HMDB0249665 RDKit 3D Carbuterol 40 40 0 0 0 0 0 0 0 0999 V2000 -4.0072 -0.2200 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 0.0074 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5628 -1.2461 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1657 1.1259 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 0.3441 0.2695 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3914 0.5850 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 0.9321 -0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 1.1616 -2.1824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 0.0456 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -1.0775 0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -1.8649 1.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 -1.5169 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 -2.3035 1.6955 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2662 -0.3947 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -0.0690 0.2845 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 1.0444 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 2.2254 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 0.9537 -1.4577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 0.3666 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 0.0041 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4817 0.4836 2.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8408 -1.2596 1.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -1.0286 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -1.9905 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 -1.7072 -0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 0.9565 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 1.1121 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 2.0926 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 1.1802 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -0.2502 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 1.4786 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 1.9468 -0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1713 0.4474 -2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 -1.3332 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -2.7466 1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -3.1225 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -0.6785 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1221 2.3534 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0441 0.7210 -1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 1.2415 -0.8160 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 16 17 2 3 16 18 1 0 14 19 2 0 19 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 15 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 M END