HMDB0248541 RDKit 3D Aptiganel 44 46 0 0 0 0 0 0 0 0999 V2000 -6.0004 -0.5795 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8450 0.2021 1.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 0.7934 0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 2.0540 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 2.5627 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 1.8012 -1.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 0.5388 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -0.2542 -1.0871 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 -1.1060 -2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -0.2645 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 0.7473 0.4604 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1689 -1.1932 -0.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 -1.3984 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7803 -2.5415 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -2.7788 1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9634 -1.8208 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7199 -0.6624 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 0.2540 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4866 1.3791 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 1.6009 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 0.6742 -1.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 -0.4624 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 0.0568 0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3592 -0.2135 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8483 -0.4717 1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7612 -1.6731 1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1870 0.9711 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 -0.5156 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0018 2.6432 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 3.5529 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5959 2.2298 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1669 -1.5756 -2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 -0.5285 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4113 -1.9341 -2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 0.5086 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 1.7072 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 -3.2591 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -3.6696 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9586 -1.9471 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6904 0.0824 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2573 2.1063 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0396 2.4971 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 0.8314 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6786 -0.9447 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 3 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 7 23 2 0 23 3 1 0 22 13 1 0 22 17 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 9 32 1 0 9 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 23 44 1 0 M END