HMDB0014349 RDKit 3D Dofetilide 56 57 0 0 0 0 0 0 0 0999 V2000 0.0472 -1.9704 -1.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 -1.0467 -0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3628 0.2311 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 0.1477 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 1.4169 -0.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 1.5395 -0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6138 0.4383 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0019 0.5369 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6319 1.7340 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 1.9682 0.1078 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0184 1.3564 1.3270 S 0 0 0 0 0 6 0 0 0 0 0 0 9.0270 -0.4160 1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4170 1.8991 1.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5222 1.7360 2.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8202 2.8343 -0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4604 2.7562 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -0.9632 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4358 -0.3176 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8882 -0.2381 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7502 -1.2598 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1072 -1.1882 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6288 -0.0589 -0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0264 0.0342 0.0427 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9171 -1.2665 0.7228 S 0 0 0 0 0 6 0 0 0 0 0 0 -8.2736 -1.6964 2.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8357 -2.5141 -0.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3598 -0.8922 0.8866 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7388 0.9351 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 0.8822 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8669 -2.6160 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 -1.4898 -2.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 -2.6519 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1152 0.6857 -1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.8736 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -0.4981 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1067 -0.2076 0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -0.5161 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5531 -0.3484 0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4594 2.5750 -0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 -0.7305 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -0.7634 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2289 -0.8024 1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2756 3.7940 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 3.6270 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -0.4760 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -2.0047 0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -0.8842 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0449 0.7272 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3481 -2.1372 -1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7661 -1.9937 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5278 0.9222 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9995 -0.7523 2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3394 -2.2984 2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0364 -2.1855 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0847 1.8320 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 1.7013 0.1152 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 11 14 2 0 9 15 1 0 15 16 2 0 2 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 24 27 2 0 22 28 1 0 28 29 2 0 16 6 1 0 29 19 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 7 37 1 0 8 38 1 0 10 39 1 0 12 40 1 0 12 41 1 0 12 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 20 49 1 0 21 50 1 0 23 51 1 0 25 52 1 0 25 53 1 0 25 54 1 0 28 55 1 0 29 56 1 0 M END