@MOLECULE paroxetine 44 47 0 0 0 SMALL USER_CHARGES @ATOM 1 F -2.1596 -3.9110 0.1320 F 1 UNL11111111111 -0.0214 2 O 1.0799 1.9945 1.2123 O.3 1 UNL11111111111 -0.0541 3 O -3.5498 0.5186 0.9525 O.3 1 UNL11111111111 -0.0293 4 O -3.8114 1.5474 -1.1549 O.3 1 UNL11111111111 -0.0800 5 N 4.8319 0.6578 -0.3146 N.3 1 UNL11111111111 -0.7257 6 C 2.0288 -0.2545 -0.4263 C.3 1 UNL11111111111 -0.2228 7 C 2.6701 0.2025 0.9006 C.3 1 UNL11111111111 0.1909 8 C 3.1106 -0.8659 -1.3388 C.3 1 UNL11111111111 -0.5792 9 C 3.7985 1.2138 0.5792 C.3 1 UNL11111111111 -0.3846 10 C 4.2349 0.1611 -1.5707 C.3 1 UNL11111111111 -0.1587 11 C 1.6485 0.8506 1.8429 C.3 1 UNL11111111111 -0.9274 12 C 0.9195 -1.2531 -0.2501 C.ar 1 UNL11111111111 0.1273 13 C -0.2089 -1.1458 -1.0718 C.ar 1 UNL11111111111 -0.1583 14 C 0.9982 -2.2841 0.6877 C.ar 1 UNL11111111111 -0.2742 15 C -1.2620 -2.0468 -0.9560 C.ar 1 UNL11111111111 -0.2806 16 C -0.0466 -3.1943 0.8310 C.ar 1 UNL11111111111 -0.2025 17 C -0.1436 1.8305 0.6291 C.ar 1 UNL11111111111 0.2706 18 C -1.1584 -3.0521 0.0040 C.ar 1 UNL11111111111 0.0349 19 C -1.1960 1.1449 1.2721 C.ar 1 UNL11111111111 -0.3461 20 C -0.2867 2.4703 -0.6041 C.ar 1 UNL11111111111 -0.4277 21 C -2.3797 1.1211 0.5775 C.ar 1 UNL11111111111 0.0280 22 C -2.5339 1.7474 -0.6826 C.ar 1 UNL11111111111 -0.1368 23 C -1.5126 2.4371 -1.2893 C.ar 1 UNL11111111111 -0.1258 24 C -4.4726 0.7689 -0.1347 C.3 1 UNL11111111111 -0.2761 25 H 1.6224 0.6627 -0.9330 H 1 UNL11111111111 0.2380 26 H 3.1150 -0.6777 1.4210 H 1 UNL11111111111 0.1727 27 H 2.6652 -1.1692 -2.3034 H 1 UNL11111111111 0.2004 28 H 3.5148 -1.7901 -0.8902 H 1 UNL11111111111 0.2489 29 H 3.3678 2.1223 0.0998 H 1 UNL11111111111 0.2744 30 H 4.2928 1.5590 1.5110 H 1 UNL11111111111 0.2181 31 H 5.0444 -0.2779 -2.1914 H 1 UNL11111111111 0.1757 32 H 3.8452 1.0371 -2.1355 H 1 UNL11111111111 0.1791 33 H 2.1343 1.2930 2.7345 H 1 UNL11111111111 0.3489 34 H 0.8870 0.1226 2.1701 H 1 UNL11111111111 0.3341 35 H 5.3505 -0.0841 0.1529 H 1 UNL11111111111 0.4089 36 H -0.2708 -0.3417 -1.8070 H 1 UNL11111111111 0.1609 37 H 1.8822 -2.3859 1.3150 H 1 UNL11111111111 0.2188 38 H -2.1394 -1.9620 -1.5938 H 1 UNL11111111111 0.2014 39 H 0.0097 -3.9926 1.5678 H 1 UNL11111111111 0.2230 40 H -1.0807 0.6791 2.2431 H 1 UNL11111111111 0.2689 41 H 0.5611 3.0012 -1.0313 H 1 UNL11111111111 0.2248 42 H -1.6374 2.9295 -2.2490 H 1 UNL11111111111 0.2052 43 H -5.3013 1.3689 0.2647 H 1 UNL11111111111 0.2191 44 H -4.7417 -0.2025 -0.5724 H 1 UNL11111111111 0.2384 @BOND 1 27 8 1 2 42 23 1 3 31 10 1 4 32 10 1 5 36 13 1 6 38 15 1 7 10 8 1 8 10 5 1 9 8 28 1 10 8 6 1 11 23 22 ar 12 23 20 ar 13 4 22 1 14 4 24 1 15 13 15 ar 16 13 12 ar 17 41 20 1 18 15 18 ar 19 25 6 1 20 22 21 ar 21 20 17 ar 22 44 24 1 23 6 12 1 24 6 7 1 25 5 35 1 26 5 9 1 27 12 14 ar 28 24 43 1 29 24 3 1 30 18 1 1 31 18 16 ar 32 29 9 1 33 21 3 1 34 21 19 ar 35 9 7 1 36 9 30 1 37 17 2 1 38 17 19 ar 39 14 16 ar 40 14 37 1 41 16 39 1 42 7 26 1 43 7 11 1 44 2 11 1 45 19 40 1 46 11 34 1 47 11 33 1