HMDB0246356 RDKit 3D N-Phenyl-p-phenylenediamine 26 27 0 0 0 0 0 0 0 0999 V2000 4.8117 0.6393 -0.2194 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 0.2193 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 0.9397 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 0.5171 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7647 -0.6194 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -1.1383 -0.1002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 -0.4666 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9404 0.8853 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.5268 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 0.8001 0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 -0.5504 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -1.1609 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7619 -1.3275 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 -0.9236 -0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 -0.0203 -0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 1.6481 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 1.8398 1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4751 1.1008 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 -2.1898 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 1.5168 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2956 2.5821 -0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 1.2427 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9847 -1.1071 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8288 -2.2164 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4916 -2.2535 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8351 -1.4843 -1.3291 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 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 5 13 1 0 13 14 2 0 14 2 1 0 12 7 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 M END