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example.mol
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49 lines (48 loc) · 1.63 KB
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Molecule from ChemDoodle Web Components
http://www.ichemlabs.com
21 23 0 0 0 0 999 V2000
-0.0125 2.0827 0.0000 O 0 0 0 0 0 0
0.8536 1.5827 0.0000 C 0 0 0 0 0 0
0.8536 0.5827 0.0000 C 0 0 0 0 0 0
-0.0125 0.0827 0.0000 C 0 0 0 0 0 0
-0.8785 0.5827 0.0000 C 0 0 0 0 0 0
-0.8785 1.5827 0.0000 C 0 0 0 0 0 0
1.7196 2.0827 0.0000 C 0 0 0 0 0 0
2.5856 1.5827 0.0000 C 0 3 0 0 0 0
1.7196 3.0827 0.0000 C 0 3 0 0 0 0
-1.8785 1.5827 0.0000 C 0 0 0 0 0 0
-1.8785 2.5827 0.0000 C 0 3 0 0 0 0
-2.5856 0.8756 0.0000 C 0 3 0 0 0 0
-1.7445 0.0827 0.0000 O 0 0 0 0 0 0
0.9820 -0.0219 0.0000 C 0 0 0 0 0 0
1.1900 -1.0000 0.0000 Br 0 0 0 0 0 0
0.3239 -1.5000 0.0000 C 0 0 0 0 0 0
-0.4192 -0.8309 0.0000 C 0 0 0 0 0 0
1.0671 -2.1691 0.0000 C 0 0 0 0 0 0
0.6603 -3.0827 0.0000 Cl 0 0 0 0 0 0
-0.3342 -2.9781 0.0000 C 0 0 0 0 0 0
-0.5421 -2.0000 0.0000 Br 0 0 0 0 0 0
1 21 0 0 0
2 32 0 0 0
3 41 0 0 0
4 52 0 0 0
5 61 0 0 0
6 12 0 0 0
2 71 1 0 0
7 81 0 0 0
7 91 0 0 0
6 101 0 0 0
10 111 0 0 0
10 121 0 0 0
5 133 0 0 0
4 141 0 0 0
14 151 0 0 0
15 161 0 0 0
16 171 0 0 0
17 41 0 0 0
16 181 0 0 0
18 191 0 0 0
19 201 0 0 0
20 211 0 0 0
21 161 0 0 0
M END