HMDB0060472 RDKit 3D Didemethylcitalopram 39 41 0 0 0 0 0 0 0 0999 V2000 6.1405 -1.3552 -0.9414 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 -1.0658 -0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6505 -0.6914 -0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -0.3712 -1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5351 -0.0192 -1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 0.0317 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 -0.2918 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1233 -0.6488 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 -0.1737 2.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 0.3013 1.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 0.3575 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -0.6245 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0831 -2.0283 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2423 -2.9006 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0657 -4.2780 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 1.7101 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 2.0181 -1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 3.2713 -1.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7686 4.2829 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 5.5129 -0.9626 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 3.9904 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 2.7334 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -0.3984 -2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9305 0.2262 -2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 -0.8965 1.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 -1.1526 2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4622 0.5198 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 -0.2776 0.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 -0.5979 -1.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -2.1530 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 -2.3326 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2449 -2.7863 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 -2.4484 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -4.9304 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -4.5095 0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1986 1.2685 -1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 3.4669 -2.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 4.7363 1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 2.5043 2.0149 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 1 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 14 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 18 37 1 0 21 38 1 0 22 39 1 0 M END