@MOLECULE 3-[a-(p-chlorophenoxy)isobutyryloxy]propyl nicotinate 46 47 0 0 0 SMALL GASTEIGER @ATOM 1 CL -1.1385 -4.2309 0.2959 Cl 1 UNL1111111111 -0.0890 2 O 2.8415 -0.2610 -1.1776 O.3 1 UNL1111111111 -0.3643 3 O 2.1156 1.9537 0.4020 O.3 1 UNL1111111111 -0.4086 4 O 2.7293 0.6292 2.0999 O.2 1 UNL1111111111 -0.4954 5 O -1.2332 2.4723 -0.0900 O.3 1 UNL1111111111 -0.4387 6 O -2.0811 2.1975 -2.1501 O.2 1 UNL1111111111 -0.4897 7 N -3.9749 0.1482 1.7467 N.ar 1 UNL1111111111 -0.3834 8 C 3.6722 0.2306 -0.1281 C.3 1 UNL1111111111 0.2491 9 C 4.5477 1.2577 -0.8336 C.3 1 UNL1111111111 -0.4668 10 C 4.4728 -0.8854 0.5260 C.3 1 UNL1111111111 -0.4935 11 C 2.8038 0.9206 0.9349 C.2 1 UNL1111111111 0.5297 12 C 1.2205 2.6140 1.3143 C.3 1 UNL1111111111 -0.0132 13 C 0.6230 3.7634 0.5086 C.3 1 UNL1111111111 -0.3153 14 C 1.9155 -1.2032 -0.7866 C.ar 1 UNL1111111111 0.1949 15 C -0.1723 3.2415 -0.6827 C.3 1 UNL1111111111 0.0012 16 C 0.6377 -0.7732 -0.4299 C.ar 1 UNL1111111111 -0.1897 17 C 2.2629 -2.5532 -0.8507 C.ar 1 UNL1111111111 -0.1880 18 C -0.3192 -1.7271 -0.0983 C.ar 1 UNL1111111111 -0.1397 19 C 1.3087 -3.5078 -0.5037 C.ar 1 UNL1111111111 -0.1432 20 C 0.0413 -3.0689 -0.1354 C.ar 1 UNL1111111111 0.0097 21 C -2.1315 1.9581 -0.9701 C.2 1 UNL1111111111 0.6094 22 C -3.1076 1.1080 -0.2794 C.ar 1 UNL1111111111 -0.2460 23 C -4.0876 0.4548 -1.0304 C.ar 1 UNL1111111111 -0.0100 24 C -3.0818 0.9278 1.1125 C.ar 1 UNL1111111111 0.1185 25 C -5.0117 -0.3506 -0.3728 C.ar 1 UNL1111111111 -0.2659 26 C -4.9218 -0.4777 1.0206 C.ar 1 UNL1111111111 0.0972 27 H 5.2062 1.7800 -0.1289 H 1 UNL1111111111 0.1604 28 H 3.9340 2.0138 -1.3499 H 1 UNL1111111111 0.1772 29 H 5.1743 0.7804 -1.5982 H 1 UNL1111111111 0.1693 30 H 4.9951 -1.4877 -0.2278 H 1 UNL1111111111 0.1658 31 H 5.2220 -0.4917 1.2200 H 1 UNL1111111111 0.1685 32 H 3.8338 -1.5615 1.1166 H 1 UNL1111111111 0.1768 33 H 1.7953 2.9616 2.1906 H 1 UNL1111111111 0.1355 34 H 0.4590 1.8808 1.6434 H 1 UNL1111111111 0.1504 35 H -0.0260 4.3739 1.1703 H 1 UNL1111111111 0.1629 36 H 1.4240 4.4388 0.1457 H 1 UNL1111111111 0.1593 37 H 0.4203 2.5700 -1.3328 H 1 UNL1111111111 0.1537 38 H -0.6130 4.0513 -1.2913 H 1 UNL1111111111 0.1375 39 H 0.4018 0.2935 -0.4154 H 1 UNL1111111111 0.1840 40 H 3.2611 -2.8474 -1.1664 H 1 UNL1111111111 0.1710 41 H -1.3265 -1.4221 0.1853 H 1 UNL1111111111 0.1726 42 H 1.5600 -4.5676 -0.5218 H 1 UNL1111111111 0.1712 43 H -4.1153 0.5771 -2.1175 H 1 UNL1111111111 0.1798 44 H -2.3270 1.4132 1.7494 H 1 UNL1111111111 0.1898 45 H -5.7885 -0.8728 -0.9235 H 1 UNL1111111111 0.1727 46 H -5.6199 -1.1021 1.5887 H 1 UNL1111111111 0.1720 @BOND 1 1 20 1 2 2 8 1 3 2 14 1 4 3 11 1 5 3 12 1 6 4 11 2 7 5 15 1 8 5 21 1 9 6 21 2 10 7 24 ar 11 7 26 ar 12 8 9 1 13 8 10 1 14 8 11 1 15 9 27 1 16 9 28 1 17 9 29 1 18 10 30 1 19 10 31 1 20 10 32 1 21 12 13 1 22 12 33 1 23 12 34 1 24 13 15 1 25 13 35 1 26 13 36 1 27 14 16 ar 28 14 17 ar 29 15 37 1 30 15 38 1 31 16 18 ar 32 16 39 1 33 17 19 ar 34 17 40 1 35 18 20 ar 36 18 41 1 37 19 20 ar 38 19 42 1 39 21 22 1 40 22 23 ar 41 22 24 ar 42 23 25 ar 43 23 43 1 44 24 44 1 45 25 26 ar 46 25 45 1 47 26 46 1