@<TRIPOS>MOLECULE
BindingDB_11938
 35 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.6537    4.0636   14.9033  C     
2    C        -2.4468    5.2017   14.2208  C     
3    N        -3.4010    6.1072   13.8699  N     
4    S        -5.0479    5.7507   14.0573  S     
5    O        -5.7943    6.7889   15.0073  O     
6    O        -5.8350    5.4612   12.7023  O     
7    C        -3.9049    3.6216   15.3177  C     
8    C        -5.0789    4.2965   14.9836  C     
9    C        -4.1300    2.4628   16.0853  C     
10   C        -5.4771    2.2138   16.3805  C     
11   S        -6.4177    3.4558   15.6553  S     
12   O        -6.0264   -0.4513   16.4050  O     
13   O        -5.1897    0.5820   18.5507  O     
14   S        -6.0951    0.8718   17.2763  S     
15   N        -7.6752    1.0381   17.8104  N     
16   C        -3.0500    7.3789   13.4763  C     
17   C        -2.0702    8.1159   14.1926  C     
18   C        -1.7120    9.4276   13.8080  C     
19   C        -2.3011    9.9881   12.6587  C     
20   C        -3.2707    9.2733   11.9311  C     
21   C        -3.6473    7.9801   12.3390  C     
22   O        -0.7424   10.1578   14.4481  O     
23   C        -0.7730   10.1091   15.8970  C     
24   H        -1.8655    3.5053   15.1342  H     
25   H        -1.4990    5.4036   13.9806  H     
26   H        -3.3783    1.8438   16.3981  H     
27   H        -8.4008    1.0580   17.1661  H     
28   H        -7.8517    1.2184   18.7526  H     
29   H        -1.6090    7.7033   15.0049  H     
30   H        -2.0382   10.9286   12.3510  H     
31   H        -3.6931    9.6847   11.0932  H     
32   H        -4.3441    7.4653   11.7840  H     
33   H        -1.7838   10.2708   16.2881  H     
34   H        -0.1247   10.8944   16.2875  H     
35   H        -0.3934    9.1512   16.2578  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    3   16 1
     6    4    5 2
     7    4    6 2
     8    4    8 1
     9    7    8 2
    10    7    9 1
    11    8   11 1
    12    9   10 2
    13   10   11 1
    14   10   14 1
    15   12   14 2
    16   13   14 2
    17   14   15 am
    18   16   17 2
    19   16   21 1
    20   17   18 1
    21   18   19 2
    22   18   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26    1   24 1
    27    2   25 1
    28    9   26 1
    29   15   27 1
    30   15   28 1
    31   17   29 1
    32   19   30 1
    33   20   31 1
    34   21   32 1
    35   23   33 1
    36   23   34 1
    37   23   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8681
  Crash		| -1.8572
  Polar		| 2.7384
  FragIndex	| 1
  FragRMSD	| 0.986