@<TRIPOS>MOLECULE
BindingDB_18779
 33 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        29.4293    1.1652   15.6460  C     
2    C        29.4468    1.2557   14.2454  C     
3    C        28.5243    2.0856   13.5612  C     
4    C        27.5429    2.7723   14.3175  C     
5    C        27.5351    2.6955   15.7161  C     
6    C        28.4704    1.8902   16.4051  C     
7    C        28.6841    2.3702   12.1847  C     
8    C        27.9356    1.7079   11.1727  C     
9    C        28.9457    2.9982    9.4676  C     
10   C        29.5384    3.4253   11.7492  C     
11   N        27.0467    0.7301   11.4197  N     
12   N        29.1236    3.3135    8.1686  N     
13   N        28.0725    2.0260    9.8600  N     
14   N        29.6475    3.6824   10.4100  N     
15   C        30.2968    4.2858   12.6974  C     
16   C        30.4021    5.8047   12.3438  C     
17   C        28.5225    1.8598   17.8809  C     
18   H        30.1218    0.5761   16.1161  H     
19   H        30.1693    0.7532   13.7217  H     
20   H        26.8855    3.4042   13.8490  H     
21   H        26.8453    3.2381   16.2457  H     
22   H        26.5597    0.3157   10.6817  H     
23   H        26.8726    0.4305   12.3253  H     
24   H        29.7956    3.9803    7.9268  H     
25   H        28.6315    2.8413    7.4764  H     
26   H        29.7850    4.2418   13.6618  H     
27   H        31.3034    3.8770   12.8225  H     
28   H        31.0396    5.9599   11.4634  H     
29   H        30.8499    6.3405   13.1861  H     
30   H        29.4242    6.2397   12.1513  H     
31   H        28.4535    0.8243   18.2480  H     
32   H        27.7015    2.4259   18.3470  H     
33   H        29.4676    2.2906   18.2432  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19    1   18 1
    20    2   19 1
    21    4   20 1
    22    5   21 1
    23   11   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   15   26 1
    28   15   27 1
    29   16   28 1
    30   16   29 1
    31   16   30 1
    32   17   31 1
    33   17   32 1
    34   17   33 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2471
  Crash		| -0.4060
  Polar		| 2.8621
  FragIndex	| 1
  FragRMSD	| 1.095