@<TRIPOS>MOLECULE
BindingDB_14796
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.2678   48.2361  -12.1375  C     
2    C         1.1592   48.6438  -11.4031  C     
3    N         3.3378   48.4462  -11.3616  N     
4    N         3.0462   48.9617  -10.2017  N     
5    C         2.3650   47.6329  -13.4839  C     
6    C        -0.1867   48.5922  -11.8652  C     
7    O        -0.4702   48.5989  -13.1892  O     
8    O        -1.2102   48.6582  -10.9790  O     
9    C        -2.6140   48.7417  -11.2404  C     
10   C        -3.2579   49.6947  -10.2153  C     
11   C         4.1009   49.1944   -9.2966  C     
12   C         4.7775   50.4495   -9.2848  C     
13   C         5.8176   50.7396   -8.3849  C     
14   C         6.2427   49.7789   -7.4613  C     
15   C         5.5919   48.5382   -7.4319  C     
16   C         4.5443   48.2579   -8.3329  C     
17   C         1.6778   49.1271  -10.1819  C     
18   C         0.7593   49.6841   -9.1477  C     
19   N         7.2214   50.0605   -6.5889  N     
20   H         1.7682   46.7201  -13.5209  H     
21   H         3.4036   47.3915  -13.7253  H     
22   H         1.9960   48.3322  -14.2292  H     
23   H        -2.7765   49.1347  -12.2531  H     
24   H        -3.0587   47.7437  -11.1581  H     
25   H        -3.2524   49.2277   -9.2291  H     
26   H        -4.2848   49.8982  -10.5065  H     
27   H        -2.7136   50.6352  -10.1776  H     
28   H         4.5253   51.1851   -9.9481  H     
29   H         6.2538   51.6613   -8.3939  H     
30   H         5.8601   47.8421   -6.7309  H     
31   H         4.0967   47.3703   -8.1980  H     
32   H         0.0375   50.3542   -9.6226  H     
33   H         1.1982   50.2780   -8.3937  H     
34   H         0.2021   48.8701   -8.6687  H     
35   H         7.5001   49.3993   -5.9402  H     
36   H         7.6431   50.9355   -6.5990  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    5   20 1
    22    5   21 1
    23    5   22 1
    24    9   23 1
    25    9   24 1
    26   10   25 1
    27   10   26 1
    28   10   27 1
    29   12   28 1
    30   13   29 1
    31   15   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
    36   19   35 1
    37   19   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0838
  Crash		| -0.3193
  Polar		| 1.1317
  FragIndex	| 1
  FragRMSD	| 0.218