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orig
RDKit 2D
28 29 0 0 0 0 0 0 0 0999 V2000
-1.0485 -2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5768 -2.7240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3897 -2.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6743 -1.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 -1.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4306 -0.4009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1884 0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0894 0.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1253 2.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6315 2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4444 2.3844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7290 3.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2007 3.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4853 4.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9570 5.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1441 5.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6158 5.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8029 5.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5183 4.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0466 4.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 3.3702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0042 2.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2518 0.5849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5364 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0081 -0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2927 -1.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2356 -2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
8 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 1 1 0
22 9 1 0
M CHG 4 6 1 14 1 18 1 27 1
M END
|
