HMDB0061122 RDKit 3D 4-Hydroxy-alprenolol 42 42 0 0 0 0 0 0 0 0999 V2000 -2.5351 2.7580 -1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 1.8144 -1.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8401 1.3009 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 -0.1413 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5486 -1.0755 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 -2.4209 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2981 -3.3832 0.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0126 -2.8599 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9822 -1.9225 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2367 -0.5706 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3047 0.3645 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0241 0.4578 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 -0.0692 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 -1.4007 -0.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 0.2823 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2699 -0.0163 -0.9796 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 0.3492 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0787 -0.4599 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 1.8373 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 3.1921 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 3.1323 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 1.4485 -2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 1.5019 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 1.9109 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5782 -0.7450 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5185 -3.7810 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7664 -3.9136 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 -2.3288 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 1.5489 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.0417 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 0.4590 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -1.9042 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5704 -0.3287 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3935 1.3399 0.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -1.0236 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 0.1542 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 -1.0083 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2568 0.1941 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 -1.2724 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3216 2.0176 0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 2.3068 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8367 2.2966 -0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 10 4 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 M END