HMDB0254393 RDKit 3D Meclastine 50 52 0 0 0 0 0 0 0 0999 V2000 2.5560 1.0522 -1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3377 0.3587 -0.2085 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 1.0807 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1789 0.4589 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 0.2748 2.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 0.3538 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9008 -0.8361 1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7136 -0.9919 0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 0.0625 0.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -0.1885 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 -0.3304 -1.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -1.4125 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -1.6211 1.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9501 -2.7709 1.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 -3.6941 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -3.4730 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 -2.3163 -0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1196 1.0132 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 2.2482 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 3.3873 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6727 3.2914 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 4.7532 0.0412 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 2.0478 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 0.9166 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 0.3183 -1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7344 1.6194 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2192 1.7420 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 2.1390 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2150 0.9401 -0.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8711 1.1702 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -0.4999 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0314 -0.7052 2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9156 1.0443 2.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 1.3131 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 -1.7345 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 -0.7719 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -1.9021 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -1.1992 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 0.5398 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -0.2489 -2.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -1.2928 -2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 -0.9454 2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 -2.9608 2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -4.5766 1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3821 -4.1809 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -2.1941 -1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5268 2.3737 -0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 4.3819 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2725 2.0028 0.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8978 -0.0370 0.1984 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 6 2 1 0 17 12 1 0 24 18 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 19 47 1 0 20 48 1 0 23 49 1 0 24 50 1 0 M END