HMDB0060611 RDKit 3D N-Desmethyl tapentadol 36 36 0 0 0 0 0 0 0 0999 V2000 0.7231 -2.2761 1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 -0.8445 2.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 0.0109 0.9967 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2481 0.1442 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 -0.8280 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -0.7063 -1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3994 0.4157 -1.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 1.4149 -0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 2.5447 -0.8794 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0718 1.2761 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 -0.2260 0.3030 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3134 0.0860 1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 0.5263 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 0.3321 -1.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 0.8202 -1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7762 -2.3926 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 -2.8473 2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -2.7569 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -0.8480 2.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -0.4494 2.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 1.0597 1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -1.7257 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8344 -1.4956 -2.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2227 0.5476 -2.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7457 2.5231 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 2.0563 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 -1.3323 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 0.2321 2.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 1.0951 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1251 -0.6332 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2121 1.6344 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 0.3315 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 -0.5643 -2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4433 0.7754 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 1.9083 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 0.1916 -0.5375 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 3 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 10 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 1 5 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 11 27 1 6 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 M END