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
-0.9814 0.1961 0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1904 -0.6089 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4241 0.1665 -0.2251 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8979 -0.4014 0.2332 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.1447 1.1018 -0.3229 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.8152 0.4936 1.3116 H 0 0 0 0 0 1 0 0 0 0 0 0
0.3182 -1.5200 0.3285 H 0 0 0 0 0 1 0 0 0 0 0 0
-0.0094 -0.9153 -1.2968 H 0 0 0 0 0 1 0 0 0 0 0 0
1.6090 0.4651 0.7319 H 0 0 0 0 0 1 0 0 0 0 0 0
1.3070 1.0225 -0.7663 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 1 0
2 3 1 0
1 4 1 0
1 5 1 0
1 6 1 0
2 7 1 0
2 8 1 0
3 9 1 0
3 10 1 0
M END
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