HMDB0060846 RDKit 3D N-Monodemethylolopatadine 45 47 0 0 0 0 0 0 0 0999 V2000 4.8814 -1.3148 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 -0.8801 0.7218 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 -1.4724 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -1.0747 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.5587 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 -0.7963 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2432 -1.4368 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9087 -2.4574 -1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9874 -3.1614 -1.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2844 -2.7942 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5613 -1.7470 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4984 -1.0110 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 0.0479 0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 0.9052 1.3552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 1.3732 0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 2.6572 1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2825 3.1861 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 2.3837 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 2.9452 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 3.5355 -1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 3.5030 -2.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 4.1095 -2.0861 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 1.0639 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 0.6338 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.5796 -1.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3123 -2.2069 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6735 -0.5389 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6921 -1.2068 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -2.5758 0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6271 -1.2131 -1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -1.7971 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 -0.2493 1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0819 -2.6192 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 -2.6732 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 -3.9758 -2.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 -3.3372 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -1.4782 -0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 0.6907 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6122 -0.4201 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 3.2648 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 4.2188 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 3.7205 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 2.0958 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 4.7553 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 0.4858 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 2 0 24 6 1 0 12 7 1 0 24 15 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 13 38 1 0 13 39 1 0 16 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 22 44 1 0 23 45 1 0 M END