HMDB0061021 RDKit 3D N-desalkyl delavirdine 51 54 0 0 0 0 0 0 0 0999 V2000 7.3257 1.8947 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 0.4811 -0.8668 S 0 0 0 0 0 6 0 0 0 0 0 0 8.6719 0.8985 -1.9383 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4343 -0.5417 -0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 -0.1681 -1.5937 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 -0.6675 -0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 -1.4727 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 -1.9405 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1558 -1.6019 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 -1.8921 1.3661 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -1.3074 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4147 -1.4414 1.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6364 -2.0831 2.1923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5825 -0.9287 0.4464 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8652 -1.1515 1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0586 -1.1072 0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 0.0615 -0.6545 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7203 1.1540 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3601 2.4059 -0.1877 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2405 3.4141 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 3.1961 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0020 1.9476 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0632 0.9370 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5129 -0.3522 -1.0973 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -0.0909 -1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 -0.2706 -0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5437 -0.6219 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 -0.8119 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9626 -0.3425 -1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9309 1.8546 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2286 1.8733 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6111 2.8221 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -0.1962 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5295 -1.7612 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -2.5772 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 -2.5008 2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 -2.0788 1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -0.3110 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 -0.9567 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2101 -2.0188 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 4.4200 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3235 3.9895 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0563 1.7087 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -0.6902 -2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0219 -0.9680 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6848 0.6867 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9376 -1.0440 -2.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0202 0.7633 -0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 -0.8898 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -0.0111 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 0.2889 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 2 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 17 25 1 0 25 26 1 0 11 27 2 0 27 28 1 0 28 29 2 0 29 6 1 0 28 9 1 0 26 14 1 0 23 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 0 7 34 1 0 8 35 1 0 10 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 24 44 1 0 24 45 1 0 25 46 1 0 25 47 1 0 26 48 1 0 26 49 1 0 27 50 1 0 29 51 1 0 M END