HMDB0251775 RDKit 3D Emivirine 44 45 0 0 0 0 0 0 0 0999 V2000 4.3786 0.8230 0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3605 -0.0054 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 -0.6199 -1.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 0.3740 -1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9281 -0.2660 -1.5508 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 -0.6425 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3658 -0.3961 0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 0.7537 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 0.5544 2.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 1.5976 3.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 2.8625 2.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8779 3.0523 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 2.0267 0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1663 -1.2668 -0.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 -1.6595 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 -2.7514 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -0.4584 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 -1.4657 -2.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 -2.0340 -2.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -1.0938 -3.2666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -0.5027 -2.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5132 -0.1627 -3.7556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7317 0.4273 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0152 1.8408 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4225 0.9056 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 0.6432 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1231 -0.8137 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 0.9548 -2.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2197 1.0268 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -0.2605 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -1.2957 1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8817 -0.4198 3.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 1.4075 4.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 3.6795 3.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 4.0579 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1942 2.1835 -0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7418 -2.0434 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9292 -2.3408 -1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6198 -3.5454 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5916 -3.3089 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 -0.5820 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2475 -0.4403 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 0.4897 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 -1.2855 -4.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 14 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 21 5 1 0 13 8 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 4 28 1 0 4 29 1 0 7 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 20 44 1 0 M END