@<TRIPOS>MOLECULE
BindingDB_50180135
 31 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        23.4470   89.6102    0.3613  S     
2    C        24.5330   90.6711    1.3507  C     
3    C        24.4376   90.0794    2.6939  C     
4    C        23.6631   88.9897    2.8429  C     
5    C        23.0893   88.6237    1.6922  C     
6    O        22.2390   87.6265    1.5090  O     
7    C        25.9262   90.6232    0.8375  C     
8    C        23.9149   92.1094    1.4447  C     
9    O        25.0490   90.5760    3.6394  O     
10   C        23.4767   88.2847    4.1057  C     
11   C        26.4659   91.0036   -0.3579  C     
12   C        27.8426   90.8564   -0.5465  C     
13   C        28.6481   91.3344   -1.5144  C     
14   C        25.6090   91.5705   -1.4065  C     
15   C        30.0741   91.0385   -1.5919  C     
16   H        21.6248   87.6717    2.2594  H     
17   H        26.5684   90.2354    1.4975  H     
18   H        23.6683   92.5209    0.4671  H     
19   H        24.5992   92.8052    1.9436  H     
20   H        22.9723   92.1079    2.0147  H     
21   H        24.4318   87.9219    4.4868  H     
22   H        22.8160   87.4261    4.0038  H     
23   H        23.0404   88.9696    4.8273  H     
24   H        28.3228   90.2833    0.1162  H     
25   H        28.2789   91.8982   -2.2369  H     
26   H        24.7908   90.9012   -1.6734  H     
27   H        26.1153   91.7962   -2.3519  H     
28   H        25.1950   92.5155   -1.0803  H     
29   H        30.5889   91.3371   -0.6757  H     
30   H        30.5454   91.5725   -2.4308  H     
31   H        30.2164   89.9700   -1.7679  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 2
    12   11   12 1
    13   11   14 1
    14   12   13 2
    15   13   15 1
    16    6   16 1
    17    7   17 1
    18    8   18 1
    19    8   19 1
    20    8   20 1
    21   10   21 1
    22   10   22 1
    23   10   23 1
    24   12   24 1
    25   13   25 1
    26   14   26 1
    27   14   27 1
    28   14   28 1
    29   15   29 1
    30   15   30 1
    31   15   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.3984
  Crash		| -1.0790
  Polar		| 2.1494
  FragIndex	| 1
  FragRMSD	| 0.268