@MOLECULE 1-cyano-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-methylguanidine 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.5539 -2.4810 -0.6073 S.3 1 UNL1111 0.0010 2 O -2.1420 0.9230 -0.5987 O.2 1 UNL1111 -0.2008 3 N 0.6536 2.3119 0.0845 N.3 1 UNL1111 -0.3976 4 N 1.0899 -0.7512 -0.1477 N.pl3 1 UNL1111 -0.5590 5 N 3.4304 -0.3663 -0.1565 N.pl3 1 UNL1111 -0.5398 6 N 2.4439 -1.9848 1.3459 N.pl3 1 UNL1111 -0.5326 7 N 3.2516 0.7269 -2.4150 N.1 1 UNL1111 -0.2880 8 C -0.7179 2.8134 -0.2061 C.3 1 UNL1111 -0.1298 9 C -1.7239 1.8661 0.3238 C.ar 1 UNL1111 0.1034 10 C -3.0608 0.1137 0.0582 C.ar 1 UNL1111 0.1111 11 C -3.5939 -0.9693 -0.7632 C.3 1 UNL1111 -0.3458 12 C -2.3643 1.6804 1.5200 C.ar 1 UNL1111 -0.2484 13 C -3.2285 0.5415 1.3494 C.ar 1 UNL1111 -0.2375 14 C -0.8750 -1.8679 -0.9913 C.3 1 UNL1111 -0.3294 15 C -0.1101 -1.5001 0.2879 C.3 1 UNL1111 -0.0679 16 C 0.9686 2.4058 1.5263 C.3 1 UNL1111 -0.2923 17 C 1.6420 3.0706 -0.7136 C.3 1 UNL1111 -0.2858 18 C 2.3177 -1.0959 0.4171 C.cat 1 UNL1111 0.5368 19 C 3.7140 -2.5099 1.7993 C.3 1 UNL1111 -0.2427 20 C 3.3258 0.1881 -1.3884 C.1 1 UNL1111 0.2641 21 H -0.9002 3.8349 0.2031 H 1 UNL1111 0.1440 22 H -0.8274 2.8922 -1.3186 H 1 UNL1111 0.1694 23 H -4.6201 -1.2577 -0.4471 H 1 UNL1111 0.1843 24 H -3.6722 -0.6770 -1.8322 H 1 UNL1111 0.1806 25 H -2.2714 2.2519 2.4183 H 1 UNL1111 0.1705 26 H -3.8630 0.1297 2.1049 H 1 UNL1111 0.1726 27 H -0.9164 -1.0032 -1.6832 H 1 UNL1111 0.1765 28 H -0.3413 -2.6671 -1.5427 H 1 UNL1111 0.1751 29 H -0.7213 -0.8702 0.9746 H 1 UNL1111 0.1470 30 H 0.1676 -2.4144 0.8648 H 1 UNL1111 0.1787 31 H 0.2401 1.8073 2.1005 H 1 UNL1111 0.1552 32 H 1.9627 1.9599 1.7035 H 1 UNL1111 0.1519 33 H 0.9716 3.4295 1.9277 H 1 UNL1111 0.1274 34 H 1.5956 4.1605 -0.5830 H 1 UNL1111 0.1239 35 H 2.6603 2.7363 -0.4534 H 1 UNL1111 0.1525 36 H 1.4961 2.8323 -1.7839 H 1 UNL1111 0.1652 37 H 0.9110 0.2625 -0.2711 H 1 UNL1111 0.3510 38 H 4.3657 -0.6611 0.1251 H 1 UNL1111 0.3253 39 H 4.3492 -2.9077 0.9915 H 1 UNL1111 0.1273 40 H 3.4794 -3.3583 2.4768 H 1 UNL1111 0.1664 41 H 4.2890 -1.7758 2.3894 H 1 UNL1111 0.1362 @BOND 1 1 11 1 2 1 14 1 3 2 9 ar 4 2 10 ar 5 3 8 1 6 3 16 1 7 3 17 1 8 4 15 1 9 4 18 1 10 4 37 1 11 5 18 1 12 5 20 1 13 5 38 1 14 6 18 2 15 6 19 1 16 7 20 3 17 8 9 1 18 8 21 1 19 8 22 1 20 9 12 ar 21 10 11 1 22 10 13 ar 23 11 23 1 24 11 24 1 25 12 13 ar 26 12 25 1 27 13 26 1 28 14 15 1 29 14 27 1 30 14 28 1 31 15 29 1 32 15 30 1 33 16 31 1 34 16 32 1 35 16 33 1 36 17 34 1 37 17 35 1 38 17 36 1 39 19 39 1 40 19 40 1 41 19 41 1