1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24
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MJ221900
10 9 0 0 1 0 0 0 0 0999 V2000
0.9435 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6973 -1.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6973 -0.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2367 -1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1235 -2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9443 -3.4991 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.9105 -2.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7314 -3.2517 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6540 -2.2913 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 4 1 1 0 0 0
4 5 2 0 0 0 0
5 6 1 4 0 0 0
2 3 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 7 1 0 0 0 0
2 10 1 0 0 0 0
M END
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