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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RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
0.2930 -0.4542 -0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7942 0.3664 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 1.5456 0.7433 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9158 -0.3486 0.6887 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4946 0.3556 -0.5124 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5618 -1.2981 0.3856 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.0975 -0.8242 -1.2086 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.8682 -1.2777 0.3928 H 0 0 0 0 0 1 0 0 0 0 0 0
1.2109 1.1799 -1.0495 H 0 0 0 0 0 1 0 0 0 0 0 0
1.8017 0.7553 0.3789 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
1 5 1 0
1 6 1 0
1 7 1 0
4 8 1 0
5 9 1 0
5 10 1 0
M END
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