@MOLECULE ethyl (5e)-6-[1-(4-fluorobenzyl)-1h-pyrrol-2-yl]-2,4-dioxo-5-hexenoate 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.3539 3.5115 1.1458 F 1 UNL1111111111 -0.1686 2 O 1.2919 0.8400 -0.9412 O.2 1 UNL1111111111 -0.4350 3 O 6.1358 0.0814 0.2549 O.3 1 UNL1111111111 -0.4160 4 O 3.9448 -0.2250 -1.7725 O.2 1 UNL1111111111 -0.3378 5 O 5.2074 2.1239 0.0328 O.2 1 UNL1111111111 -0.4568 6 N -2.9770 -2.0208 -0.4815 N.ar 1 UNL1111111111 -0.1952 7 C -3.5037 -1.0697 -1.4525 C.3 1 UNL1111111111 -0.0998 8 C -1.7072 -1.9822 0.1076 C.ar 1 UNL1111111111 -0.0272 9 C -4.0040 0.1729 -0.7602 C.ar 1 UNL1111111111 -0.0833 10 C -3.7167 -3.0311 0.0972 C.ar 1 UNL1111111111 -0.0739 11 C -1.6635 -3.0184 1.0582 C.ar 1 UNL1111111111 -0.1682 12 C -2.9160 -3.6711 1.0504 C.ar 1 UNL1111111111 -0.2359 13 C -0.6836 -1.0478 -0.2685 C.2 1 UNL1111111111 -0.0068 14 C -5.1575 0.1052 0.0251 C.ar 1 UNL1111111111 -0.1015 15 C -3.3071 1.3743 -0.8934 C.ar 1 UNL1111111111 -0.1023 16 C 0.5351 -1.0130 0.3024 C.2 1 UNL1111111111 -0.3411 17 C -5.6271 1.2380 0.6824 C.ar 1 UNL1111111111 -0.2185 18 C -3.7577 2.5216 -0.2455 C.ar 1 UNL1111111111 -0.2104 19 C -4.9127 2.4262 0.5292 C.ar 1 UNL1111111111 0.2105 20 C 1.5385 -0.0502 -0.1661 C.2 1 UNL1111111111 0.5083 21 C 2.9393 -0.2075 0.4045 C.3 1 UNL1111111111 -0.4841 22 C 3.9740 0.1180 -0.6271 C.2 1 UNL1111111111 0.4253 23 C 5.1528 0.9326 -0.0939 C.2 1 UNL1111111111 0.4878 24 C 7.3493 0.6748 0.7542 C.3 1 UNL1111111111 0.0079 25 C 8.2546 -0.5155 1.0158 C.3 1 UNL1111111111 -0.4642 26 H -4.3304 -1.5506 -2.0330 H 1 UNL1111111111 0.1650 27 H -2.7142 -0.8292 -2.2069 H 1 UNL1111111111 0.1675 28 H -4.7264 -3.2476 -0.1918 H 1 UNL1111111111 0.1641 29 H -0.8269 -3.2707 1.6741 H 1 UNL1111111111 0.1608 30 H -3.1989 -4.5021 1.6595 H 1 UNL1111111111 0.1642 31 H -0.9288 -0.3387 -1.0731 H 1 UNL1111111111 0.1666 32 H -5.6890 -0.8403 0.1343 H 1 UNL1111111111 0.1572 33 H -2.4029 1.4265 -1.5028 H 1 UNL1111111111 0.1659 34 H 0.8205 -1.6850 1.1055 H 1 UNL1111111111 0.1700 35 H -6.5233 1.1935 1.2986 H 1 UNL1111111111 0.1763 36 H -3.2165 3.4623 -0.3429 H 1 UNL1111111111 0.1813 37 H 3.0232 0.4460 1.3029 H 1 UNL1111111111 0.1974 38 H 3.1144 -1.2433 0.7737 H 1 UNL1111111111 0.1990 39 H 7.1069 1.2463 1.6667 H 1 UNL1111111111 0.1329 40 H 7.7452 1.3586 -0.0179 H 1 UNL1111111111 0.1390 41 H 9.2340 -0.1931 1.3881 H 1 UNL1111111111 0.1565 42 H 7.8194 -1.1985 1.7567 H 1 UNL1111111111 0.1580 43 H 8.4183 -1.1016 0.1003 H 1 UNL1111111111 0.1649 @BOND 1 1 19 1 2 2 20 2 3 3 23 1 4 3 24 1 5 4 22 2 6 5 23 2 7 6 7 1 8 6 8 ar 9 6 10 ar 10 7 9 1 11 7 26 1 12 7 27 1 13 8 11 ar 14 8 13 1 15 9 14 ar 16 9 15 ar 17 10 12 ar 18 10 28 1 19 11 12 ar 20 11 29 1 21 12 30 1 22 13 16 2 23 13 31 1 24 14 17 ar 25 14 32 1 26 15 18 ar 27 15 33 1 28 16 20 1 29 16 34 1 30 17 19 ar 31 17 35 1 32 18 19 ar 33 18 36 1 34 20 21 1 35 21 22 1 36 21 37 1 37 21 38 1 38 22 23 1 39 24 25 1 40 24 39 1 41 24 40 1 42 25 41 1 43 25 42 1 44 25 43 1