@<TRIPOS>MOLECULE
BindingDB_11934
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -3.2284    2.2073   12.3637  C     
2    C        -3.4203    3.0619   11.0679  C     
3    N        -3.4253    4.4823   11.3201  N     
4    S        -4.5507    5.0621   12.4488  S     
5    O        -5.9508    5.4616   11.8041  O     
6    O        -3.9370    6.2144   13.3634  O     
7    C        -4.2561    2.4795   13.4097  C     
8    C        -4.8620    3.7384   13.5230  C     
9    C        -4.5960    1.6199   14.4764  C     
10   C        -5.5034    2.1518   15.3981  C     
11   S        -5.8716    3.7550   14.9131  S     
12   O        -6.5808   -0.0583   16.5893  O     
13   O        -4.8338    1.2256   17.8581  O     
14   S        -6.0555    1.4152   16.8581  S     
15   N        -7.2614    2.2563   17.6713  N     
16   C        -2.7819    5.4194   10.4285  C     
17   C        -3.6735    5.8075    9.2276  C     
18   O        -3.9819    4.6445    8.4356  O     
19   C        -5.2275    4.7125    7.6966  C     
20   N        -3.0201    0.7664   12.0542  N     
21   C        -3.8947    0.0466   11.0918  C     
22   C        -5.3998    0.0343   11.4280  C     
23   H        -2.2829    2.5348   12.8117  H     
24   H        -2.6151    2.8036   10.3720  H     
25   H        -4.3756    2.8030   10.5965  H     
26   H        -4.1883    0.6887   14.5930  H     
27   H        -8.1998    2.0559   17.4955  H     
28   H        -7.0324    3.0440   18.2013  H     
29   H        -2.5190    6.3325   10.9618  H     
30   H        -1.8506    4.9984   10.0476  H     
31   H        -4.5810    6.2889    9.6035  H     
32   H        -3.1532    6.5272    8.5904  H     
33   H        -6.0777    4.7696    8.3971  H     
34   H        -5.3273    3.7952    7.1018  H     
35   H        -5.2458    5.5775    7.0130  H     
36   H        -2.0684    0.6852   11.6848  H     
37   H        -3.0463    0.2518   12.9341  H     
38   H        -3.7581    0.4595   10.0867  H     
39   H        -3.5470   -0.9898   11.0688  H     
40   H        -5.5610   -0.3757   12.4283  H     
41   H        -5.9257   -0.5954   10.7080  H     
42   H        -5.8121    1.0439   11.3772  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1   20 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 1
    20   17   18 1
    21   18   19 1
    22   20   21 1
    23   21   22 1
    24    1   23 1
    25    2   24 1
    26    2   25 1
    27    9   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   19   33 1
    35   19   34 1
    36   19   35 1
    37   20   36 1
    38   20   37 1
    39   21   38 1
    40   21   39 1
    41   22   40 1
    42   22   41 1
    43   22   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3632
  Crash		| -0.9553
  Polar		| 5.1715
  FragIndex	| 1
  FragRMSD	| 1.279