@<TRIPOS>MOLECULE
BindingDB_30194
 37 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       239.2067   82.9798  184.0159  C     
2    C       240.5711   83.2483  183.7878  C     
3    N       240.9370   84.1290  182.8250  N     
4    C       240.0338   84.7519  182.0375  C     
5    C       238.6647   84.4946  182.2008  C     
6    C       238.2230   83.6211  183.2290  C     
7    C       236.8373   83.4424  183.4694  C     
8    C       234.6502   83.6747  183.2763  C     
9    N       235.8405   84.0572  182.7936  N     
10   C       236.2273   82.6458  184.4460  C     
11   C       232.1753   83.2337  183.4896  C     
12   C       233.3170   84.0498  182.7871  C     
13   C       234.8568   82.8008  184.3335  C     
14   C       233.8071   82.2518  185.0331  C     
15   N       232.5590   82.4621  184.6456  N     
16   O       234.0099   81.5453  186.0105  O     
17   C       241.5880   82.6213  184.5243  C     
18   C       243.3263   82.7005  186.2464  C     
19   C       243.6701   81.3675  185.9610  C     
20   C       242.9746   80.6532  184.9649  C     
21   C       241.9416   81.2802  184.2435  C     
22   C       242.2922   83.3270  185.5210  C     
23   F       244.6298   80.7816  186.6264  F     
24   H       238.9486   82.3335  184.7663  H     
25   H       240.3620   85.3993  181.3251  H     
26   H       237.9993   84.9576  181.5774  H     
27   H       235.9580   84.6591  182.0411  H     
28   H       236.6938   82.0241  185.1112  H     
29   H       231.3897   83.9278  183.7945  H     
30   H       231.7420   82.5379  182.7730  H     
31   H       233.1793   85.1179  182.9595  H     
32   H       233.2903   83.8690  181.7068  H     
33   H       231.8524   82.0189  185.1389  H     
34   H       243.8255   83.2193  186.9737  H     
35   H       243.2241   79.6837  184.7516  H     
36   H       241.4471   80.7503  183.5206  H     
37   H       242.0490   84.2950  185.7420  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27    1   24 1
    28    4   25 1
    29    5   26 1
    30    9   27 1
    31   10   28 1
    32   11   29 1
    33   11   30 1
    34   12   31 1
    35   12   32 1
    36   15   33 1
    37   18   34 1
    38   20   35 1
    39   21   36 1
    40   22   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.1041
  Crash		| -1.9774
  Polar		| 0.0019
  FragIndex	| 1
  FragRMSD	| 1.162