@<TRIPOS>MOLECULE
BindingDB_29039
 42 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        37.9677   34.8581   38.3919  C     
2    C        38.4110   33.6757   38.9907  C     
3    C        38.5545   32.4687   38.2454  C     
4    C        38.1551   32.4912   36.8889  C     
5    C        37.7214   33.6855   36.2737  C     
6    C        37.6582   34.8886   37.0178  C     
7    C        39.0685   31.3345   38.9131  C     
8    N        37.2564   36.1081   36.5769  N     
9    C        37.4152   36.6582   35.3844  C     
10   C        37.0236   37.9658   35.2250  C     
11   O        37.9499   36.0604   34.4469  O     
12   C        37.3843   38.9526   36.0905  C     
13   C        36.2373   38.1892   34.2495  C     
14   N        35.5485   38.3828   33.3447  N     
15   C        36.9551   40.3448   35.9528  C     
16   O        38.1941   38.7069   37.1065  O     
17   C        40.2009   31.4973   39.7444  C     
18   C        40.6495   30.4437   40.5462  C     
19   C        39.9233   29.2390   40.6151  C     
20   C        38.8317   29.0272   39.7544  C     
21   C        38.4025   30.0927   38.9203  C     
22   O        38.0817   27.8763   39.7302  O     
23   C        37.8648   27.0162   40.8822  C     
24   C        36.5474   27.2695   41.6433  C     
25   H        37.9014   35.6985   38.9709  H     
26   H        38.6417   33.7082   39.9873  H     
27   H        38.2310   31.6429   36.3169  H     
28   H        37.4466   33.6786   35.2916  H     
29   H        36.9360   36.7135   37.2632  H     
30   H        37.4085   40.7624   35.0623  H     
31   H        37.2695   40.9335   36.8111  H     
32   H        35.8764   40.4074   35.8863  H     
33   H        39.0889   38.6865   36.6976  H     
34   H        40.7413   32.3639   39.7533  H     
35   H        41.4866   30.5609   41.1208  H     
36   H        40.3201   28.4760   41.1527  H     
37   H        37.6118   29.9436   38.2897  H     
38   H        37.8627   25.9681   40.5266  H     
39   H        38.7048   27.1195   41.5897  H     
40   H        36.6010   28.2637   42.0854  H     
41   H        36.4027   26.5132   42.4436  H     
42   H        35.6933   27.1927   40.9398  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   20   22 1
    24   22   23 1
    25   23   24 1
    26    1   25 1
    27    2   26 1
    28    4   27 1
    29    5   28 1
    30    8   29 1
    31   15   30 1
    32   15   31 1
    33   15   32 1
    34   16   33 1
    35   17   34 1
    36   18   35 1
    37   19   36 1
    38   21   37 1
    39   23   38 1
    40   23   39 1
    41   24   40 1
    42   24   41 1
    43   24   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.0227
  Crash		| -9.6566
  Polar		| 3.9103
  FragIndex	| 1
  FragRMSD	| 0.729