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


@<TRIPOS>ATOM
1    C        -3.1420    3.9627   14.2498  C     
2    C        -2.7862    5.4811   14.1601  C     
3    N        -3.8801    6.4128   13.9763  N     
4    S        -5.2711    6.2059   14.9026  S     
5    O        -6.6002    6.4810   14.0734  O     
6    O        -5.2461    7.1003   16.2198  O     
7    C        -4.2971    3.6533   15.1316  C     
8    C        -5.3251    4.5600   15.3984  C     
9    C        -4.5176    2.3830   15.6944  C     
10   C        -5.7195    2.2635   16.3926  C     
11   S        -6.5420    3.7759   16.3196  S     
12   O        -6.0050   -0.4075   16.3852  O     
13   O        -5.6439    0.7438   18.6903  O     
14   S        -6.3032    0.8941   17.2494  S     
15   N        -7.9710    0.9456   17.3676  N     
16   C        -3.7097    7.6380   13.2331  C     
17   C        -2.6478    8.6068   13.8160  C     
18   O        -2.9110    8.8657   15.2136  O     
19   C        -1.7287    8.9277   16.0344  C     
20   N        -3.3286    3.2836   12.9413  N     
21   C        -4.4409    3.7158   12.0648  C     
22   C        -4.4603    2.8923   10.7588  C     
23   H        -2.2713    3.4788   14.7028  H     
24   H        -2.2736    5.7747   15.0836  H     
25   H        -2.0659    5.5908   13.3529  H     
26   H        -3.8535    1.6082   15.5973  H     
27   H        -8.4924    0.3003   16.8719  H     
28   H        -8.3916    1.7893   17.5998  H     
29   H        -3.4195    7.3748   12.2149  H     
30   H        -4.6524    8.1824   13.1531  H     
31   H        -1.6545    8.1635   13.6939  H     
32   H        -2.6708    9.5463   13.2456  H     
33   H        -1.2312    7.9570   16.0628  H     
34   H        -2.0339    9.1822   17.0442  H     
35   H        -1.0296    9.6885   15.6758  H     
36   H        -2.4597    3.3776   12.4115  H     
37   H        -3.4654    2.2894   13.1294  H     
38   H        -5.4017    3.5877   12.5690  H     
39   H        -4.3125    4.7715   11.8144  H     
40   H        -3.5133    3.0077   10.2302  H     
41   H        -5.2650    3.2422   10.1116  H     
42   H        -4.6210    1.8344   10.9750  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	| 4.4520
  Crash		| -2.2444
  Polar		| 1.6658
  FragIndex	| 1
  FragRMSD	| 1.097