HMDB0041885 RDKit 3D Ebrotidine 43 44 0 0 0 0 0 0 0 0999 V2000 -7.4185 -1.3424 1.6759 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -1.2807 1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1544 -0.8153 1.7216 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -1.6663 -0.2936 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -1.0184 -1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5188 -0.0087 -1.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8015 0.4509 -2.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 1.6004 -1.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 0.9693 -1.3767 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1797 0.1712 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.3175 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1765 0.7879 0.4488 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 0.9480 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 2.0462 -0.4289 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 1.7516 -0.8544 S 0 0 0 0 0 6 0 0 0 0 0 0 4.6607 1.1185 -2.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3488 3.0161 -0.8721 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2023 0.5831 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 -0.7621 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5932 -1.6838 0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 -1.2843 2.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8895 -2.5385 3.3936 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3072 0.0742 2.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8141 0.9983 1.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9491 -0.1518 -3.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1201 -1.3489 -2.9034 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3132 -1.6734 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -1.5299 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8468 0.1794 1.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8081 -2.4466 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 2.3032 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 2.1224 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 -0.7331 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4426 0.8429 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 -1.0734 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -0.7222 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 0.2499 -1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 3.0090 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -1.1087 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5088 -2.7396 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 0.3690 3.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8938 2.0617 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 0.1096 -4.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 7 25 2 0 25 26 1 0 26 5 1 0 24 18 1 0 1 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 8 31 1 0 8 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 13 37 1 0 14 38 1 0 19 39 1 0 20 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 M END