HMDB0240239 RDKit 3D Embramine 43 44 0 0 0 0 0 0 0 0999 V2000 4.4618 0.1723 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3752 -0.2568 0.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -0.9013 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 0.9317 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 0.7410 -1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4634 -0.0934 -0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 0.0127 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 0.0022 1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -1.2484 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -1.4725 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 -2.6004 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -3.5478 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8355 -3.3601 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -2.2240 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3979 1.0911 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 1.2384 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9365 2.2095 -1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3197 3.0499 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6245 4.4175 -0.5200 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.7277 2.8859 0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 1.9040 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -0.6886 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 0.9212 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 0.7079 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 -2.0123 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 -0.6585 -2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -0.7194 -1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2869 1.3449 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2579 1.7182 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9895 1.7897 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8092 0.5685 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3966 -0.5435 2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4408 0.9677 2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1998 -0.5854 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 -0.7016 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -2.7537 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 -4.4394 0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6909 -4.1141 -1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -2.0791 -1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 0.6112 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4074 2.3512 -2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 3.5325 1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3593 1.8309 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 14 9 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 21 43 1 0 M END