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out1.sdf
34 lines (31 loc) · 1.25 KB
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out1.sdf
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OpenBabel03241713363D
13 12 0 0 0 0 0 0 0 0999 V2000
-4.4820 -0.1929 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9632 -0.1318 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8449 -0.8813 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8481 -0.5628 -1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9979 1.2043 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5951 0.3397 1.3010 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6140 0.5812 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5225 -1.1027 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6823 1.5824 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0784 1.2389 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5971 1.8901 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9636 1.2456 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5894 0.5188 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 11 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
M END
> <MOL Chiral Flag>
0
$$$$