HMDB0259933 RDKit 3D XIPAMIDE 38 39 0 0 0 0 0 0 0 0999 V2000 -2.2229 -1.9558 -1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -1.1519 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -1.7065 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5291 -0.9867 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0852 0.2795 1.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0379 0.8403 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 2.1977 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3786 0.1373 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 0.5920 -0.9871 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 0.7666 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 1.4733 -2.4522 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9979 0.4005 -0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.7197 -0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 0.3869 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 0.8007 -0.9544 S 0 0 0 0 0 6 0 0 0 0 0 0 5.9602 -0.6175 -1.2253 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 1.6294 0.1052 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8825 1.6320 -2.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3418 -0.2863 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8268 -0.7172 1.7177 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 -0.6261 1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 -0.2723 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.6306 1.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 -1.6557 -2.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 -1.7447 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3459 -3.0169 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -2.7180 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3515 -1.4257 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6038 0.8269 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 2.7462 0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 2.7357 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 2.2386 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 2.4172 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3497 1.2481 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5717 -0.8141 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3079 -1.4558 -1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0341 -1.1619 2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -1.1246 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 3 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 15 18 2 0 14 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 8 2 1 0 22 12 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 7 31 1 0 7 32 1 0 11 33 1 0 13 34 1 0 16 35 1 0 16 36 1 0 21 37 1 0 23 38 1 0 M END