1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41
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RDKit 2D
17 18 0 0 0 0 0 0 0 0999 V2000
-0.6546 -10.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8113 -8.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4022 -7.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2454 -6.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 -5.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8273 -5.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 N 0 0 0 0 0 4 0 0 0 0 0 0
-0.7418 -4.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0537 -5.5211 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 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 2 0
5 6 1 0
5 7 1 0
7 8 2 0
8 9 1 0
7 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
14 16 1 0
16 17 2 0
9 4 1 0
17 11 1 0
M CHG 1 7 1
M END000
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