@<TRIPOS>MOLECULE
BindingDB_11047
 34 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -6.2588    3.8180   15.5043  C     
2    C        -5.6563    2.6056   15.9113  C     
3    C        -4.2755    2.4149   15.7066  C     
4    C        -3.4994    3.4439   15.1469  C     
5    C        -4.0819    4.6811   14.7839  C     
6    C        -5.4784    4.8432   14.9432  C     
7    N        -6.3269    1.4173   18.3804  N     
8    S        -6.5717    1.3585   16.7188  S     
9    O        -8.1372    1.5306   16.5067  O     
10   O        -6.1396   -0.0882   16.2216  O     
11   C        -3.2251    5.8131   14.3423  C     
12   C        -3.3691    6.1738   12.8394  C     
13   N        -4.2182    7.3078   12.6433  N     
14   C        -5.3676    7.3512   11.9780  C     
15   O        -5.9290    6.3217   11.6086  O     
16   C        -6.0357    8.6215   11.7470  C     
17   C        -5.0706    9.7546   11.3065  C     
18   S        -5.9813   11.2711   10.9434  S     
19   H        -7.2619    3.9643   15.6433  H     
20   H        -3.8201    1.5433   15.9936  H     
21   H        -2.4941    3.2881   15.0388  H     
22   H        -5.9266    5.7178   14.6895  H     
23   H        -7.0820    1.1956   18.9571  H     
24   H        -5.6114    1.9769   18.7368  H     
25   H        -3.4427    6.6910   14.9642  H     
26   H        -2.1681    5.5754   14.5162  H     
27   H        -2.3862    6.4731   12.4428  H     
28   H        -3.6899    5.2994   12.2622  H     
29   H        -3.8853    8.1528   12.9782  H     
30   H        -6.8088    8.5097   10.9789  H     
31   H        -6.5345    8.9259   12.6672  H     
32   H        -4.3495    9.9585   12.1057  H     
33   H        -4.5146    9.4651   10.4101  H     
34   H        -5.1569   12.0727   11.6921  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2    8 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   11 1
     9    7    8 am
    10    8    9 2
    11    8   10 2
    12   11   12 1
    13   12   13 1
    14   13   14 am
    15   14   15 2
    16   14   16 1
    17   16   17 1
    18   17   18 1
    19    1   19 1
    20    3   20 1
    21    4   21 1
    22    6   22 1
    23    7   23 1
    24    7   24 1
    25   11   25 1
    26   11   26 1
    27   12   27 1
    28   12   28 1
    29   13   29 1
    30   16   30 1
    31   16   31 1
    32   17   32 1
    33   17   33 1
    34   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5605
  Crash		| -1.7872
  Polar		| 3.1050
  FragIndex	| 1
  FragRMSD	| 1.378