HMDB0259690 RDKit 3D 3-Des(dimethylaminoethyl)-3-acetic acid zolmitriptan 34 36 0 0 0 0 0 0 0 0999 V2000 2.2732 1.6571 1.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 1.8026 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5628 3.0566 -0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 0.6174 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6932 -0.5889 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3374 -1.5765 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 -2.4869 0.8956 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2068 -2.1355 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0579 -2.7035 0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1289 -2.0992 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -0.8979 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 -0.2225 -1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8623 0.7242 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5608 0.1887 0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9797 1.4151 1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 2.4321 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0891 3.6080 1.1664 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 1.8533 -0.2365 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -0.3279 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -0.9320 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 3.8846 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1193 0.7779 -1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 0.4775 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 -1.5703 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.3547 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 -3.6468 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 -2.6120 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7656 -0.9985 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6929 0.3207 -2.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 1.1497 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4904 -0.3674 0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 -0.2959 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2084 2.2306 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 0.6205 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 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 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 11 19 1 0 19 20 2 0 20 5 1 0 20 8 1 0 18 13 1 0 3 21 1 0 4 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 18 33 1 0 19 34 1 0 M END