HMDB0033350 RDKit 3D Brassinin 27 28 0 0 0 0 0 0 0 0999 V2000 4.7911 0.8447 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7566 -0.9520 -0.3476 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1107 -1.5880 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -3.1913 -0.1314 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0070 -0.6872 -0.1536 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6466 -1.1439 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 0.0052 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 1.3414 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 2.0058 -0.0087 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 1.0972 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5776 1.2485 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3615 0.1189 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8124 -1.1469 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4301 -1.2947 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -0.1664 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 1.1383 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 1.2796 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 1.3167 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2007 0.3248 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -1.7368 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -1.8400 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 1.8270 -0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 3.0338 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0144 2.2511 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4573 0.2111 0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 -2.0134 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -2.2836 0.1963 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 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 7 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 9 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 M END