HMDB0060947 RDKit 3D desmethylclomipramine 42 44 0 0 0 0 0 0 0 0999 V2000 5.0586 -1.3030 1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6608 -1.3083 0.7914 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -0.3639 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 -0.3086 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 0.0938 0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2741 0.2136 0.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1111 -0.9266 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.0992 0.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 -3.2898 0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 -3.3373 0.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1345 -2.1584 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4895 -0.9795 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4027 0.1624 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3655 0.9307 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1431 1.7732 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 3.0484 -1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4308 3.9592 -1.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1387 3.6786 -0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1753 4.7968 -1.1207 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 2.3882 -0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 1.4381 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1141 -1.5630 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5586 -2.0851 0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 -0.2973 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -2.2528 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 0.6573 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2159 -0.4504 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -1.2713 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 0.4325 -1.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 0.9326 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 -0.6286 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 -2.0907 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -4.2410 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -4.2498 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -2.2156 1.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 -0.1940 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2013 0.8744 1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 1.6023 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4596 0.2839 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 3.2667 -1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6771 4.9505 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 2.1307 -0.2821 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 2 0 8 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 6 1 0 12 7 1 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 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 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 20 42 1 0 M END