HMDB0060993 RDKit 3D demethylmaprotiline 41 44 0 0 0 0 0 0 0 0999 V2000 4.2247 0.4155 -0.6109 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9997 0.1626 0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 0.5336 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 -0.2855 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 -0.0789 0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3407 -0.2799 1.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -0.2618 1.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 -0.1250 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 1.1166 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 2.1374 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 3.2480 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6723 3.2902 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1043 2.2131 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 1.1159 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 -1.2415 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6219 -2.2072 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9459 -3.1774 -1.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -3.1587 -1.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -2.1625 -1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5089 -1.2330 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4957 -0.4386 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 0.9692 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6033 0.9068 1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2101 -0.8813 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 1.5947 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 0.3677 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.3573 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 -0.2640 -0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0561 0.5587 2.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -1.2108 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2061 0.5778 2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 -1.1838 2.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5442 -0.1225 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 2.1275 -0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 4.0573 -1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 4.1469 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 2.3340 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 -2.1771 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 -3.9628 -2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -3.9020 -2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 -2.1620 -1.1330 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 5 1 0 20 15 1 0 20 5 1 0 14 9 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END