@MOLECULE 2-(2-(dimethylamino)ethyl)-5-nitro-1h-benz[de]isoquinoline-1,3(2h)-dione 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.9027 2.0516 0.3244 O.2 1 UNL1 -0.4572 2 O 2.2835 -2.2582 0.2264 O.2 1 UNL1 -0.4702 3 O -5.3673 1.5063 -0.1623 O.2 1 UNL1 -0.4029 4 O -3.9097 3.0829 0.0031 O.2 1 UNL1 -0.3773 5 N 1.5885 -0.1067 0.3613 N.ar 1 UNL1 -0.5347 6 N 5.0840 1.0394 -0.6750 N.3 1 UNL1 -0.3817 7 N -4.2188 1.9065 -0.0670 N.pl3 1 UNL1 0.6282 8 C -1.0963 -0.9624 0.0271 C.ar 1 UNL1 0.0953 9 C -0.8073 0.4250 0.1144 C.ar 1 UNL1 -0.1850 10 C 2.9803 0.3321 0.5755 C.3 1 UNL1 -0.1057 11 C -0.0538 -1.9222 0.0619 C.ar 1 UNL1 -0.1932 12 C 0.5939 0.8834 0.2644 C.ar 1 UNL1 0.5916 13 C -2.4366 -1.3970 -0.0922 C.ar 1 UNL1 -0.0816 14 C 1.3518 -1.4851 0.2110 C.ar 1 UNL1 0.5906 15 C 3.6938 0.5693 -0.7804 C.3 1 UNL1 -0.1363 16 C -1.8160 1.3571 0.0758 C.ar 1 UNL1 0.0038 17 C -0.3372 -3.2664 -0.0263 C.ar 1 UNL1 -0.0058 18 C -3.4720 -0.4298 -0.1211 C.ar 1 UNL1 -0.0186 19 C -3.1559 0.9106 -0.0420 C.ar 1 UNL1 -0.1206 20 C -2.7055 -2.7932 -0.1729 C.ar 1 UNL1 -0.0688 21 C -1.6792 -3.7043 -0.1431 C.ar 1 UNL1 -0.1907 22 C 5.9590 0.0552 -0.0072 C.3 1 UNL1 -0.2811 23 C 5.1820 2.3568 -0.0137 C.3 1 UNL1 -0.2811 24 H 2.9807 1.2691 1.1791 H 1 UNL1 0.1641 25 H 3.5200 -0.4446 1.1652 H 1 UNL1 0.1622 26 H 3.6942 -0.3747 -1.3718 H 1 UNL1 0.1547 27 H 3.1232 1.3155 -1.3791 H 1 UNL1 0.1552 28 H -1.5951 2.4359 0.1372 H 1 UNL1 0.2149 29 H 0.4765 -4.0020 -0.0037 H 1 UNL1 0.1839 30 H -4.5158 -0.7559 -0.2072 H 1 UNL1 0.1880 31 H -3.7432 -3.1226 -0.2585 H 1 UNL1 0.1612 32 H -1.8767 -4.7753 -0.2038 H 1 UNL1 0.1682 33 H 5.8358 -0.9327 -0.4828 H 1 UNL1 0.1492 34 H 5.7869 -0.0605 1.0730 H 1 UNL1 0.1175 35 H 7.0077 0.3626 -0.1605 H 1 UNL1 0.1478 36 H 4.9980 2.3436 1.0701 H 1 UNL1 0.1179 37 H 4.4682 3.0586 -0.4763 H 1 UNL1 0.1503 38 H 6.1945 2.7567 -0.1893 H 1 UNL1 0.1478 @BOND 1 27 15 1 2 26 15 1 3 15 6 1 4 15 10 1 5 6 23 1 6 6 22 1 7 33 22 1 8 37 23 1 9 31 20 1 10 30 18 1 11 32 21 1 12 38 23 1 13 20 21 ar 14 20 13 ar 15 3 7 2 16 35 22 1 17 21 17 ar 18 18 13 ar 19 18 19 ar 20 13 8 ar 21 7 19 1 22 7 4 2 23 19 16 ar 24 17 29 1 25 17 11 ar 26 23 36 1 27 22 34 1 28 8 11 ar 29 8 9 ar 30 11 14 ar 31 16 9 ar 32 16 28 1 33 9 12 ar 34 14 2 2 35 14 5 ar 36 12 1 2 37 12 5 ar 38 5 10 1 39 10 25 1 40 10 24 1