HMDB0247397 RDKit 3D N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine 44 45 0 0 0 0 0 0 0 0999 V2000 -5.5301 -1.3135 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7294 -0.3248 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1973 -0.2437 -2.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 -0.6291 -0.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 -0.5542 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 0.8170 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.0302 1.1730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 -0.4677 0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 -1.1825 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 -0.6326 0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 0.5956 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 1.1497 -0.6398 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6869 0.8512 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 0.3949 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1820 0.0848 1.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2881 0.2243 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0599 0.6812 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 0.9899 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 1.3065 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2298 0.7583 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -2.3470 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5587 -1.0317 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5906 -1.2606 -0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9092 0.6763 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 0.0205 -2.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6938 -1.1996 -2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0025 0.5380 -2.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 0.0960 -1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -1.6584 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5351 -1.2484 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8846 0.7864 2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 1.2199 2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3258 1.5846 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 -1.9032 1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 -2.1652 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0024 -1.2237 0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 1.8638 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0773 0.2868 1.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 -0.2765 2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2753 -0.0168 1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9431 0.7907 -1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6457 1.3520 -1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 2.2621 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1107 1.3788 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 5 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 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 20 8 1 0 18 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 9 35 1 0 10 36 1 0 12 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 M END