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


@<TRIPOS>ATOM
1    C        -3.3768    3.4085   14.3754  C     
2    C        -3.4347    4.4377   13.5061  C     
3    N        -4.5342    5.1915   13.2588  N     
4    S        -5.8630    5.1667   14.3114  S     
5    O        -5.8693    6.3526   15.3680  O     
6    O        -7.2527    5.0338   13.5518  O     
7    C        -4.4602    2.9761   15.1295  C     
8    C        -5.6571    3.6959   15.1859  C     
9    C        -4.5059    1.7763   15.8704  C     
10   C        -5.7352    1.5253   16.4944  C     
11   S        -6.7847    2.8446   16.1615  S     
12   O        -5.6932    0.4529   18.9013  O     
13   O        -7.7606   -0.0230   17.3838  O     
14   S        -6.1768    0.1305   17.4200  S     
15   N        -5.4322   -1.2706   16.8601  N     
16   C        -4.6997    5.8159   12.0528  C     
17   C        -4.9184    7.2091   11.9804  C     
18   C        -5.1483    7.8430   10.7425  C     
19   C        -5.1357    7.0801    9.5580  C     
20   C        -4.9250    5.6911    9.6155  C     
21   C        -4.7099    5.0632   10.8559  C     
22   O        -5.3146    9.1996   10.6802  O     
23   C        -6.6583    9.6263   10.9597  C     
24   H        -2.5283    2.8942   14.4361  H     
25   H        -2.6168    4.6101   12.9612  H     
26   H        -3.7199    1.1237   15.9256  H     
27   H        -5.5210   -2.1077   17.3493  H     
28   H        -4.9261   -1.2477   16.0295  H     
29   H        -4.9090    7.7681   12.8345  H     
30   H        -5.2852    7.5355    8.6554  H     
31   H        -4.9316    5.1368    8.7577  H     
32   H        -4.5803    4.0506   10.8881  H     
33   H        -7.3565    9.2558   10.2067  H     
34   H        -6.6785   10.7161   10.9360  H     
35   H        -6.9842    9.3041   11.9512  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	| 2.5402
  Crash		| -2.9238
  Polar		| 0.8818
  FragIndex	| 1
  FragRMSD	| 0.572