@<TRIPOS>MOLECULE
BindingDB_50180110
 38 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        22.9440   89.8625    0.6518  S     
2    C        24.2681   90.8169    1.4522  C     
3    C        24.3838   90.1762    2.7579  C     
4    C        23.7935   88.9756    2.8893  C     
5    C        23.0427   88.6568    1.8356  C     
6    O        22.4090   87.4997    1.6733  O     
7    C        25.5953   90.6853    0.5934  C     
8    C        23.7501   92.2798    1.6226  C     
9    O        25.1147   90.6237    3.6299  O     
10   C        23.8911   88.1254    4.0647  C     
11   C        25.6244   91.5294   -0.7525  C     
12   C        26.2132   90.7422   -1.9723  C     
13   C        27.6896   90.2696   -1.8171  C     
14   C        28.7092   91.4292   -1.7410  C     
15   C        30.1240   91.0200   -1.2835  C     
16   C        26.9125   90.8868    1.4054  C     
17   H        22.0041   87.2871    2.5334  H     
18   H        25.6335   89.6233    0.3244  H     
19   H        23.7477   92.8286    0.6848  H     
20   H        24.3748   92.8316    2.3238  H     
21   H        22.7301   92.2869    2.0132  H     
22   H        24.7722   88.3556    4.6673  H     
23   H        23.9563   87.0714    3.7857  H     
24   H        23.0013   88.2785    4.6786  H     
25   H        24.6088   91.8106   -1.0412  H     
26   H        26.1649   92.4919   -0.6316  H     
27   H        25.6014   89.8551   -2.1640  H     
28   H        26.1340   91.3718   -2.8672  H     
29   H        27.7761   89.6379   -0.9359  H     
30   H        27.9365   89.6468   -2.6764  H     
31   H        28.7683   91.9284   -2.7090  H     
32   H        28.3352   92.1437   -1.0251  H     
33   H        30.0890   90.5632   -0.2908  H     
34   H        30.7715   91.9001   -1.2392  H     
35   H        30.5533   90.3021   -1.9811  H     
36   H        27.0541   90.0683    2.1093  H     
37   H        26.9019   91.8301    1.9491  H     
38   H        27.7787   90.8836    0.7424  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    5 1
     3    2    3 1
     4    2    7 1
     5    2    8 1
     6    3    4 1
     7    3    9 2
     8    4    5 2
     9    4   10 1
    10    5    6 1
    11    7   11 1
    12    7   16 1
    13   11   12 1
    14   12   13 1
    15   13   14 1
    16   14   15 1
    17    6   17 1
    18    7   18 1
    19    8   19 1
    20    8   20 1
    21    8   21 1
    22   10   22 1
    23   10   23 1
    24   10   24 1
    25   11   25 1
    26   11   26 1
    27   12   27 1
    28   12   28 1
    29   13   29 1
    30   13   30 1
    31   14   31 1
    32   14   32 1
    33   15   33 1
    34   15   34 1
    35   15   35 1
    36   16   36 1
    37   16   37 1
    38   16   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2039
  Crash		| -2.7901
  Polar		| 2.0430
  FragIndex	| 1
  FragRMSD	| 0.426