HMDB0060654 RDKit 3D Citalopram N-oxide 46 48 0 0 0 0 0 0 0 0999 V2000 5.0274 -0.0495 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 0.2002 -0.0947 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9733 1.5097 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7337 -0.7027 0.8870 O 0 0 0 0 0 1 0 0 0 0 0 0 2.6709 0.1962 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 -0.1194 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 -0.1212 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -0.3948 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3093 -1.6992 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 -2.7137 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -3.9414 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 -4.2411 1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8503 -5.4341 1.9171 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 -3.2657 1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -2.0351 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 -0.5037 -1.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 0.7522 -2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5019 1.4629 -0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2011 2.5890 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1695 3.0689 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9024 4.2583 1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4884 5.2129 1.5170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 2.3751 1.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7079 1.2278 1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7377 0.7452 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8518 -0.8980 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8271 -0.2719 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3485 0.8696 -1.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 1.7258 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8355 1.4618 1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1715 2.2409 -0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 -0.6486 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 1.1245 -1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3399 0.5185 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5364 -1.1794 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 0.8706 -1.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 -0.8512 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 -2.5411 -1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8808 -4.6957 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 -3.4506 2.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -1.3319 1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 0.7679 -2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 1.2723 -2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 3.1090 -1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 2.7692 2.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1486 0.7613 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 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 12 14 1 0 14 15 2 0 8 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 3 0 20 23 2 0 23 24 1 0 24 25 2 0 25 8 1 0 15 9 1 0 25 18 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 10 38 1 0 11 39 1 0 14 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 23 45 1 0 24 46 1 0 M CHG 2 2 1 4 -1 M END