@<TRIPOS>MOLECULE
BindingDB_10876
 21 21 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.4374    2.5067   15.9262  C     
2    C        -6.2945    3.5844   15.6222  C     
3    C        -5.7948    4.7245   14.9627  C     
4    C        -4.4292    4.8000   14.5987  C     
5    C        -3.5746    3.7213   14.9156  C     
6    C        -4.0741    2.5853   15.5750  C     
7    O        -5.8604   -0.1295   15.8023  O     
8    O        -5.1887    0.8631   18.0944  O     
9    S        -6.0342    1.1115   16.7732  S     
10   N        -7.6822    1.1283   17.0879  N     
11   C        -3.8869    6.0136   13.9502  C     
12   O        -3.0234    6.6816   14.8628  O     
13   H        -7.2795    3.5617   15.8939  H     
14   H        -6.4232    5.5060   14.7700  H     
15   H        -2.5781    3.7643   14.6841  H     
16   H        -3.4308    1.8285   15.8148  H     
17   H        -8.1371    0.2966   17.2660  H     
18   H        -8.1743    1.9632   17.0763  H     
19   H        -3.3286    5.7361   13.0521  H     
20   H        -4.6774    6.7109   13.6552  H     
21   H        -3.5963    6.9281   15.6192  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    9 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    9 2
    10    8    9 2
    11    9   10 am
    12   11   12 1
    13    2   13 1
    14    3   14 1
    15    5   15 1
    16    6   16 1
    17   10   17 1
    18   10   18 1
    19   11   19 1
    20   11   20 1
    21   12   21 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1792
  Crash		| -0.7697
  Polar		| 2.4302
  FragIndex	| 1
  FragRMSD	| 1.175