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
-0.9103 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2724 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9103 -1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0069 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6552 0.8724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2724 -2.3517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0034 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0897 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2621 -1.3310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8897 1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0897 -1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1828 -0.0724 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.2793 2.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7276 0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5034 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9621 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3448 1.6552 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 1 0 0 0 0
11 15 2 0 0 0 0
14 16 2 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
5 7 1 0 0 0 0
9 12 1 0 0 0 0
17 18 2 0 0 0 0
M END
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