HMDB0061002 RDKit 3D norsertraline 34 36 0 0 0 0 0 0 0 0999 V2000 -3.3347 -1.5801 0.9515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4067 -1.3838 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -2.3612 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 -1.6968 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.6212 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7272 -0.1514 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 -0.1055 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 0.3543 1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3497 0.7806 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9895 1.3711 0.3634 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 0.7423 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 1.2819 -2.4476 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5028 0.2830 -1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6577 0.4360 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 1.7826 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 2.7591 -0.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 2.3574 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9252 1.0114 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9712 0.0253 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 -2.3707 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7452 -0.7148 1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9668 -1.5989 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5774 -3.2826 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -2.7074 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 -2.3947 0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 -1.1306 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -1.0729 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 -0.4369 1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 0.3806 2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 0.2763 -2.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 2.1010 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0855 3.8135 -0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 3.0927 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9808 0.7603 -0.0742 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 5 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 2 1 0 13 6 1 0 19 14 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 8 29 1 0 13 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 M END