HMDB0060463 RDKit 3D Citalopram propionic acid 37 39 0 0 0 0 0 0 0 0999 V2000 5.8407 -2.2959 0.8329 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7609 -1.9112 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4129 -1.4165 0.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4351 -1.5788 1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -1.1214 1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8313 -0.4610 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -0.2906 -0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0499 -0.7628 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 0.4218 -2.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 0.2566 -1.8381 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 0.1515 -0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 -0.6781 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 -2.0538 -0.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7919 -2.7953 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 -2.2453 0.3669 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 -4.1039 -0.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 1.5057 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 2.6284 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9954 3.8806 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1684 4.0420 1.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 5.2863 1.7329 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0933 2.9357 2.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 1.7097 1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 -2.0920 2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 -1.2615 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8072 -0.6203 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3887 -0.1669 -2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 1.4511 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 -0.6886 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -0.1217 -0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 -1.9348 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6382 -2.5343 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 -4.2892 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 2.5266 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0529 4.7565 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 3.0614 3.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 0.8101 2.0575 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 14 16 1 0 11 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 8 3 1 0 23 17 1 0 11 6 1 0 4 24 1 0 5 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 16 33 1 0 18 34 1 0 19 35 1 0 22 36 1 0 23 37 1 0 M END