HMDB0256414 RDKit 3D Aconiazide 35 36 0 0 0 0 0 0 0 0999 V2000 4.7413 -1.5399 -0.9374 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -0.8953 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7403 -0.9599 -0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 -0.0857 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 -0.0010 1.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 0.4848 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9596 1.0024 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.4959 -2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 1.4776 -1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 0.9550 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 0.4628 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 -0.0871 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 -0.1853 1.9698 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7441 0.1351 1.4469 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 -0.8679 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1218 -2.0437 0.8193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 -0.5656 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6104 -1.5738 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 -1.2751 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2982 -0.0291 -0.8192 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5771 0.9664 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3187 0.7123 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -0.8483 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1342 0.9705 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1812 -0.4233 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0256 1.0575 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 1.9089 -2.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 1.8698 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8101 0.9708 -0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4028 -0.4773 2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0535 1.1446 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2636 -2.6123 -0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4667 -2.0531 -1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9432 1.9632 -0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 1.5470 0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 11 6 1 0 22 17 1 0 3 23 1 0 4 24 1 0 4 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 14 31 1 0 18 32 1 0 19 33 1 0 21 34 1 0 22 35 1 0 M END