HMDB0015670 RDKit 3D Alcaftadine 44 47 0 0 0 0 0 0 0 0999 V2000 4.5867 0.0679 1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 0.0981 0.6737 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0191 1.4402 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 1.5647 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9993 0.2079 -0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 0.0534 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 -1.2857 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -2.1760 0.8388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -3.4852 1.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -3.8717 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4711 -2.9929 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0942 -1.6502 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2598 -0.8113 -0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 0.5705 -0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 1.4524 0.1788 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 2.6632 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 3.2728 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2219 4.4048 0.9667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5771 3.1557 1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5482 2.2639 1.3133 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 1.2584 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8063 -0.8400 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 -0.8720 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4334 -0.4509 2.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 -0.4624 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 1.0860 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9601 2.0473 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.9088 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 1.6142 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 2.3766 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1398 -1.7892 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 -4.1896 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7989 -4.9228 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -3.2326 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 -0.7415 0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 -1.3825 -0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 0.5330 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 1.0630 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 2.7803 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 4.0913 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 -0.4145 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3363 -1.7918 -1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -1.8720 0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9613 -0.7396 -1.1984 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 2 3 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 1 0 16 17 1 0 17 18 2 0 16 19 2 0 19 20 1 0 20 21 2 0 5 22 1 0 22 23 1 0 23 2 1 0 21 6 1 0 12 7 1 0 21 15 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 17 39 1 0 19 40 1 0 22 41 1 0 22 42 1 0 23 43 1 0 23 44 1 0 M END