HMDB0001848 RDKit 3D Imipramine 45 47 0 0 0 0 0 0 0 0999 V2000 4.6573 -1.0244 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 0.2657 -0.2134 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 1.3316 -0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0412 0.4239 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7756 0.0282 -0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6392 0.2449 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7074 0.0189 0.2801 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2688 -1.2895 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -2.2577 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -3.5850 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 -3.9861 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 -3.0168 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -1.6842 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7293 -0.8082 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8653 0.2821 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8971 1.3433 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5443 2.5332 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7856 3.6205 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 3.5268 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7975 2.2875 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 1.1823 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 -1.1549 -1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9099 -1.7753 -0.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5795 -1.2496 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2620 1.7562 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1303 0.9395 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 2.1367 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9044 1.4845 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 -0.1537 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9335 -0.9065 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 0.7887 -1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 1.2449 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 -0.3435 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6262 -1.9727 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -4.3709 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -5.0505 -0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 -3.2770 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7068 -0.3197 -1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -1.4126 -0.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5476 -0.1856 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9013 0.6577 0.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 2.6196 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2474 4.5839 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 4.3550 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 2.1691 -0.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 7 1 0 13 8 1 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 9 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 M END