@<TRIPOS>MOLECULE
BindingDB_29025
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        38.2788   34.1031   36.0583  C     
2    C        38.6840   32.8694   36.6099  C     
3    C        38.5494   32.6364   37.9992  C     
4    C        37.9505   33.6242   38.8115  C     
5    C        37.5498   34.8444   38.2627  C     
6    C        37.7037   35.1083   36.8853  C     
7    C        39.0794   31.4979   38.6486  C     
8    N        37.2847   36.3404   36.4853  N     
9    C        37.3267   36.9110   35.2909  C     
10   C        36.9776   38.2164   35.1956  C     
11   O        37.8187   36.3507   34.3199  O     
12   C        37.3440   39.1217   36.1338  C     
13   C        36.2222   38.5223   34.2126  C     
14   N        35.5453   38.8023   33.3267  N     
15   C        36.9454   40.5223   36.1554  C     
16   O        38.1803   38.7523   37.1017  O     
17   C        38.4645   30.2277   38.5097  C     
18   C        38.8625   29.1637   39.3424  C     
19   C        39.8952   29.3444   40.2872  C     
20   C        40.5287   30.5947   40.4035  C     
21   C        40.1170   31.6686   39.5932  C     
22   H        38.3959   34.2590   35.0545  H     
23   H        39.1229   32.1628   36.0105  H     
24   H        37.8419   33.4789   39.8213  H     
25   H        37.1539   35.5557   38.8866  H     
26   H        36.9925   36.9254   37.1984  H     
27   H        37.3517   41.0342   35.2831  H     
28   H        37.3138   41.0406   37.0407  H     
29   H        35.8561   40.5895   36.1531  H     
30   H        39.0594   38.7285   36.6612  H     
31   H        37.7015   30.0927   37.8384  H     
32   H        38.4057   28.2504   39.2635  H     
33   H        40.1949   28.5658   40.8720  H     
34   H        41.2701   30.7327   41.0961  H     
35   H        40.5612   32.5838   39.7191  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    8 1
     9    7   17 2
    10    7   21 1
    11    8    9 am
    12    9   10 1
    13    9   11 2
    14   10   12 2
    15   10   13 1
    16   12   15 1
    17   12   16 1
    18   13   14 3
    19   17   18 1
    20   18   19 2
    21   19   20 1
    22   20   21 2
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28   15   27 1
    29   15   28 1
    30   15   29 1
    31   16   30 1
    32   17   31 1
    33   18   32 1
    34   19   33 1
    35   20   34 1
    36   21   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4909
  Crash		| -6.5047
  Polar		| 3.5345
  FragIndex	| 1
  FragRMSD	| 0.671