@MOLECULE (e)-n-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)sulfanyl]ethyl}-n'-methyl-2-nitro-1,1-ethenediamine 43 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.5084 1.6231 -0.6096 C.ar 1 UNL1 -0.2671 2 C -3.2277 1.3903 -1.2221 C.ar 1 UNL1 -0.2176 3 C -5.8653 0.1131 1.0791 C.3 1 UNL1 -0.1349 4 C -1.6212 -0.6698 -0.9991 C.3 1 UNL1 -0.3253 5 C 1.2189 -0.5802 -0.5191 C.3 1 UNL1 -0.3763 6 C 2.1539 0.6120 -0.2814 C.3 1 UNL1 -0.0656 7 C -7.6700 -1.4967 1.3269 C.3 1 UNL1 -0.2827 8 C -7.5828 -0.0847 -0.6492 C.3 1 UNL1 -0.2883 9 C 4.2496 2.4364 0.9716 C.3 1 UNL1 -0.2364 10 H 3.4293 -0.2342 -1.7248 H 1 UNL1 0.3079 11 H 5.8109 1.0213 1.3307 H 1 UNL1 0.3664 12 C -4.7698 0.5259 0.1701 C.ar 1 UNL1 0.1241 13 C -2.7981 0.1676 -0.7732 C.ar 1 UNL1 0.0825 14 O 7.2141 -0.0646 0.8613 O.2 1 UNL1 -0.5552 15 C 4.6188 0.2315 -0.1236 C.2 1 UNL1 0.5027 16 C 5.4900 -0.8220 -0.4204 C.2 1 UNL1 -0.5650 17 O 7.5124 -1.8330 -0.3214 O.2 1 UNL1 -0.4158 18 N -6.7852 -0.8092 0.3617 N.3 1 UNL1 -0.3663 19 N 3.4693 0.3850 -0.9147 N.pl3 1 UNL1 -0.5570 20 N 4.8876 1.1260 0.8665 N.pl3 1 UNL1 -0.4763 21 N 6.7991 -0.9168 0.0574 N.pl3 1 UNL1 0.7228 22 S -0.3893 -0.2333 0.3026 S.3 1 UNL1 0.0157 23 O -3.7364 -0.3864 0.0861 O.2 1 UNL1 -0.1636 24 H -5.1115 2.4929 -0.7527 H 1 UNL1 0.1706 25 H -5.4316 -0.4379 1.9523 H 1 UNL1 0.1654 26 H -6.3777 1.0127 1.4931 H 1 UNL1 0.1389 27 H -2.7323 2.0621 -1.8893 H 1 UNL1 0.1684 28 H -1.8687 -1.7520 -0.9147 H 1 UNL1 0.1879 29 H -1.2086 -0.5185 -2.0160 H 1 UNL1 0.1732 30 H -8.3038 -0.8284 1.9270 H 1 UNL1 0.1194 31 H -8.3229 -2.1943 0.7749 H 1 UNL1 0.1504 32 H -7.0532 -2.1081 2.0072 H 1 UNL1 0.1482 33 H -6.8996 0.4032 -1.3660 H 1 UNL1 0.1542 34 H -8.1769 -0.8173 -1.2211 H 1 UNL1 0.1499 35 H -8.2625 0.6761 -0.2398 H 1 UNL1 0.1198 36 H 1.0804 -0.7697 -1.5966 H 1 UNL1 0.1584 37 H 1.6409 -1.5085 -0.0874 H 1 UNL1 0.1747 38 H 1.7357 1.5453 -0.7336 H 1 UNL1 0.1591 39 H 2.2694 0.7995 0.8116 H 1 UNL1 0.1601 40 H 5.1797 -1.6329 -1.0735 H 1 UNL1 0.2055 41 H 3.3411 2.3818 1.5980 H 1 UNL1 0.1496 42 H 4.9439 3.1511 1.4513 H 1 UNL1 0.1581 43 H 3.9737 2.8495 -0.0159 H 1 UNL1 0.1595 @BOND 1 29 4 1 2 27 2 1 3 10 19 1 4 36 5 1 5 33 8 1 6 2 13 ar 7 2 1 ar 8 34 8 1 9 40 16 1 10 4 28 1 11 4 13 1 12 4 22 1 13 19 6 1 14 19 15 1 15 13 23 ar 16 24 1 1 17 38 6 1 18 8 35 1 19 8 18 1 20 1 12 ar 21 5 6 1 22 5 37 1 23 5 22 1 24 16 15 2 25 16 21 1 26 17 21 2 27 6 39 1 28 15 20 1 29 43 9 1 30 21 14 2 31 23 12 ar 32 12 3 1 33 18 3 1 34 18 7 1 35 31 7 1 36 20 9 1 37 20 11 1 38 9 42 1 39 9 41 1 40 3 26 1 41 3 25 1 42 7 30 1 43 7 32 1