@<TRIPOS>MOLECULE
BindingDB_10880
 19 19 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -5.2461    2.5978   15.8030  C     
2    C        -4.4550    4.4334   14.6717  C     
3    S        -6.0523    3.9184   15.1017  S     
4    N        -3.5124    3.5854   15.0894  N     
5    N        -3.9735    2.5925   15.6983  N     
6    N        -7.5741    1.9751   17.2479  N     
7    S        -6.0858    1.4234   16.7046  S     
8    O        -6.3638    0.1764   15.7614  O     
9    O        -5.1835    0.9642   17.9307  O     
10   N        -4.0865    5.4958   13.9250  N     
11   C        -4.8489    6.4349   13.3837  C     
12   C        -4.2130    7.4933   12.6343  C     
13   O        -6.0663    6.4642   13.5218  O     
14   H        -8.1373    1.3741   17.7603  H     
15   H        -7.8689    2.8720   17.0402  H     
16   H        -3.1327    5.5700   13.7538  H     
17   H        -3.4977    8.0200   13.2693  H     
18   H        -4.9402    8.2237   12.2653  H     
19   H        -3.6836    7.0752   11.7764  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    5 2
     3    1    7 1
     4    2    3 1
     5    2    4 2
     6    2   10 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 2
    11   10   11 am
    12   11   12 1
    13   11   13 2
    14    6   14 1
    15    6   15 1
    16   10   16 1
    17   12   17 1
    18   12   18 1
    19   12   19 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7196
  Crash		| -0.9937
  Polar		| 3.3596
  FragIndex	| 1
  FragRMSD	| 1.474