HMDB0041845 RDKit 3D Cadralazine 41 41 0 0 0 0 0 0 0 0999 V2000 6.9632 0.6400 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 0.1184 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2893 -1.0311 1.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 -0.9688 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6160 -1.9191 -0.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8187 0.0607 -0.0411 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 0.2719 -1.1524 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6179 0.1852 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 -0.9186 -1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -0.9343 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 0.1599 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 0.2509 -0.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -0.7773 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 -1.6230 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1243 1.4355 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7997 1.3096 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2386 0.9329 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0323 0.7080 2.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 1.2175 -0.6104 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 1.2418 -0.6681 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4532 1.1444 0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 -0.2118 0.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 1.3625 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 0.9190 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2918 -0.0218 2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 -2.3641 -1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 0.5078 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -1.7812 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -1.8092 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 -0.3309 -2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 -1.4620 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2772 -1.4818 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 -1.5165 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 -2.7343 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 2.2163 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 1.9745 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 2.4172 1.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8953 1.7507 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5805 0.8570 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 0.0194 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 0.1846 2.6730 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 4 6 2 3 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 11 19 1 0 19 20 2 0 20 8 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 5 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 M END