@<TRIPOS>MOLECULE
BindingDB_16656
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.5864    9.8560   12.5977  C     
2    C        19.9379   10.9185   13.2590  C     
3    C        20.6583   11.7576   14.1269  C     
4    C        22.0427   11.5662   14.3427  C     
5    C        22.6875   10.4999   13.6724  C     
6    C        21.9659    9.6524   12.8090  C     
7    S        19.6881    8.7991   11.5463  S     
8    O        20.1546    7.3122   11.8639  O     
9    O        18.1091    8.8788   11.7173  O     
10   N        20.0682    9.0396    9.9304  N     
11   C        22.7869   12.4777   15.2565  C     
12   N        22.7813   14.9712   15.4440  N     
13   C        23.1134   13.8593   14.6075  C     
14   C        21.5645   15.3087   15.8492  C     
15   N        21.3178   16.3298   16.6525  N     
16   O        20.5804   14.6703   15.4966  O     
17   C        22.2332   17.1989   17.1583  C     
18   C        22.9033   16.8942   18.3613  C     
19   C        22.4678   18.4409   16.5285  C     
20   C        23.3552   19.3716   17.1024  C     
21   C        24.0084   19.0674   18.3113  C     
22   C        23.7843   17.8290   18.9392  C     
23   H        18.9399   11.0869   13.1202  H     
24   H        20.1587   12.5049   14.6098  H     
25   H        23.6879   10.3312   13.8052  H     
26   H        22.4517    8.8850   12.3381  H     
27   H        20.2705    8.2812    9.3608  H     
28   H        20.0965    9.9382    9.5682  H     
29   H        22.1903   12.6115   16.1653  H     
30   H        23.7242   12.0128   15.5792  H     
31   H        23.5147   15.5392   15.7273  H     
32   H        24.1877   13.9065   14.4065  H     
33   H        22.6071   13.9864   13.6474  H     
34   H        20.3899   16.4770   16.9004  H     
35   H        22.7386   16.0040   18.8338  H     
36   H        21.9881   18.6750   15.6556  H     
37   H        23.5148   20.2735   16.6482  H     
38   H        24.6400   19.7523   18.7360  H     
39   H        24.2523   17.6157   19.8232  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4   11 1
     8    5    6 1
     9    7    8 2
    10    7    9 2
    11    7   10 am
    12   11   13 1
    13   12   13 1
    14   12   14 am
    15   14   15 am
    16   14   16 2
    17   15   17 1
    18   17   18 1
    19   17   19 2
    20   18   22 2
    21   19   20 1
    22   20   21 2
    23   21   22 1
    24    2   23 1
    25    3   24 1
    26    5   25 1
    27    6   26 1
    28   10   27 1
    29   10   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   13   32 1
    34   13   33 1
    35   15   34 1
    36   18   35 1
    37   19   36 1
    38   20   37 1
    39   21   38 1
    40   22   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.1286
  Crash		| -0.6234
  Polar		| 1.1319
  FragIndex	| 1
  FragRMSD	| 1.156