@MOLECULE n-(4-(7-(diethylamino)-4-methylcoumarin-3-yl))maleimide 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.0325 1.6025 0.0451 O.2 1 UNL1 -0.3620 2 O 1.9699 2.4502 0.1210 O.2 1 UNL1 -0.4020 3 O 3.5813 -1.2703 1.9413 O.2 1 UNL1 -0.4160 4 O 3.7197 1.1180 -1.9717 O.2 1 UNL1 -0.3772 5 N -4.5162 0.0910 0.0014 N.pl3 1 UNL1 -0.4316 6 N 3.2601 -0.0726 -0.0252 N.am 1 UNL1 -0.5248 7 C -0.3931 -0.7815 -0.0309 C.ar 1 UNL1 -0.3202 8 C -3.1732 -0.1697 -0.0019 C.ar 1 UNL1 0.3601 9 C 1.0188 -1.0250 -0.0521 C.ar 1 UNL1 0.2176 10 C -0.8676 0.5439 0.0114 C.ar 1 UNL1 0.3876 11 C 1.8584 0.0511 -0.0073 C.ar 1 UNL1 -0.1150 12 C -2.2205 0.8696 0.0300 C.ar 1 UNL1 -0.4352 13 C -5.5141 -0.9853 -0.0308 C.3 1 UNL1 -0.0470 14 C -5.0393 1.4614 0.0768 C.3 1 UNL1 -0.0458 15 C -1.3613 -1.8040 -0.0535 C.ar 1 UNL1 0.0347 16 C -2.7052 -1.5223 -0.0425 C.ar 1 UNL1 -0.3716 17 C 1.3579 1.4223 0.0569 C.ar 1 UNL1 0.5922 18 C 1.5073 -2.4291 -0.1036 C.3 1 UNL1 -0.4613 19 C -5.7300 -1.4993 -1.4595 C.3 1 UNL1 -0.4709 20 C -5.0044 1.9838 1.5177 C.3 1 UNL1 -0.4704 21 C 4.0305 -0.7059 0.9864 C.2 1 UNL1 0.5708 22 C 4.1032 0.5155 -1.0151 C.2 1 UNL1 0.5679 23 C 5.4684 -0.5191 0.5600 C.2 1 UNL1 -0.2011 24 C 5.5111 0.1748 -0.5845 C.2 1 UNL1 -0.1861 25 H -2.5067 1.9154 0.0672 H 1 UNL1 0.1915 26 H -5.1973 -1.8190 0.6406 H 1 UNL1 0.1439 27 H -6.4745 -0.6112 0.3920 H 1 UNL1 0.1407 28 H -4.4454 2.1250 -0.5965 H 1 UNL1 0.1517 29 H -6.0794 1.4830 -0.3180 H 1 UNL1 0.1384 30 H -1.0336 -2.8463 -0.0807 H 1 UNL1 0.1492 31 H -3.4163 -2.3378 -0.0648 H 1 UNL1 0.1617 32 H 1.3001 -2.9411 0.8534 H 1 UNL1 0.1812 33 H 2.5916 -2.5066 -0.2651 H 1 UNL1 0.1656 34 H 1.0268 -3.0038 -0.9100 H 1 UNL1 0.1671 35 H -6.0773 -0.7021 -2.1257 H 1 UNL1 0.1558 36 H -4.8011 -1.8931 -1.8931 H 1 UNL1 0.1633 37 H -6.4729 -2.3037 -1.4833 H 1 UNL1 0.1507 38 H -5.6089 1.3622 2.1876 H 1 UNL1 0.1508 39 H -3.9829 1.9841 1.9194 H 1 UNL1 0.1689 40 H -5.3840 3.0101 1.5743 H 1 UNL1 0.1544 41 H 6.2647 -0.9201 1.1610 H 1 UNL1 0.1855 42 H 6.3455 0.4916 -1.1819 H 1 UNL1 0.1870 @BOND 1 35 19 1 2 4 22 2 3 36 19 1 4 37 19 1 5 19 13 1 6 42 24 1 7 22 24 1 8 22 6 am 9 34 18 1 10 28 14 1 11 24 23 2 12 29 14 1 13 33 18 1 14 18 9 1 15 18 32 1 16 30 15 1 17 31 16 1 18 15 16 ar 19 15 7 ar 20 9 7 ar 21 9 11 ar 22 16 8 ar 23 7 10 ar 24 13 5 1 25 13 27 1 26 13 26 1 27 6 11 1 28 6 21 am 29 11 17 ar 30 8 5 1 31 8 12 ar 32 5 14 1 33 10 12 ar 34 10 1 ar 35 12 25 1 36 1 17 ar 37 17 2 2 38 14 20 1 39 23 21 1 40 23 41 1 41 21 3 2 42 20 40 1 43 20 39 1 44 20 38 1