@<TRIPOS>MOLECULE
BindingDB_11932
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.5816    8.1791   14.2658  C     
2    C        -2.4343    7.6100   15.5348  C     
3    C        -1.4995    8.2542   16.3641  C     
4    C        -0.8988    9.3786   15.7920  C     
5    S        -1.5508    9.5525   14.2122  S     
6    C        -3.4648    7.7248   13.1802  C     
7    C        -2.8628    4.1635   14.1335  C     
8    C        -2.9807    5.2565   13.0235  C     
9    N        -3.8706    6.3510   13.3292  N     
10   S        -5.4620    5.9410   13.7186  S     
11   O        -6.1386    6.9627   14.7331  O     
12   O        -6.3560    5.6913   12.4295  O     
13   O        -2.2461    3.0302   13.5177  O     
14   C        -4.1402    3.7513   14.7758  C     
15   C        -5.3321    4.4732   14.6269  C     
16   C        -4.2760    2.6344   15.6307  C     
17   C        -5.5622    2.4328   16.1413  C     
18   S        -6.5589    3.7057   15.5513  S     
19   O        -6.0547   -0.2555   16.3059  O     
20   O        -5.0569    0.9657   18.3086  O     
21   S        -6.0952    1.1076   17.1188  S     
22   N        -7.6165    1.3349   17.7961  N     
23   H        -2.9621    6.7931   15.8461  H     
24   H        -1.2814    7.9242   17.3069  H     
25   H        -0.1828    9.9703   16.2239  H     
26   H        -4.3113    8.4052   13.1426  H     
27   H        -2.9517    7.8350   12.2226  H     
28   H        -2.2034    4.5289   14.9274  H     
29   H        -1.9691    5.6265   12.8260  H     
30   H        -3.3145    4.7780   12.0934  H     
31   H        -2.0914    2.3849   14.2355  H     
32   H        -3.5002    1.9950   15.8519  H     
33   H        -7.7975    0.9838   18.6855  H     
34   H        -8.2948    1.8593   17.3279  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    6    9 1
     8    7    8 1
     9    7   13 1
    10    7   14 1
    11    8    9 1
    12    9   10 1
    13   10   11 2
    14   10   12 2
    15   10   15 1
    16   14   15 2
    17   14   16 1
    18   15   18 1
    19   16   17 2
    20   17   18 1
    21   17   21 1
    22   19   21 2
    23   20   21 2
    24   21   22 am
    25    2   23 1
    26    3   24 1
    27    4   25 1
    28    6   26 1
    29    6   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33   13   31 1
    34   16   32 1
    35   22   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1805
  Crash		| -2.5812
  Polar		| 4.1613
  FragIndex	| 1
  FragRMSD	| 1.094