HMDB0060462 RDKit 3D Citalopram aldehyde 36 38 0 0 0 0 0 0 0 0999 V2000 6.1931 -0.9920 -0.8162 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0577 -0.9569 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6577 -0.9231 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.8502 -0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 -1.7847 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 -0.8072 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8759 0.1244 0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 0.0585 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 1.0196 1.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 0.1114 2.2265 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -0.3663 0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4623 -1.2682 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 -1.6778 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 -2.5901 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -3.0517 -1.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 0.8867 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 1.6181 0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 2.7807 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7802 3.1907 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 4.3373 -1.4299 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 2.4808 -1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 1.3093 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -2.6318 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 -2.5466 -0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8995 0.7810 1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 1.8538 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 1.3544 2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2563 -2.1929 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -0.7178 1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 -2.1984 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2945 -0.7589 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4722 -2.8161 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1586 1.3155 1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 3.3657 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 2.8050 -2.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 0.7380 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 11 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 8 3 1 0 22 16 1 0 11 6 1 0 4 23 1 0 5 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 17 33 1 0 18 34 1 0 21 35 1 0 22 36 1 0 M END