@MOLECULE clamoxyquin 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 2.7048 2.4719 -0.4900 N.ar 1 UNL1 -0.3164 2 C 3.5907 3.0741 0.2835 C.ar 1 UNL1 0.0531 3 C 4.4559 2.3678 1.1696 C.ar 1 UNL1 -0.2154 4 C 4.3575 1.0024 1.2435 C.ar 1 UNL1 -0.0882 5 C 3.4012 0.3245 0.4396 C.ar 1 UNL1 -0.0577 6 C 3.1891 -1.0754 0.4544 C.ar 1 UNL1 -0.0484 7 C 2.2515 -1.6921 -0.3255 C.ar 1 UNL1 -0.1089 8 C 1.4536 -0.9262 -1.2088 C.ar 1 UNL1 -0.2227 9 C 1.6373 0.4404 -1.2686 C.ar 1 UNL1 0.2651 10 C 2.6001 1.1081 -0.4300 C.ar 1 UNL1 0.0858 11 O 0.9540 1.2569 -2.0959 O.3 1 UNL1 -0.3906 12 C 0.4161 -1.6377 -2.0344 C.3 1 UNL1 -0.0923 13 N -0.8785 -1.8067 -1.3457 N.3 1 UNL1 -0.5320 14 C -1.7293 -0.5944 -1.4051 C.3 1 UNL1 -0.1184 15 C -2.9063 -0.7514 -0.4292 C.3 1 UNL1 -0.3006 16 C -3.9845 0.3017 -0.7461 C.3 1 UNL1 -0.1101 17 N -4.9550 0.3732 0.3727 N.3 1 UNL1 -0.4418 18 C -5.8105 1.5803 0.2429 C.3 1 UNL1 -0.0883 19 C -6.4715 1.8890 1.5927 C.3 1 UNL1 -0.4461 20 C -5.7568 -0.8687 0.5092 C.3 1 UNL1 -0.0896 21 C -5.4292 -1.4969 1.8731 C.3 1 UNL1 -0.4394 22 CL 4.1356 -2.0376 1.5004 Cl 1 UNL1 -0.0678 23 H 3.6329 4.1693 0.2172 H 1 UNL1 0.1763 24 H 5.1739 2.9217 1.7685 H 1 UNL1 0.1691 25 H 5.0065 0.4303 1.9105 H 1 UNL1 0.1750 26 H 2.1028 -2.7747 -0.2876 H 1 UNL1 0.1790 27 H 0.2742 0.7510 -2.6239 H 1 UNL1 0.3166 28 H 0.2575 -1.1444 -3.0192 H 1 UNL1 0.1381 29 H 0.7708 -2.6681 -2.2931 H 1 UNL1 0.1611 30 H -0.7357 -2.1058 -0.3823 H 1 UNL1 0.2646 31 H -1.1758 0.3408 -1.1660 H 1 UNL1 0.1232 32 H -2.1083 -0.5106 -2.4476 H 1 UNL1 0.1356 33 H -2.5685 -0.6308 0.6191 H 1 UNL1 0.1612 34 H -3.3272 -1.7725 -0.4972 H 1 UNL1 0.1548 35 H -3.4997 1.3004 -0.8410 H 1 UNL1 0.1392 36 H -4.4639 0.0775 -1.7219 H 1 UNL1 0.1102 37 H -5.1648 2.4406 -0.0443 H 1 UNL1 0.1338 38 H -6.5811 1.4780 -0.5501 H 1 UNL1 0.1066 39 H -7.1833 1.1110 1.8864 H 1 UNL1 0.1448 40 H -5.7134 1.9469 2.3859 H 1 UNL1 0.1612 41 H -7.0046 2.8435 1.5598 H 1 UNL1 0.1391 42 H -6.8464 -0.6643 0.4460 H 1 UNL1 0.1211 43 H -5.5393 -1.5952 -0.3018 H 1 UNL1 0.1216 44 H -6.0389 -2.3842 2.0589 H 1 UNL1 0.1343 45 H -5.6049 -0.7776 2.6828 H 1 UNL1 0.1539 46 H -4.3724 -1.7812 1.9313 H 1 UNL1 0.1499 @BOND 1 28 12 1 2 27 11 1 3 32 14 1 4 29 12 1 5 11 9 1 6 12 13 1 7 12 8 1 8 36 16 1 9 14 13 1 10 14 31 1 11 14 15 1 12 13 30 1 13 9 8 ar 14 9 10 ar 15 8 7 ar 16 35 16 1 17 16 15 1 18 16 17 1 19 38 18 1 20 34 15 1 21 1 10 ar 22 1 2 ar 23 10 5 ar 24 15 33 1 25 7 26 1 26 7 6 ar 27 43 20 1 28 37 18 1 29 23 2 1 30 18 17 1 31 18 19 1 32 2 3 ar 33 17 20 1 34 5 6 ar 35 5 4 ar 36 42 20 1 37 6 22 1 38 20 21 1 39 3 4 ar 40 3 24 1 41 4 25 1 42 41 19 1 43 19 39 1 44 19 40 1 45 21 46 1 46 21 44 1 47 21 45 1