@MOLECULE 6-[(4-aminobutyl)(ethyl)amino]-2,3-dihydro-1,4-phthalazinedione 40 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5398 -2.3466 -0.3092 O.2 1 UNL1 -0.8778 2 O 4.3773 1.2434 0.1798 O.2 1 UNL1 -0.5653 3 N -2.1210 1.7178 0.4983 N.pl3 1 UNL1 -0.4169 4 N -1.4228 -3.8611 -0.4009 N.4 1 UNL1 -0.3343 5 N 3.6929 -0.8530 -0.2111 N.ar 1 UNL1 -0.3732 6 N 2.7656 -1.8556 -0.3550 N.ar 1 UNL1 -0.3841 7 C -3.1133 0.6969 0.0421 C.3 1 UNL1 -0.0924 8 C -3.1020 -0.6405 0.8147 C.3 1 UNL1 -0.2853 9 C -2.9128 -1.8419 -0.1443 C.3 1 UNL1 -0.2982 10 C -0.7280 1.4458 0.3739 C.ar 1 UNL1 0.2187 11 C -2.4700 3.0129 -0.1322 C.3 1 UNL1 -0.0881 12 C -2.1903 -2.9935 0.5728 C.3 1 UNL1 -0.1505 13 C -0.2770 0.1529 0.1510 C.ar 1 UNL1 -0.2816 14 C 0.2466 2.4667 0.5155 C.ar 1 UNL1 -0.2624 15 C 1.0767 -0.1243 0.0475 C.ar 1 UNL1 -0.0234 16 C -2.2175 3.0042 -1.6428 C.3 1 UNL1 -0.4869 17 C 2.0272 0.8802 0.1722 C.ar 1 UNL1 -0.1739 18 C 1.6006 2.1863 0.4252 C.ar 1 UNL1 -0.0320 19 C 1.4884 -1.5212 -0.2206 C.ar 1 UNL1 0.5392 20 C 3.4280 0.4852 0.0416 C.ar 1 UNL1 0.5369 21 H -3.0180 0.5238 -1.0532 H 1 UNL1 0.1275 22 H -4.1201 1.1599 0.2012 H 1 UNL1 0.1405 23 H -2.3088 -0.6179 1.5909 H 1 UNL1 0.1781 24 H -4.0328 -0.7500 1.3982 H 1 UNL1 0.1434 25 H -3.8879 -2.1527 -0.5505 H 1 UNL1 0.1413 26 H -2.2987 -1.5190 -1.0237 H 1 UNL1 0.1736 27 H -3.5327 3.2458 0.0840 H 1 UNL1 0.1348 28 H -1.8724 3.8152 0.3607 H 1 UNL1 0.1533 29 H -1.4356 -2.5518 1.2856 H 1 UNL1 0.2076 30 H -2.8895 -3.6097 1.1626 H 1 UNL1 0.1434 31 H -0.9386 -0.6871 0.0169 H 1 UNL1 0.1780 32 H -0.0718 3.4995 0.6828 H 1 UNL1 0.1615 33 H -1.1901 2.6860 -1.8695 H 1 UNL1 0.1712 34 H -2.8941 2.3194 -2.1594 H 1 UNL1 0.1413 35 H -2.3560 3.9928 -2.0819 H 1 UNL1 0.1530 36 H -0.3843 -3.3705 -0.5506 H 1 UNL1 0.4321 37 H -1.9202 -3.9532 -1.2877 H 1 UNL1 0.2697 38 H -1.2614 -4.7920 -0.0130 H 1 UNL1 0.2687 39 H 2.3383 2.9816 0.5620 H 1 UNL1 0.1769 40 H 4.6426 -1.1977 -0.3049 H 1 UNL1 0.3355 @BOND 1 34 16 1 2 35 16 1 3 33 16 1 4 16 11 1 5 37 4 1 6 21 7 1 7 26 9 1 8 36 4 1 9 25 9 1 10 4 38 1 11 4 12 1 12 6 19 ar 13 6 5 ar 14 1 19 2 15 40 5 1 16 19 15 ar 17 5 20 ar 18 9 12 1 19 9 8 1 20 11 27 1 21 11 28 1 22 11 3 1 23 31 13 1 24 20 17 ar 25 20 2 2 26 7 22 1 27 7 3 1 28 7 8 1 29 15 13 ar 30 15 17 ar 31 13 10 ar 32 17 18 ar 33 10 3 1 34 10 14 ar 35 18 14 ar 36 18 39 1 37 14 32 1 38 12 30 1 39 12 29 1 40 8 24 1 41 8 23 1