HMDB0240226 RDKit 3D Levocetirizine 52 54 0 0 0 0 0 0 0 0999 V2000 7.2787 -1.2866 -0.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5808 -0.3996 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8265 -0.1209 1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5459 0.2892 -0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 1.1211 0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 0.5183 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -0.4562 0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 0.2048 -0.4977 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 -0.7287 -1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1439 -0.1808 -1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5526 0.1987 0.0688 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8446 0.0782 0.5541 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4624 -1.2563 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 -1.3871 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 -2.6323 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6986 -3.7622 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4037 -3.6537 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 -2.4008 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7585 1.0917 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 1.8935 0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3505 2.8317 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5197 2.9890 -1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6343 4.1907 -1.6093 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 2.2076 -1.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9442 1.2664 -1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.8975 0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 1.3600 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8565 0.8549 1.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0233 0.9324 -1.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -0.4697 -1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 1.2999 1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6395 -0.0660 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4499 -0.9213 1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 -1.2954 -0.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6185 -0.7710 -2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 -1.7451 -0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0945 0.6722 -1.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -0.9765 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 0.2874 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2929 -0.5046 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3963 -2.7519 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2021 -4.7376 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8921 -4.5610 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7724 -2.3641 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3482 1.7731 1.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 3.4675 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9397 2.3187 -2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 0.6577 -2.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8035 0.2903 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 1.7927 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 2.0144 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 1.9297 -0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 11 26 1 0 26 27 1 0 27 8 1 0 18 13 1 0 25 19 1 0 3 28 1 0 4 29 1 0 4 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 1 14 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 20 45 1 0 21 46 1 0 24 47 1 0 25 48 1 0 26 49 1 0 26 50 1 0 27 51 1 0 27 52 1 0 M END