HMDB0015407 RDKit 3D Pirbuterol 37 37 0 0 0 0 0 0 0 0999 V2000 -4.2326 0.9498 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 0.4003 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 1.5692 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6059 -0.6794 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1816 -0.2105 -0.6726 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 -0.0695 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1862 -0.7663 0.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 -2.1122 0.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 -0.7670 0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0101 -1.9725 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 -2.0289 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -0.8468 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4088 -0.8935 -0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 0.3539 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 1.6096 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 2.7150 0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 0.3477 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 1.7252 -1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7239 0.1085 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9483 1.3972 0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 1.2736 2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 1.9038 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 2.4710 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -1.6347 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 -0.4390 1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9941 -0.8060 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -0.4568 -1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 0.9721 -0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 -0.6067 -1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -0.3313 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 -2.3395 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4602 -2.8865 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8901 -2.9570 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9173 -1.7592 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 1.7209 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6290 1.5977 -1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 3.4475 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 14 17 2 0 17 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 M END