HMDB0014763 RDKit 3D Efavirenz 30 32 0 0 0 0 0 0 0 0999 V2000 1.2850 -1.9583 3.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -1.3895 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2911 -0.4250 2.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.2379 0.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 1.1941 0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 1.8559 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 1.5382 -1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 2.3711 -3.1243 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 0.5976 -1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -0.0828 -0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -1.0936 0.0937 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9440 -0.4549 -0.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 0.0748 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 0.7121 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 1.1117 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -0.0470 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 -2.2386 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -3.1054 -0.5629 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 -1.8457 -2.1929 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 -2.9450 -0.7577 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 -1.6912 1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 -0.1700 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0815 1.4449 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 2.5935 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 0.3721 -2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 1.3471 -1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6024 0.9305 1.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6619 2.0327 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4309 0.1050 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3993 -1.0724 0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 6 12 13 3 0 13 14 1 0 14 15 1 0 15 16 1 0 11 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 11 21 1 0 21 2 1 0 10 4 1 0 16 14 1 0 3 22 1 0 5 23 1 0 6 24 1 0 9 25 1 0 14 26 1 0 15 27 1 0 15 28 1 0 16 29 1 0 16 30 1 0 M END