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 42 43
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-ISIS- 06160512192D
18 20 0 0 0 0 0 0 0 0999 V2000
0.0931 -1.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2000 -0.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 -2.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2483 -1.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3069 -1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2000 0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 -2.6034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4414 -3.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1862 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6034 -0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0069 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7621 -3.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5276 -1.7414 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
0.0069 2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1862 0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1862 3.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3793 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3793 2.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 2 0 0 0 0
1 4 1 0 0 0 0
2 5 1 0 0 0 0
2 6 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
4 9 2 0 0 0 0
5 10 2 0 0 0 0
6 11 1 0 0 0 0
8 12 2 0 0 0 0
9 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
14 16 1 0 0 0 0
15 17 2 0 0 0 0
16 18 2 0 0 0 0
5 7 1 0 0 0 0
9 12 1 0 0 0 0
17 18 1 0 0 0 0
M END
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