@<TRIPOS>MOLECULE
BindingDB_7887
 22 23 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -16.1122    4.4418   22.4212  C     
2    C       -16.8995    2.7983   21.2406  C     
3    C       -15.6376    2.4489   21.6984  C     
4    N       -15.1519    3.4877   22.4218  N     
5    N       -17.1754    4.0390   21.6932  N     
6    C       -13.9285    3.5172   23.1646  C     
7    C       -13.1815    4.7766   22.9257  C     
8    C       -13.0348    5.7567   23.9421  C     
9    C       -12.6105    5.0424   21.6545  C     
10   C       -11.9407    6.2529   21.3990  C     
11   C       -11.8513    7.2316   22.4091  C     
12   C       -12.3674    6.9710   23.6921  C     
13   H       -16.0584    5.3465   22.8994  H     
14   H       -17.5223    2.2192   20.6698  H     
15   H       -15.1632    1.5649   21.5046  H     
16   H       -14.1685    3.3964   24.2325  H     
17   H       -13.2757    2.6773   22.8877  H     
18   H       -13.3933    5.5821   24.8834  H     
19   H       -12.6800    4.3471   20.9081  H     
20   H       -11.5457    6.4340   20.4701  H     
21   H       -11.3722    8.1212   22.2166  H     
22   H       -12.2695    7.6729   24.4301  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    2    3 2
     4    2    5 1
     5    3    4 1
     6    4    6 1
     7    6    7 1
     8    7    8 2
     9    7    9 1
    10    8   12 1
    11    9   10 2
    12   10   11 1
    13   11   12 2
    14    1   13 1
    15    2   14 1
    16    3   15 1
    17    6   16 1
    18    6   17 1
    19    8   18 1
    20    9   19 1
    21   10   20 1
    22   11   21 1
    23   12   22 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.6681
  Crash		| -0.1053
  Polar		| 1.9331
  FragIndex	| 1
  FragRMSD	| 0.084