HMDB0015341 RDKit 3D Levobunolol 46 47 0 0 0 0 0 0 0 0999 V2000 4.4826 0.1741 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 0.7495 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 1.5993 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 1.6517 0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -0.2899 -0.4883 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 -1.1349 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2702 -2.2396 -0.4619 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3125 -2.9846 -1.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 -1.5982 -1.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 -0.8403 -1.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7692 -1.0737 -0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 -2.2951 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3194 -2.4679 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 -1.4078 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -0.1721 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 0.0111 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2445 1.3655 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 2.1703 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 2.3275 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 0.9782 0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 0.7952 1.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7598 -0.8242 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0266 0.0656 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 0.8080 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9453 2.1930 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7871 0.9780 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 2.3420 -1.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6943 1.9307 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 2.5811 1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9635 1.1138 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -0.4862 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1781 -0.5499 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5685 -1.6205 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 -2.8408 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 -2.9580 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0319 -2.4318 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0561 -0.9955 -2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5261 -3.1937 -0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6086 -3.4479 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 -1.5220 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7365 1.2311 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 1.9233 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1522 1.6007 -1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 3.1409 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9606 3.0867 0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 2.5572 1.1179 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 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 16 11 1 0 20 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 1 8 35 1 0 9 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 M END