@<TRIPOS>MOLECULE
BindingDB_11933
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.9257    3.5830   14.5004  C     
2    C        -2.5486    5.0322   14.0606  C     
3    N        -3.6284    5.7839   13.4620  N     
4    S        -5.0580    5.9178   14.3534  S     
5    O        -5.0151    7.0789   15.4398  O     
6    O        -6.3332    6.0033   13.4076  O     
7    O        -2.9619    2.7319   13.3551  O     
8    C        -4.2233    3.4386   15.2149  C     
9    C        -5.2122    4.4240   15.1940  C     
10   C        -4.6058    2.2854   15.9354  C     
11   C        -5.8794    2.3512   16.5023  C     
12   S        -6.5583    3.8696   16.0948  S     
13   O        -8.2265    1.4644   17.5666  O     
14   O        -6.5808   -0.2871   16.8021  O     
15   S        -6.6712    1.1566   17.4592  S     
16   N        -6.0660    1.0406   19.0216  N     
17   C        -3.4776    6.4878   12.2816  C     
18   C        -3.7598    7.8658   12.2127  C     
19   C        -3.5786    8.5878   10.9957  C     
20   C        -3.1066    7.9237    9.8502  C     
21   C        -2.8271    6.5448    9.9141  C     
22   C        -3.0055    5.8374   11.1186  C     
23   O        -2.9211    8.5158    8.6146  O     
24   C        -2.4871    9.8767    8.5569  C     
25   H        -2.1255    3.2409   15.1601  H     
26   H        -2.2259    5.5937   14.9391  H     
27   H        -1.6808    4.9745   13.3988  H     
28   H        -2.5238    1.9034   13.6570  H     
29   H        -4.0037    1.4642   16.0375  H     
30   H        -5.3813    0.3800   19.2387  H     
31   H        -6.3924    1.6451   19.7179  H     
32   H        -4.0854    8.3683   13.0301  H     
33   H        -3.7914    9.5776   10.9868  H     
34   H        -2.4846    6.0521    9.0892  H     
35   H        -2.8020    4.8319   11.1354  H     
36   H        -3.2442   10.5492    8.9539  H     
37   H        -2.3326   10.1444    7.4927  H     
38   H        -1.5427   10.0173    9.0719  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    1    8 1
     4    2    3 1
     5    3    4 1
     6    3   17 1
     7    4    5 2
     8    4    6 2
     9    4    9 1
    10    8    9 2
    11    8   10 1
    12    9   12 1
    13   10   11 2
    14   11   12 1
    15   11   15 1
    16   13   15 2
    17   14   15 2
    18   15   16 am
    19   17   18 2
    20   17   22 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24   20   23 1
    25   21   22 2
    26   23   24 1
    27    1   25 1
    28    2   26 1
    29    2   27 1
    30    7   28 1
    31   10   29 1
    32   16   30 1
    33   16   31 1
    34   18   32 1
    35   19   33 1
    36   21   34 1
    37   22   35 1
    38   24   36 1
    39   24   37 1
    40   24   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3497
  Crash		| -1.7848
  Polar		| 4.0976
  FragIndex	| 1
  FragRMSD	| 0.845