HMDB0014864 RDKit 3D Trimipramine 48 50 0 0 0 0 0 0 0 0999 V2000 1.1646 -0.9441 1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 -0.8824 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8492 -1.0009 -0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.0619 0.2753 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 1.2632 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 -0.5749 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7101 0.3446 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 0.3073 -0.4704 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 1.2997 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5692 2.5021 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 3.5316 1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9742 3.3682 2.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 2.1407 2.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 1.0811 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 -0.1711 1.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -0.6439 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7762 -1.0937 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -2.0955 -1.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 -2.6623 -2.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 -2.2359 -2.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -1.2325 -2.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 -0.7056 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0754 -0.9695 1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 -0.0306 1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6836 -1.8228 1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 -1.8088 -0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -1.0673 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 -2.0626 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 1.3897 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 1.6470 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 1.9898 0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -0.0595 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4906 -0.3481 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1133 -1.6841 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 1.1200 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0695 0.6241 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1993 2.5505 -0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 4.4904 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2849 4.2038 2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 2.0087 2.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -0.9749 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 -0.0099 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3119 0.2333 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3857 -1.4865 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3695 -2.4737 -1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 -3.4464 -3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8717 -2.6571 -3.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 -0.8890 -2.4235 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 4 6 1 0 2 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 8 1 0 14 9 1 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 M END