HMDB0302247 RDKit 3D Lirodenine 50 53 0 0 0 0 0 0 0 0999 V2000 -3.2394 5.5300 2.3192 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 4.4889 1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4996 3.1892 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 2.0230 2.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 0.7866 1.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 0.6770 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 -0.9221 0.0529 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5784 -1.9307 1.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9551 -1.4095 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8255 -2.7330 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4184 -3.2342 -2.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -2.3554 -3.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2689 -1.0476 -3.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 -0.5724 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 -1.1303 -0.1713 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1721 -2.1994 -1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6302 -1.8142 1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -1.2864 2.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7312 -1.7926 3.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -2.8218 3.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0553 -3.3425 2.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -2.8320 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 0.3762 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1932 1.2763 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 2.4611 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0437 2.7500 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 3.9857 -1.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 4.9548 -2.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 1.8646 -2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.6989 -1.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 1.8553 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 3.0742 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 2.1258 2.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9712 -0.0746 2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 -3.4487 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3029 -4.2676 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6114 -2.7226 -4.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 -0.3794 -4.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 0.4571 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -0.4740 2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -1.3810 4.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 -3.2110 4.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7705 -4.1438 2.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -3.2397 0.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 1.1040 1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1787 3.1702 0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7863 2.1033 -3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 0.0171 -2.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 1.7999 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 3.9979 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 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 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 15 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 3 0 26 29 1 0 29 30 2 0 6 31 1 0 31 32 2 0 32 3 1 0 14 9 1 0 22 17 1 0 30 23 1 0 4 33 1 0 5 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 29 47 1 0 30 48 1 0 31 49 1 0 32 50 1 0 M END