@<TRIPOS>MOLECULE
BindingDB_14793
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.4319   44.4851   11.7611  C     
2    C        14.0713   44.8509   10.5644  C     
3    N        14.3610   44.5021   12.7231  N     
4    N        15.5239   44.8175   12.2400  N     
5    C        12.0154   44.1771   12.0195  C     
6    C        13.4633   44.9904    9.2970  C     
7    O        12.3848   44.2160    8.9766  O     
8    O        13.9102   45.9490    8.4183  O     
9    C        13.4774   46.2702    7.0879  C     
10   C        11.9534   46.2159    6.8043  C     
11   C        16.6213   44.8829   13.0642  C     
12   C        17.6564   45.8436   12.9023  C     
13   C        18.7503   45.9036   13.8178  C     
14   C        18.8485   44.9748   14.8771  C     
15   C        17.8355   44.0065   15.0404  C     
16   C        16.7306   43.9866   14.1613  C     
17   C        15.4149   45.0115   10.9071  C     
18   C        16.5362   45.2465    9.9737  C     
19   S        20.2049   44.9671   15.9572  S     
20   O        19.6663   45.4055   17.3964  O     
21   O        20.8062   43.4991   16.1216  O     
22   N        21.4684   46.0233   15.6052  N     
23   H        11.3957   45.0061   11.6888  H     
24   H        11.8210   44.0124   13.0739  H     
25   H        11.7225   43.2809   11.4795  H     
26   H        13.8142   47.2948    6.9145  H     
27   H        13.9880   45.6292    6.3701  H     
28   H        11.4977   45.2419    7.0165  H     
29   H        11.7764   46.3534    5.7266  H     
30   H        11.4080   46.9949    7.3571  H     
31   H        17.5917   46.5081   12.1250  H     
32   H        19.4619   46.6248   13.7124  H     
33   H        17.8731   43.3220   15.7861  H     
34   H        15.9984   43.2876   14.3122  H     
35   H        16.4504   44.5717    9.1300  H     
36   H        17.5133   45.0962   10.4200  H     
37   H        16.4945   46.2639    9.6031  H     
38   H        22.1035   46.2496   16.3091  H     
39   H        21.6774   46.2341   14.6741  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 2
    22   19   21 2
    23   19   22 am
    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   22   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7874
  Crash		| -1.0289
  Polar		| 0.0550
  FragIndex	| 1
  FragRMSD	| 1.110