HMDB0036649 RDKit 3D Sinalbin B 29 31 0 0 0 0 0 0 0 0999 V2000 -1.2459 3.2945 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 2.2931 -0.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 0.9715 -0.5088 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 0.1233 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 -1.1521 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3122 -1.0733 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2678 -2.0408 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5888 -1.6576 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9554 -0.3597 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 0.5838 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 0.2346 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9566 -2.2990 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 -2.0384 0.5703 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9793 -1.0184 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 -0.9517 1.0221 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 0.6603 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2663 0.3608 -0.5000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0229 3.7416 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5243 4.1237 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6321 2.9547 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 -3.0709 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3896 -2.3815 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 -0.0901 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2169 1.6168 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4926 -2.9357 0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 -2.9711 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6620 0.7334 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5413 1.4182 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1606 0.9301 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 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 5 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 14 17 1 0 11 3 1 0 17 4 1 0 11 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 12 26 1 0 16 27 1 0 16 28 1 0 16 29 1 0 M END