HMDB0060621 RDKit 3D n-Demethylated piperazine 65 69 0 0 0 0 0 0 0 0999 V2000 4.4441 -0.8922 4.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2226 -0.6590 3.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 -0.6813 4.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 -0.4634 3.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8706 -0.2265 2.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 -0.0002 1.6421 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6026 0.0582 2.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -0.1021 3.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6818 0.3039 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9861 0.5276 1.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 0.7588 0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8379 0.7794 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 1.0184 -1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2388 0.9403 -1.0637 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2567 1.2079 -2.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2297 0.2228 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0815 -1.1434 -2.7337 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4545 -1.1787 -1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4847 -0.3686 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5591 0.5616 -1.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 0.3283 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -0.2147 1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -0.4199 2.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.4056 1.9049 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 -0.1851 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9822 0.0540 -0.3989 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 0.2668 -1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.2283 -2.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 -0.0149 -1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0114 -0.0613 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4670 0.1319 -2.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8211 0.0729 -2.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 -0.1812 -1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2374 -0.3735 -0.6919 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9212 -0.3157 -0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1827 -0.2135 0.1513 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9156 -1.8733 4.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -0.1109 4.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2168 -0.8550 5.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 -0.8673 5.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -0.4958 4.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 0.1502 0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1259 0.5081 2.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0313 0.9292 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 0.4182 -2.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7976 2.0938 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2434 1.1853 -1.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0833 2.2283 -2.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3776 0.4276 -3.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1532 0.3420 -3.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1431 -1.5298 -2.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4910 -0.8082 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4541 -2.2216 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0380 -0.2040 0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 -0.9441 -0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3812 0.5741 -2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5393 0.1656 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1461 -0.0277 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 -0.5874 2.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.4596 -2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8329 0.3952 -3.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7566 0.3350 -3.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2163 0.2214 -3.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7674 -0.2394 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5124 -0.4666 0.5582 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 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 12 20 1 0 20 21 2 0 5 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 29 36 2 0 23 2 1 0 36 25 1 0 21 9 1 0 35 30 1 0 19 14 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 4 41 1 0 6 42 1 0 10 43 1 0 11 44 1 0 13 45 1 0 13 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 24 59 1 0 27 60 1 0 28 61 1 0 31 62 1 0 32 63 1 0 33 64 1 0 35 65 1 0 M END