@MOLECULE n,n-dimethyl-n'-(1-nitro-9-acridinyl)-1,4-butanediamine 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9763 1.5869 1.0262 O.2 1 UNL1111111111 -0.4139 2 O -0.5878 0.1342 1.7948 O.2 1 UNL1111111111 -0.3907 3 N 0.3893 -1.3381 -0.5979 N.pl3 1 UNL1111111111 -0.4459 4 N -5.7645 -0.5710 -0.4160 N.3 1 UNL1111111111 -0.3903 5 N 3.7218 1.0316 -0.5182 N.ar 1 UNL1111111111 -0.4901 6 N -0.8610 1.0901 1.0884 N.pl3 1 UNL1111111111 0.6109 7 C -2.0742 -1.5134 -0.4297 C.3 1 UNL1111111111 -0.3071 8 C -3.3639 -0.8069 -0.8501 C.3 1 UNL1111111111 -0.2779 9 C -0.8835 -0.9172 -1.1973 C.3 1 UNL1111111111 -0.0790 10 C 1.3892 -0.5227 -0.1948 C.ar 1 UNL1111111111 0.3585 11 C -4.5547 -1.3403 -0.0289 C.3 1 UNL1111111111 -0.1162 12 C 1.3136 0.8991 -0.1189 C.ar 1 UNL1111111111 -0.2958 13 C 2.6875 -1.1140 0.0258 C.ar 1 UNL1111111111 -0.2472 14 C 2.5179 1.6120 -0.4399 C.ar 1 UNL1111111111 0.2661 15 C 3.8240 -0.2869 -0.1822 C.ar 1 UNL1111111111 0.2611 16 C 0.2063 1.6932 0.2946 C.ar 1 UNL1111111111 0.0161 17 C 2.8835 -2.4631 0.4124 C.ar 1 UNL1111111111 -0.0879 18 C 2.4374 3.0327 -0.7029 C.ar 1 UNL1111111111 -0.1347 19 C 5.1336 -0.8487 -0.0624 C.ar 1 UNL1111111111 -0.1839 20 C 0.1595 3.0476 0.1038 C.ar 1 UNL1111111111 -0.1469 21 C -5.8305 0.7151 0.3121 C.3 1 UNL1111111111 -0.2829 22 C -6.9905 -1.3600 -0.1661 C.3 1 UNL1111111111 -0.2831 23 C 1.2825 3.7119 -0.4742 C.ar 1 UNL1111111111 -0.1301 24 C 4.1482 -2.9758 0.5440 C.ar 1 UNL1111111111 -0.1963 25 C 5.2826 -2.1616 0.2894 C.ar 1 UNL1111111111 -0.0922 26 H -1.9255 -1.4040 0.6663 H 1 UNL1111111111 0.1742 27 H -2.1506 -2.6001 -0.6139 H 1 UNL1111111111 0.1407 28 H -3.5685 -0.9453 -1.9280 H 1 UNL1111111111 0.1497 29 H -3.2724 0.2886 -0.7017 H 1 UNL1111111111 0.1584 30 H -0.8900 -1.2796 -2.2562 H 1 UNL1111111111 0.1519 31 H -0.9550 0.1892 -1.2677 H 1 UNL1111111111 0.1606 32 H -4.7095 -2.4148 -0.2617 H 1 UNL1111111111 0.1300 33 H -4.3330 -1.2759 1.0576 H 1 UNL1111111111 0.1237 34 H 0.4979 -2.3431 -0.4963 H 1 UNL1111111111 0.3161 35 H 2.0192 -3.0874 0.6361 H 1 UNL1111111111 0.1418 36 H 3.3431 3.5179 -1.0727 H 1 UNL1111111111 0.1806 37 H 5.9855 -0.1943 -0.2493 H 1 UNL1111111111 0.1783 38 H -0.7015 3.6411 0.4195 H 1 UNL1111111111 0.1830 39 H -5.9740 0.6171 1.3983 H 1 UNL1111111111 0.1211 40 H -4.8992 1.2828 0.1425 H 1 UNL1111111111 0.1534 41 H -6.6577 1.3143 -0.1012 H 1 UNL1111111111 0.1422 42 H -6.9688 -2.2650 -0.7949 H 1 UNL1111111111 0.1418 43 H -7.8667 -0.7698 -0.4820 H 1 UNL1111111111 0.1453 44 H -7.1349 -1.6617 0.8815 H 1 UNL1111111111 0.1186 45 H 1.2006 4.7785 -0.6828 H 1 UNL1111111111 0.1608 46 H 4.3024 -4.0076 0.8511 H 1 UNL1111111111 0.1558 47 H 6.2749 -2.6018 0.3891 H 1 UNL1111111111 0.1513 @BOND 1 1 6 2 2 2 6 2 3 3 9 1 4 3 10 1 5 3 34 1 6 4 11 1 7 4 21 1 8 4 22 1 9 5 14 ar 10 5 15 ar 11 6 16 1 12 7 8 1 13 7 9 1 14 7 26 1 15 7 27 1 16 8 11 1 17 8 28 1 18 8 29 1 19 9 30 1 20 9 31 1 21 10 12 ar 22 10 13 ar 23 11 32 1 24 11 33 1 25 12 14 ar 26 12 16 ar 27 13 15 ar 28 13 17 ar 29 14 18 ar 30 15 19 ar 31 16 20 ar 32 17 24 ar 33 17 35 1 34 18 23 ar 35 18 36 1 36 19 25 ar 37 19 37 1 38 20 23 ar 39 20 38 1 40 21 39 1 41 21 40 1 42 21 41 1 43 22 42 1 44 22 43 1 45 22 44 1 46 23 45 1 47 24 25 ar 48 24 46 1 49 25 47 1