@MOLECULE 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1h-benzo[de]isoquinoline-1,3(2h)-dione 49 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4251 -3.0595 0.2555 O.2 1 UNL1 -0.4887 2 C 0.9506 -1.9684 0.3044 C.ar 1 UNL1 0.5997 3 C 2.3546 -1.7316 -0.0789 C.ar 1 UNL1 -0.2078 4 C 2.9171 -0.4354 0.0429 C.ar 1 UNL1 0.1098 5 C 2.1160 0.6539 0.4694 C.ar 1 UNL1 -0.2566 6 C 2.6562 1.9200 0.5568 C.ar 1 UNL1 0.0384 7 C 4.0147 2.1347 0.2681 C.ar 1 UNL1 -0.3262 8 C 4.8343 1.0834 -0.1174 C.ar 1 UNL1 0.2637 9 N 6.2050 1.2507 -0.4409 N.pl3 1 UNL1 -0.3993 10 C 6.6229 2.6250 -0.7712 C.3 1 UNL1 -0.2666 11 C 7.1279 0.6239 0.5297 C.3 1 UNL1 -0.2592 12 C 4.2757 -0.2335 -0.2855 C.ar 1 UNL1 -0.1197 13 C 5.0129 -1.3242 -0.8160 C.ar 1 UNL1 -0.0499 14 C 4.4458 -2.5705 -0.9426 C.ar 1 UNL1 -0.2197 15 C 3.1064 -2.7846 -0.5546 C.ar 1 UNL1 -0.0000 16 C 0.6998 0.4494 0.8075 C.ar 1 UNL1 0.6224 17 O -0.0402 1.3574 1.1293 O.2 1 UNL1 -0.5209 18 N 0.1992 -0.8644 0.7543 N.ar 1 UNL1 -0.5450 19 C -1.2026 -1.1045 1.1520 C.3 1 UNL1 -0.0708 20 C -2.1835 -0.7804 0.0031 C.3 1 UNL1 -0.1227 21 N -2.7592 0.5651 0.2344 N.3 1 UNL1 -0.5628 22 C -3.4771 1.0901 -0.9413 C.3 1 UNL1 -0.0999 23 C -4.9210 0.7574 -0.7906 C.ar 1 UNL1 0.0142 24 S -5.6619 0.2999 0.7615 S.2 1 UNL1 0.1624 25 N -5.8023 0.7862 -1.7746 N.ar 1 UNL1 -0.2143 26 N -7.0593 0.4721 -1.4097 N.ar 1 UNL1 -0.2058 27 C -7.2053 0.1845 -0.1263 C.ar 1 UNL1 0.0275 28 C -8.4813 -0.2002 0.4948 C.3 1 UNL1 -0.4363 29 H 2.0288 2.7646 0.8703 H 1 UNL1 0.1804 30 H 4.4114 3.1410 0.3807 H 1 UNL1 0.1709 31 H 6.6611 3.3093 0.0905 H 1 UNL1 0.1307 32 H 7.6294 2.5824 -1.2250 H 1 UNL1 0.1546 33 H 5.9434 3.0466 -1.5332 H 1 UNL1 0.1586 34 H 6.7282 -0.3351 0.8992 H 1 UNL1 0.1554 35 H 8.0846 0.4173 0.0178 H 1 UNL1 0.1554 36 H 7.3290 1.2608 1.4072 H 1 UNL1 0.1363 37 H 6.0405 -1.1519 -1.1492 H 1 UNL1 0.1676 38 H 5.0187 -3.4016 -1.3503 H 1 UNL1 0.1637 39 H 2.6646 -3.7837 -0.6424 H 1 UNL1 0.1779 40 H -1.3170 -2.1714 1.4582 H 1 UNL1 0.1703 41 H -1.6765 -0.8798 -0.9805 H 1 UNL1 0.1338 42 H -2.0292 1.2093 0.5567 H 1 UNL1 0.2988 43 H -3.3601 2.2029 -0.9944 H 1 UNL1 0.1661 44 H -3.0939 0.7002 -1.9171 H 1 UNL1 0.1607 45 H -8.5400 -1.2894 0.6660 H 1 UNL1 0.1742 46 H -8.6601 0.2974 1.4603 H 1 UNL1 0.1689 47 H -9.3384 0.0561 -0.1586 H 1 UNL1 0.1855 48 H -1.4372 -0.4878 2.0541 H 1 UNL1 0.1730 49 H -3.0185 -1.5165 0.0021 H 1 UNL1 0.1513 @BOND 1 44 22 1 2 25 26 ar 3 25 23 ar 4 33 10 1 5 26 27 ar 6 38 14 1 7 32 10 1 8 37 13 1 9 43 22 1 10 41 20 1 11 14 13 ar 12 14 15 ar 13 22 23 1 14 22 21 1 15 13 12 ar 16 23 24 ar 17 10 9 1 18 10 31 1 19 39 15 1 20 15 3 ar 21 9 8 1 22 9 11 1 23 12 8 ar 24 12 4 ar 25 47 28 1 26 27 28 1 27 27 24 ar 28 8 7 ar 29 3 4 ar 30 3 2 ar 31 49 20 1 32 20 21 1 33 20 19 1 34 35 11 1 35 4 5 ar 36 21 42 1 37 1 2 2 38 7 30 1 39 7 6 ar 40 2 18 ar 41 5 6 ar 42 5 16 ar 43 28 45 1 44 28 46 1 45 11 34 1 46 11 36 1 47 6 29 1 48 18 16 ar 49 18 19 1 50 16 17 2 51 19 40 1 52 19 48 1