 1
    25   11   24 1
    26   11   25 1
    27   15   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   20   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4257
  Crash		| -0.5142
  Polar		| 5.3041
  FragIndex	| 1
  FragRMSD	| 1.199