@MOLECULE s-3-(4-fluoro-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamid 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.4254 0.9101 -0.5582 C.ar 1 UNL111 -0.2106 2 C 7.6715 0.7956 0.0393 C.ar 1 UNL111 -0.1481 3 C 7.8047 -0.0540 1.1417 C.ar 1 UNL111 0.1308 4 F 8.9960 -0.1614 1.7120 F 1 UNL111 -0.1633 5 C 6.7447 -0.7890 1.6642 C.ar 1 UNL111 -0.1467 6 C 5.4915 -0.6739 1.0623 C.ar 1 UNL111 -0.2510 7 C 5.3503 0.1718 -0.0360 C.ar 1 UNL111 0.2246 8 O 4.1936 0.3881 -0.7245 O.3 1 UNL111 -0.3585 9 C 3.0362 -0.3259 -0.2961 C.3 1 UNL111 -0.0994 10 C 1.9518 0.1579 -1.2798 C.3 1 UNL111 0.2409 11 O 1.7092 1.5312 -1.0792 O.3 1 UNL111 -0.5878 12 C 2.3050 -0.1072 -2.7330 C.3 1 UNL111 -0.4891 13 C 0.6346 -0.5687 -0.9301 C.2 1 UNL111 0.5446 14 O 0.6161 -1.7688 -0.7894 O.2 1 UNL111 -0.4944 15 N -0.4923 0.2352 -0.8050 N.am 1 UNL111 -0.5327 16 C -1.7786 -0.2269 -0.4934 C.ar 1 UNL111 0.2639 17 C -2.7480 0.7504 -0.1669 C.ar 1 UNL111 -0.2310 18 C -2.1353 -1.5835 -0.5116 C.ar 1 UNL111 -0.2197 19 C -3.4334 -1.9545 -0.1941 C.ar 1 UNL111 -0.0431 20 C -4.3860 -0.9859 0.1410 C.ar 1 UNL111 -0.1039 21 N -5.7225 -1.4512 0.4901 N.pl3 1 UNL111 0.6251 22 O -6.0097 -2.6042 0.2109 O.2 1 UNL111 -0.3947 23 O -6.4761 -0.6763 1.0489 O.2 1 UNL111 -0.3675 24 C -4.0443 0.3733 0.1439 C.ar 1 UNL111 -0.0186 25 C -5.0666 1.4410 0.4768 C.3 1 UNL111 0.5380 26 F -4.6405 2.6898 0.2736 F 1 UNL111 -0.2056 27 F -6.1736 1.3655 -0.2567 F 1 UNL111 -0.1723 28 F -5.4488 1.4348 1.7496 F 1 UNL111 -0.1655 29 H 6.2702 1.5562 -1.4198 H 1 UNL111 0.1742 30 H 8.5257 1.3553 -0.3436 H 1 UNL111 0.1773 31 H 6.8836 -1.4432 2.5254 H 1 UNL111 0.1757 32 H 4.6548 -1.2431 1.4572 H 1 UNL111 0.1707 33 H 2.7932 -0.0493 0.7458 H 1 UNL111 0.1510 34 H 3.2029 -1.4164 -0.3787 H 1 UNL111 0.1644 35 H 2.5546 2.0359 -1.0822 H 1 UNL111 0.3618 36 H 3.3124 0.2635 -2.9752 H 1 UNL111 0.1785 37 H 2.2933 -1.1815 -2.9674 H 1 UNL111 0.1768 38 H 1.6038 0.3938 -3.4145 H 1 UNL111 0.1707 39 H -0.3632 1.2505 -0.8858 H 1 UNL111 0.3455 40 H -2.4470 1.8004 -0.1602 H 1 UNL111 0.1859 41 H -1.4035 -2.3558 -0.7727 H 1 UNL111 0.2096 42 H -3.7169 -3.0162 -0.2067 H 1 UNL111 0.1939 @BOND 1 38 12 1 2 36 12 1 3 37 12 1 4 12 10 1 5 29 1 1 6 10 11 1 7 10 13 1 8 10 9 1 9 35 11 1 10 13 15 am 11 13 14 2 12 39 15 1 13 15 16 1 14 41 18 1 15 8 9 1 16 8 7 1 17 1 7 ar 18 1 2 ar 19 18 16 ar 20 18 19 ar 21 16 17 ar 22 34 9 1 23 30 2 1 24 9 33 1 25 27 25 1 26 42 19 1 27 19 20 ar 28 17 40 1 29 17 24 ar 30 7 6 ar 31 2 3 ar 32 20 24 ar 33 20 21 1 34 24 25 1 35 22 21 2 36 26 25 1 37 25 28 1 38 21 23 2 39 6 32 1 40 6 5 ar 41 3 5 ar 42 3 4 1 43 5 31 1