HMDB0254104 RDKit 3D Linopirdine 51 55 0 0 0 0 0 0 0 0999 V2000 0.6033 1.6030 -1.2791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 0.6453 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 0.1322 0.0483 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1996 0.5002 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5225 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1121 1.9026 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8135 1.2209 -0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2392 0.1891 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -0.1664 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 -0.9094 0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 -1.7266 1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -2.6672 2.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3879 -2.8125 2.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -2.0012 1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -1.0526 1.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -0.0685 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 0.9014 0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7987 2.1382 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 2.2500 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 3.4326 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 4.5085 -0.8421 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 4.4621 -0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 3.2981 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1185 -0.8052 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -1.6356 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2937 -2.9795 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4362 -3.7482 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 -3.2303 -0.9843 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 -1.9690 -1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 -1.1718 -1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 2.0766 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 2.7047 0.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8291 1.4824 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -0.3268 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 -0.9799 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -1.6272 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3993 -3.2984 3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 -3.5384 3.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -2.1498 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1997 0.4512 1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6324 1.2112 1.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7665 1.4343 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 3.4885 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 5.3678 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 3.3178 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 -0.0286 -1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 -1.3590 -1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 -3.4580 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4072 -4.7765 -0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6234 -1.5837 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6849 -0.1709 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 3 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 16 2 1 0 23 18 1 0 30 25 1 0 9 4 1 0 15 10 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 26 48 1 0 27 49 1 0 29 50 1 0 30 51 1 0 M END