@MOLECULE (e)-n-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-2-nitro-n'-(2-propyn-1-yl)-1,1-ethenediamine 45 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.2361 1.1307 -1.2488 C.ar 1 UNL1 -0.2584 2 C 3.0748 -0.0353 -1.3490 C.ar 1 UNL1 -0.2284 3 C 4.7347 -1.0663 0.4314 C.3 1 UNL1 -0.1341 4 C 1.8965 2.7772 0.7568 C.3 1 UNL1 -0.3424 5 C -0.7500 1.6868 0.4416 C.3 1 UNL1 -0.3803 6 C -0.6736 0.1636 0.2764 C.3 1 UNL1 -0.0841 7 C -2.7956 -2.2418 1.0134 C.3 1 UNL1 -0.0357 8 C 6.5488 -0.4498 -1.0850 C.3 1 UNL1 -0.2873 9 C 6.4479 -2.6898 -0.1508 C.3 1 UNL1 -0.2823 10 H -1.4069 0.0396 -1.6788 H 1 UNL1 0.2985 11 H -4.5067 -0.9771 0.7425 H 1 UNL1 0.3656 12 C 3.7423 -0.1385 -0.1592 C.ar 1 UNL1 0.1127 13 C 2.4392 1.6505 0.0037 C.ar 1 UNL1 0.1022 14 O -5.7892 1.6480 -1.6062 O.2 1 UNL1 -0.4117 15 C -2.9999 -0.2010 -0.4052 C.2 1 UNL1 0.4876 16 C -3.7868 0.7419 -1.0592 C.2 1 UNL1 -0.5509 17 O -5.7577 0.1095 -0.1062 O.2 1 UNL1 -0.5398 18 N 5.6566 -1.5384 -0.6345 N.3 1 UNL1 -0.3698 19 N -1.6212 -0.3302 -0.7485 N.pl3 1 UNL1 -0.5574 20 N -3.4865 -1.0227 0.5579 N.pl3 1 UNL1 -0.4666 21 C -3.6610 -3.3825 0.8480 C.1 1 UNL1 -0.1379 22 N -5.1783 0.8400 -0.9244 N.pl3 1 UNL1 0.7147 23 S 0.4124 2.2777 1.7215 S.3 1 UNL1 0.0228 24 O 3.3723 0.8913 0.6941 O.2 1 UNL1 -0.2114 25 C -4.3948 -4.3323 0.6954 C.1 1 UNL1 -0.1392 26 H 1.6033 1.4985 -2.0269 H 1 UNL1 0.1692 27 H 3.1591 -0.6794 -2.2011 H 1 UNL1 0.1846 28 H 5.2611 -0.5847 1.2899 H 1 UNL1 0.1422 29 H 4.1980 -1.9550 0.8505 H 1 UNL1 0.1627 30 H 2.6283 3.1674 1.5030 H 1 UNL1 0.1938 31 H 1.6559 3.6347 0.0940 H 1 UNL1 0.1819 32 H -3.3416 1.4625 -1.7413 H 1 UNL1 0.2064 33 H -0.5693 2.2013 -0.5185 H 1 UNL1 0.1633 34 H -1.7672 1.9954 0.7662 H 1 UNL1 0.1859 35 H 0.3468 -0.1614 -0.0493 H 1 UNL1 0.1722 36 H -0.8725 -0.3530 1.2419 H 1 UNL1 0.1569 37 H -1.8343 -2.3981 0.4481 H 1 UNL1 0.1899 38 H -2.5142 -2.1004 2.0925 H 1 UNL1 0.1668 39 H 7.2415 -0.0768 -0.3175 H 1 UNL1 0.1223 40 H 7.1368 -0.8096 -1.9462 H 1 UNL1 0.1506 41 H 5.9375 0.3968 -1.4426 H 1 UNL1 0.1545 42 H 5.7649 -3.5155 0.1094 H 1 UNL1 0.1457 43 H 7.0862 -3.0498 -0.9759 H 1 UNL1 0.1513 44 H 7.0898 -2.4757 0.7158 H 1 UNL1 0.1217 45 H -5.0204 -5.1407 0.5665 H 1 UNL1 0.1914 @BOND 1 27 2 1 2 26 1 1 3 40 8 1 4 32 16 1 5 10 19 1 6 14 22 2 7 41 8 1 8 2 1 ar 9 2 12 ar 10 1 13 ar 11 8 18 1 12 8 39 1 13 16 22 1 14 16 15 2 15 43 9 1 16 22 17 2 17 19 15 1 18 19 6 1 19 18 9 1 20 18 3 1 21 33 5 1 22 15 20 1 23 12 3 1 24 12 24 ar 25 9 42 1 26 9 44 1 27 35 6 1 28 13 24 ar 29 13 4 1 30 31 4 1 31 6 5 1 32 6 36 1 33 3 29 1 34 3 28 1 35 5 34 1 36 5 23 1 37 37 7 1 38 20 11 1 39 20 7 1 40 45 25 1 41 25 21 3 42 4 30 1 43 4 23 1 44 21 7 1 45 7 38 1