@<TRIPOS>MOLECULE
BindingDB_14792
 46 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8571    5.4820   11.9409  C     
2    C        14.7978    5.6199   11.0381  C     
3    N        15.3523    5.3561   13.1789  N     
4    N        14.0577    5.4051   13.1246  N     
5    C        17.3085    5.5079   11.6805  C     
6    C        14.8751    5.8255    9.6396  C     
7    O        16.0645    5.7926    8.9979  O     
8    O        13.7553    6.1031    8.9232  O     
9    C        13.6276    6.3508    7.5191  C     
10   C        12.1570    6.6652    7.1829  C     
11   C        13.2865    5.4271   14.2525  C     
12   C        13.0714    4.2672   15.0267  C     
13   C        12.2252    4.3030   16.1537  C     
14   C        11.5545    5.4912   16.5636  C     
15   C        11.8478    6.6601   15.8065  C     
16   C        12.6873    6.6338   14.6796  C     
17   C        13.6502    5.5363   11.8345  C     
18   C        12.2492    5.5573   11.3433  C     
19   C        10.6050    5.5649   17.7454  C     
20   C         9.1205    5.6552   17.2323  C     
21   C        10.6628    4.3238   18.7023  C     
22   C        10.9499    6.8322   18.5992  C     
23   H        17.5788    4.7086   10.9870  H     
24   H        17.8779    5.3823   12.6026  H     
25   H        17.5825    6.4680   11.2294  H     
26   H        14.2685    7.1858    7.2347  H     
27   H        13.9509    5.4637    6.9640  H     
28   H        11.5163    5.8305    7.4891  H     
29   H        12.0458    6.8170    6.1061  H     
30   H        11.8451    7.5704    7.7132  H     
31   H        13.5113    3.3799   14.7639  H     
32   H        12.1055    3.4306   16.6640  H     
33   H        11.4103    7.5509   16.0491  H     
34   H        12.8221    7.4846   14.1198  H     
35   H        12.0482    6.5362   10.8899  H     
36   H        11.5252    5.4079   12.1674  H     
37   H        12.1250    4.7656   10.6008  H     
38   H         8.8867    6.6472   16.8255  H     
39   H         8.4031    5.4654   18.0413  H     
40   H         8.9367    4.9149   16.4388  H     
41   H        10.4545    3.4019   18.1424  H     
42   H         9.9199    4.4052   19.5039  H     
43   H        11.6374    4.2347   19.1833  H     
44   H        11.9858    6.7740   18.9456  H     
45   H        10.2926    6.9000   19.4747  H     
46   H        10.8313    7.7511   18.0168  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22   19   21 1
    23   19   22 1
    24    5   23 1
    25    5   24 1
    26    5   25 1
    27    9   26 1
    28    9   27 1
    29   10   28 1
    30   10   29 1
    31   10   30 1
    32   12   31 1
    33   13   32 1
    34   15   33 1
    35   16   34 1
    36   18   35 1
    37   18   36 1
    38   18   37 1
    39   20   38 1
    40   20   39 1
    41   20   40 1
    42   21   41 1
    43   21   42 1
    44   21   43 1
    45   22   44 1
    46   22   45 1
    47   22   46 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.6327
  Crash		| -0.9571
  Polar		| 1.0732
  FragIndex	| 1
  FragRMSD	| 0.305