HMDB0015309 RDKit 3D Chlormezanone 29 30 0 0 0 0 0 0 0 0999 V2000 -0.4996 -2.6231 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8412 -1.2038 -0.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7712 -0.6967 -1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7213 -1.0840 -2.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 0.2809 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.4754 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 1.0569 0.9923 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.1450 1.5077 2.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 2.1539 -0.0279 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 -0.3496 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 0.1804 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9735 -0.5610 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2276 -0.0885 -0.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6314 1.1656 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 1.8253 -0.8668 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7591 1.9130 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 1.4367 0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4022 -3.2625 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -2.8729 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 -3.0000 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 -0.1659 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 1.2421 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1363 -0.4693 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 1.2895 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 -0.9330 1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6611 -1.5351 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 -0.6784 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0918 2.9079 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 2.0888 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 2 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 10 2 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 16 28 1 0 17 29 1 0 M END