@<TRIPOS>MOLECULE
BindingDB_14785
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.4281    6.0623   11.9119  C     
2    C        14.5815    5.9810   11.1152  C     
3    C        15.6036    5.6344   11.9958  C     
4    N        15.0478    5.4464   13.2003  N     
5    N        13.7669    5.6744   13.1744  N     
6    C        14.6913    6.1343    9.7080  C     
7    O        15.8991    6.1142    9.0970  O     
8    O        13.5716    6.2004    8.9412  O     
9    C        13.4697    6.2525    7.5157  C     
10   C        12.0343    6.6625    7.1331  C     
11   C        17.0423    5.4506   11.7365  C     
12   C        12.1032    6.4687   11.3893  C     
13   C        13.0051    5.4143   14.3012  C     
14   C        12.9564    4.0870   14.8009  C     
15   C        12.2237    3.7620   15.9571  C     
16   C        11.5406    4.7631   16.6623  C     
17   C        11.5679    6.0873   16.1910  C     
18   C        12.2801    6.4042   15.0190  C     
19   H        14.1802    6.9769    7.1100  H     
20   H        13.6928    5.2664    7.1040  H     
21   H        11.9041    6.6015    6.0490  H     
22   H        11.8412    7.6885    7.4545  H     
23   H        11.3101    5.9942    7.6110  H     
24   H        17.1889    4.6643   10.9961  H     
25   H        17.5700    5.1706   12.6526  H     
26   H        17.4707    6.3836   11.3622  H     
27   H        12.1926    7.4027   10.8300  H     
28   H        11.3963    6.6514   12.1833  H     
29   H        11.7039    5.6920   10.7338  H     
30   H        13.4509    3.3361   14.3138  H     
31   H        12.1869    2.7954   16.2857  H     
32   H        11.0064    4.5317   17.4986  H     
33   H        11.0650    6.8210   16.6966  H     
34   H        12.2515    7.3728   14.7111  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1   12 1
     4    2    3 1
     5    2    6 1
     6    3    4 2
     7    3   11 1
     8    4    5 1
     9    5   13 1
    10    6    7 2
    11    6    8 1
    12    8    9 1
    13    9   10 1
    14   13   14 2
    15   13   18 1
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   17   18 2
    20    9   19 1
    21    9   20 1
    22   10   21 1
    23   10   22 1
    24   10   23 1
    25   11   24 1
    26   11   25 1
    27   11   26 1
    28   12   27 1
    29   12   28 1
    30   12   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.5817
  Crash		| -0.1949
  Polar		| 1.1502
  FragIndex	| 1
  FragRMSD	| 0.235