@<TRIPOS>MOLECULE
BindingDB_7127
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5869   45.9770   22.3476  C     
2    C        12.8447   46.0214   23.5137  C     
3    C        11.6522   46.6620   23.1999  C     
4    N        12.8391   46.5613   21.3990  N     
5    N        11.7129   46.9775   21.8937  N     
6    N        10.5788   46.9593   23.9742  N     
7    C        10.3146   46.5406   25.2071  C     
8    O        11.0353   45.7235   25.7771  O     
9    C        14.9562   45.4590   22.2045  C     
10   C        15.3637   44.1271   22.8590  C     
11   C        15.0753   44.1826   21.3595  C     
12   C         9.1612   46.9530   25.8650  C     
13   C         8.6726   48.2798   25.7325  C     
14   C         8.4368   46.0507   26.6906  C     
15   C         7.2683   46.4595   27.3549  C     
16   C         6.7988   47.7755   27.2169  C     
17   C         7.5030   48.6868   26.4053  C     
18   H        13.1561   45.6853   24.4259  H     
19   H        13.1093   46.6780   20.4747  H     
20   H         9.8964   47.5102   23.5476  H     
21   H        15.7611   46.1766   22.0270  H     
22   H        16.4154   44.0221   23.1322  H     
23   H        14.6027   43.6110   23.4536  H     
24   H        14.1574   43.6654   21.0712  H     
25   H        15.9560   44.1074   20.7163  H     
26   H         9.1774   48.9700   25.1682  H     
27   H         8.7491   45.0813   26.8009  H     
28   H         6.7486   45.7904   27.9278  H     
29   H         5.9412   48.0662   27.6877  H     
30   H         7.1634   49.6431   26.3033  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    9 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7   12 1
    11    9   10 1
    12    9   11 1
    13   10   11 1
    14   12   13 2
    15   12   14 1
    16   13   17 1
    17   14   15 2
    18   15   16 1
    19   16   17 2
    20    2   18 1
    21    4   19 1
    22    6   20 1
    23    9   21 1
    24   10   22 1
    25   10   23 1
    26   11   24 1
    27   11   25 1
    28   13   26 1
    29   14   27 1
    30   15   28 1
    31   16   29 1
    32   17   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.1771
  Crash		| -0.4544
  Polar		| 3.3956
  FragIndex	| 1
  FragRMSD	| 0.514