HMDB0061725 RDKit 3D Rilpivirine 46 48 0 0 0 0 0 0 0 0999 V2000 -2.4427 -2.1208 1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0838 -1.0960 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3904 -0.6565 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0114 0.2882 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3613 0.7491 0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1265 0.3323 1.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4762 0.8597 1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5418 1.2661 1.6646 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2742 0.7944 -0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 0.3596 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 0.9048 -2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3674 -0.5900 -0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 -1.0073 -0.7459 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 -0.3807 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 0.6944 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 1.3107 1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 0.8042 0.7897 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4691 -0.2257 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7091 -0.7656 -0.4337 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 -0.3393 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0735 -1.0978 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 -0.6964 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 0.4191 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9356 0.7569 0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0290 1.0285 1.1658 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5004 1.1402 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 0.7700 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 -0.8142 -0.5319 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 -2.9991 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5386 -1.7457 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 -2.4750 2.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9185 -1.0857 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7784 1.4947 -0.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 -0.4111 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7587 1.5400 -1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.1738 -2.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 1.0460 -3.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7078 1.8533 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 -1.8265 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 1.0524 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 2.1490 1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -1.6028 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8820 -1.9664 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 -1.2920 -0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 2.0142 1.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 1.3929 1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 3 0 4 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 3 0 23 26 1 0 26 27 2 0 18 28 2 0 12 2 1 0 28 14 1 0 27 20 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 26 45 1 0 27 46 1 0 M END