@MOLECULE efletirizine 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 F -5.4861 -4.0950 -0.7328 F 1 UNL1111111111 -0.1758 2 F -4.4721 4.7245 -0.7862 F 1 UNL1111111111 -0.1757 3 O 5.7900 -0.1817 -0.1260 O.3 1 UNL1111111111 -0.3668 4 O 9.2209 0.3256 0.4301 O.3 1 UNL1111111111 -0.5878 5 O 8.1613 -0.3794 -1.4012 O.2 1 UNL1111111111 -0.4523 6 N -0.6591 -0.1710 0.2518 N.3 1 UNL1111111111 -0.4342 7 N 2.2023 -0.4711 0.2469 N.3 1 UNL1111111111 -0.4316 8 C 0.2325 0.9572 0.6261 C.3 1 UNL1111111111 -0.1228 9 C -0.0207 -1.4424 0.6797 C.3 1 UNL1111111111 -0.1232 10 C 1.5587 0.8041 -0.1544 C.3 1 UNL1111111111 -0.1179 11 C 1.3097 -1.6063 -0.0925 C.3 1 UNL1111111111 -0.1142 12 C -2.0091 -0.0173 0.8696 C.3 1 UNL1111111111 0.0251 13 C 3.5307 -0.6244 -0.3871 C.3 1 UNL1111111111 -0.1402 14 C -2.9269 -1.1396 0.4265 C.ar 1 UNL1111111111 -0.0525 15 C -2.6535 1.2779 0.4161 C.ar 1 UNL1111111111 -0.0535 16 C 4.5609 0.0100 0.5714 C.3 1 UNL1111111111 -0.0456 17 C -3.8329 -1.6730 1.3453 C.ar 1 UNL1111111111 -0.1277 18 C -3.3647 2.0462 1.3396 C.ar 1 UNL1111111111 -0.1279 19 C -2.8959 -1.6109 -0.8885 C.ar 1 UNL1111111111 -0.0962 20 C -2.5665 1.6827 -0.9188 C.ar 1 UNL1111111111 -0.0951 21 C -4.7139 -2.6811 0.9605 C.ar 1 UNL1111111111 -0.2171 22 C -3.9923 3.2240 0.9400 C.ar 1 UNL1111111111 -0.2177 23 C -3.7629 -2.6199 -1.2958 C.ar 1 UNL1111111111 -0.2198 24 C -3.1810 2.8567 -1.3416 C.ar 1 UNL1111111111 -0.2199 25 C -4.6564 -3.1329 -0.3562 C.ar 1 UNL1111111111 0.1977 26 C -3.8836 3.6032 -0.3962 C.ar 1 UNL1111111111 0.1980 27 C 6.9056 0.2616 0.6234 C.3 1 UNL1111111111 -0.1167 28 C 8.0927 0.0117 -0.2727 C.2 1 UNL1111111111 0.6235 29 H 0.4390 0.9969 1.7167 H 1 UNL1111111111 0.1285 30 H -0.2501 1.9165 0.3419 H 1 UNL1111111111 0.1463 31 H 0.1734 -1.4774 1.7731 H 1 UNL1111111111 0.1290 32 H -0.6941 -2.2907 0.4327 H 1 UNL1111111111 0.1463 33 H 2.2375 1.6432 0.1037 H 1 UNL1111111111 0.1347 34 H 1.3563 0.8587 -1.2462 H 1 UNL1111111111 0.1315 35 H 1.1024 -1.6795 -1.1818 H 1 UNL1111111111 0.1306 36 H 1.8005 -2.5506 0.2255 H 1 UNL1111111111 0.1381 37 H -1.9248 -0.0229 1.9924 H 1 UNL1111111111 0.1308 38 H 3.7827 -1.6984 -0.5269 H 1 UNL1111111111 0.1526 39 H 3.6071 -0.1598 -1.3929 H 1 UNL1111111111 0.1389 40 H 4.3817 1.0860 0.7258 H 1 UNL1111111111 0.1214 41 H 4.5793 -0.5091 1.5439 H 1 UNL1111111111 0.1314 42 H -3.8608 -1.3003 2.3685 H 1 UNL1111111111 0.1547 43 H -3.4375 1.7279 2.3788 H 1 UNL1111111111 0.1546 44 H -2.1790 -1.1845 -1.5955 H 1 UNL1111111111 0.1752 45 H -2.0037 1.0711 -1.6289 H 1 UNL1111111111 0.1748 46 H -5.4251 -3.0985 1.6701 H 1 UNL1111111111 0.1728 47 H -4.5510 3.8256 1.6538 H 1 UNL1111111111 0.1727 48 H -3.7426 -2.9918 -2.3181 H 1 UNL1111111111 0.1740 49 H -3.1153 3.1769 -2.3793 H 1 UNL1111111111 0.1743 50 H 6.9944 -0.3143 1.5677 H 1 UNL1111111111 0.1587 51 H 6.8159 1.3409 0.8610 H 1 UNL1111111111 0.1565 52 H 10.0565 0.1961 -0.0784 H 1 UNL1111111111 0.3595 @BOND 1 1 25 1 2 2 26 1 3 3 16 1 4 3 27 1 5 4 28 1 6 4 52 1 7 5 28 2 8 6 8 1 9 6 9 1 10 6 12 1 11 7 10 1 12 7 11 1 13 7 13 1 14 8 10 1 15 8 29 1 16 8 30 1 17 9 11 1 18 9 31 1 19 9 32 1 20 10 33 1 21 10 34 1 22 11 35 1 23 11 36 1 24 12 14 1 25 12 15 1 26 12 37 1 27 13 16 1 28 13 38 1 29 13 39 1 30 14 17 ar 31 14 19 ar 32 15 18 ar 33 15 20 ar 34 16 40 1 35 16 41 1 36 17 21 ar 37 17 42 1 38 18 22 ar 39 18 43 1 40 19 23 ar 41 19 44 1 42 20 24 ar 43 20 45 1 44 21 25 ar 45 21 46 1 46 22 26 ar 47 22 47 1 48 23 25 ar 49 23 48 1 50 24 26 ar 51 24 49 1 52 27 28 1 53 27 50 1 54 27 51 1