@MOLECULE 5-(5-(2,6-dichloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methylisoxazole 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 CL 1.7289 -2.6586 -0.3516 Cl 1 UNL11111111 -0.0276 2 CL 1.6191 2.6738 -0.5606 Cl 1 UNL11111111 -0.0264 3 O 0.4943 -0.0272 -0.7630 O.3 1 UNL11111111 -0.3362 4 O -7.2346 1.1881 0.5219 O.2 1 UNL11111111 0.0178 5 O 6.6477 -1.0987 0.1421 O.2 1 UNL11111111 -0.3822 6 N 6.7763 1.1418 0.4546 N.2 1 UNL11111111 -0.4470 7 N -8.4639 1.0227 -0.0752 N.ar 1 UNL11111111 -0.2671 8 C -2.8424 -0.0472 0.8335 C.3 1 UNL11111111 -0.2638 9 C -4.2378 -0.0426 0.1993 C.3 1 UNL11111111 -0.2535 10 C -1.7655 -0.0302 -0.2541 C.3 1 UNL11111111 -0.2908 11 C -5.3218 -0.0607 1.2908 C.3 1 UNL11111111 -0.2924 12 C -0.3772 -0.0100 0.3843 C.3 1 UNL11111111 -0.0382 13 C -6.6566 -0.0595 0.6741 C.ar 1 UNL11111111 0.0944 14 C 1.8155 0.0117 -0.4351 C.ar 1 UNL11111111 0.1902 15 C -7.5042 -1.0166 0.1815 C.ar 1 UNL11111111 -0.3472 16 C 4.5728 0.0839 -0.0211 C.ar 1 UNL11111111 -0.0603 17 C 6.0110 0.1297 0.2025 C.2 1 UNL11111111 0.3699 18 C -8.6585 -0.2768 -0.2932 C.ar 1 UNL11111111 0.1425 19 C 2.5432 -1.1708 -0.2816 C.ar 1 UNL11111111 -0.0655 20 C 2.4937 1.2311 -0.3739 C.ar 1 UNL11111111 -0.0647 21 C 3.9163 -1.1505 -0.0815 C.ar 1 UNL11111111 -0.1058 22 C 3.8651 1.2825 -0.1700 C.ar 1 UNL11111111 -0.0981 23 C 8.0477 -0.8690 0.4013 C.3 1 UNL11111111 -0.0752 24 C 8.1589 0.6660 0.6131 C.3 1 UNL11111111 -0.1420 25 C -9.8717 -0.8339 -0.9210 C.3 1 UNL11111111 -0.4339 26 H -2.7206 -0.9400 1.4768 H 1 UNL11111111 0.1400 27 H -2.7257 0.8300 1.4992 H 1 UNL11111111 0.1416 28 H -4.3648 0.8503 -0.4445 H 1 UNL11111111 0.1516 29 H -4.3595 -0.9161 -0.4705 H 1 UNL11111111 0.1483 30 H -1.8864 0.8503 -0.9170 H 1 UNL11111111 0.1613 31 H -1.8603 -0.9131 -0.9182 H 1 UNL11111111 0.1599 32 H -5.1971 -0.9555 1.9400 H 1 UNL11111111 0.1683 33 H -5.1944 0.8152 1.9663 H 1 UNL11111111 0.1686 34 H -0.1931 0.9053 0.9711 H 1 UNL11111111 0.1303 35 H -0.1803 -0.9012 1.0027 H 1 UNL11111111 0.1296 36 H -7.3818 -2.0741 0.1374 H 1 UNL11111111 0.1821 37 H 8.5833 -1.2403 -0.4826 H 1 UNL11111111 0.1453 38 H 8.2917 -1.4642 1.2914 H 1 UNL11111111 0.1435 39 H 8.5343 0.9403 1.6183 H 1 UNL11111111 0.1593 40 H 8.8115 1.1620 -0.1322 H 1 UNL11111111 0.1603 41 H 4.4832 -2.0812 0.0307 H 1 UNL11111111 0.1954 42 H 4.3999 2.2394 -0.1222 H 1 UNL11111111 0.2028 43 H -10.7753 -0.5930 -0.3347 H 1 UNL11111111 0.1753 44 H -10.0322 -0.4152 -1.9297 H 1 UNL11111111 0.1757 45 H -9.8230 -1.9276 -1.0202 H 1 UNL11111111 0.1639 @BOND 1 44 25 1 2 45 25 1 3 25 43 1 4 25 18 1 5 31 10 1 6 30 10 1 7 3 14 1 8 3 12 1 9 2 20 1 10 37 23 1 11 29 9 1 12 28 9 1 13 14 20 ar 14 14 19 ar 15 20 22 ar 16 1 19 1 17 18 7 ar 18 18 15 ar 19 19 21 ar 20 10 12 1 21 10 8 1 22 22 42 1 23 22 16 ar 24 40 24 1 25 21 16 ar 26 21 41 1 27 7 4 ar 28 16 17 1 29 36 15 1 30 5 17 1 31 5 23 1 32 15 13 ar 33 9 8 1 34 9 11 1 35 17 6 2 36 12 34 1 37 12 35 1 38 23 24 1 39 23 38 1 40 6 24 1 41 4 13 ar 42 24 39 1 43 13 11 1 44 8 26 1 45 8 27 1 46 11 32 1 47 11 33 1