@MOLECULE 2-[2-(dimethylamino)ethyl]-1h-dibenzo[de,h]isoquinoline-1,3(2h)-dione 42 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.6551 -2.0125 -0.1701 O.2 1 UNL1 -0.4799 2 O 2.2531 2.1662 -0.5934 O.2 1 UNL1 -0.4950 3 N 1.4128 0.0647 -0.5218 N.ar 1 UNL1 -0.5365 4 N 4.8805 -1.2276 0.2461 N.3 1 UNL1 -0.3849 5 C -1.1643 1.0991 0.0158 C.ar 1 UNL1 0.0787 6 C -1.0053 -0.2911 -0.0975 C.ar 1 UNL1 -0.1972 7 C -0.0543 1.9890 -0.1127 C.ar 1 UNL1 -0.1898 8 C -2.4432 1.6683 0.2611 C.ar 1 UNL1 -0.0666 9 C -2.1342 -1.1296 -0.0470 C.ar 1 UNL1 0.0936 10 C 2.7585 -0.4827 -0.7889 C.3 1 UNL1 -0.0612 11 C 0.3623 -0.8402 -0.2549 C.ar 1 UNL1 0.6053 12 C 1.2855 1.4556 -0.4234 C.ar 1 UNL1 0.5940 13 C -3.4213 -0.5460 0.1680 C.ar 1 UNL1 -0.0484 14 C -3.5571 0.8324 0.3364 C.ar 1 UNL1 -0.0879 15 C 3.5405 -0.6611 0.5350 C.3 1 UNL1 -0.1468 16 C -0.2036 3.3424 0.0308 C.ar 1 UNL1 -0.0097 17 C -2.5706 3.0854 0.4225 C.ar 1 UNL1 -0.0756 18 C -2.0822 -2.5504 -0.2307 C.ar 1 UNL1 -0.1619 19 C -1.4817 3.8993 0.3160 C.ar 1 UNL1 -0.1986 20 C -4.5896 -1.3770 0.1968 C.ar 1 UNL1 -0.1449 21 C -3.2122 -3.3130 -0.2138 C.ar 1 UNL1 -0.1202 22 C -4.4915 -2.7215 0.0089 C.ar 1 UNL1 -0.1486 23 C 5.5876 -1.5128 1.5151 C.3 1 UNL1 -0.2809 24 C 5.6981 -0.3324 -0.6011 C.3 1 UNL1 -0.2858 25 H 2.6712 -1.4669 -1.3087 H 1 UNL1 0.1741 26 H 3.2949 0.2135 -1.4747 H 1 UNL1 0.1599 27 H 3.5769 0.2996 1.0878 H 1 UNL1 0.1268 28 H 2.9952 -1.3981 1.1722 H 1 UNL1 0.1573 29 H -4.5438 1.2620 0.5185 H 1 UNL1 0.1577 30 H 0.6557 4.0151 -0.0748 H 1 UNL1 0.1786 31 H -3.5599 3.4919 0.6320 H 1 UNL1 0.1524 32 H -1.1083 -3.0252 -0.3925 H 1 UNL1 0.2000 33 H -1.5638 4.9772 0.4439 H 1 UNL1 0.1609 34 H -5.5537 -0.9005 0.3674 H 1 UNL1 0.1513 35 H -3.1567 -4.3893 -0.3736 H 1 UNL1 0.1553 36 H -5.3678 -3.3662 0.0270 H 1 UNL1 0.1520 37 H 6.5357 -2.0252 1.2860 H 1 UNL1 0.1445 38 H 4.9822 -2.2106 2.1167 H 1 UNL1 0.1456 39 H 5.8099 -0.6247 2.1255 H 1 UNL1 0.1189 40 H 6.7317 -0.7098 -0.6509 H 1 UNL1 0.1421 41 H 5.7251 0.7160 -0.2710 H 1 UNL1 0.1260 42 H 5.3018 -0.3646 -1.6311 H 1 UNL1 0.1453 @BOND 1 42 24 1 2 26 10 1 3 25 10 1 4 10 3 1 5 10 15 1 6 40 24 1 7 24 41 1 8 24 4 1 9 2 12 2 10 3 12 ar 11 3 11 ar 12 12 7 ar 13 32 18 1 14 35 21 1 15 11 1 2 16 11 6 ar 17 18 21 ar 18 18 9 ar 19 21 22 ar 20 7 5 ar 21 7 16 ar 22 6 9 ar 23 6 5 ar 24 30 16 1 25 9 13 ar 26 22 36 1 27 22 20 ar 28 5 8 ar 29 16 19 ar 30 13 20 ar 31 13 14 ar 32 20 34 1 33 4 15 1 34 4 23 1 35 8 14 ar 36 8 17 ar 37 19 17 ar 38 19 33 1 39 14 29 1 40 17 31 1 41 15 27 1 42 15 28 1 43 37 23 1 44 23 38 1 45 23 39 1