HMDB0015289 RDKit 3D Bretylium 30 30 0 0 0 0 0 0 0 0999 V2000 -3.3610 0.1218 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -0.7936 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 -0.0870 -0.2220 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.2605 -0.7946 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 1.1802 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1525 0.3298 0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 0.1013 0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.1744 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -1.3412 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 -0.1936 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2454 1.0725 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9605 1.2211 0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 2.9773 0.5530 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 0.6801 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5746 0.7576 -0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 -0.5483 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 -1.4377 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -1.4699 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6562 -0.2980 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9819 -0.7392 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 -1.8734 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 1.8475 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 0.8524 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 1.5404 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3767 1.3022 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3177 -0.4595 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 -2.0620 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -2.3222 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 -0.3591 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 1.9699 -0.6935 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 3 5 1 0 3 6 1 0 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 12 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 M CHG 1 3 1 M END