@MOLECULE 2-[(e)-{4-[(2-cyanoethyl)(ethyl)amino]phenyl}diazenyl]-5-nitrobenzonitrile 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.3531 0.5580 1.4937 O.2 1 UNL111111111111 -0.3925 2 O 7.5109 -0.7946 -0.1753 O.2 1 UNL111111111111 -0.3849 3 N -5.0716 0.8333 -0.1357 N.pl3 1 UNL111111111111 -0.4523 4 N 0.4895 0.3208 0.5977 N.2 1 UNL111111111111 -0.1179 5 N 1.3046 0.3162 -0.3512 N.2 1 UNL111111111111 -0.1936 6 N 6.8678 -0.0830 0.5767 N.pl3 1 UNL111111111111 0.6277 7 N -7.1377 -3.3365 1.1143 N.1 1 UNL111111111111 -0.2517 8 N 2.3718 -1.8793 -2.8439 N.1 1 UNL111111111111 -0.2032 9 C -5.7416 -0.4866 -0.2462 C.3 1 UNL111111111111 -0.0884 10 C -5.5117 1.7650 -1.2075 C.3 1 UNL111111111111 -0.0766 11 C -3.6409 0.6905 -0.0528 C.ar 1 UNL111111111111 0.2081 12 C -5.7273 -1.1550 1.1485 C.3 1 UNL111111111111 -0.2793 13 C -2.8198 0.4481 -1.1630 C.ar 1 UNL111111111111 -0.2426 14 C -3.0824 0.8176 1.2283 C.ar 1 UNL111111111111 -0.2060 15 C -4.8495 3.1324 -1.0211 C.3 1 UNL111111111111 -0.4537 16 C -1.4461 0.3362 -0.9960 C.ar 1 UNL111111111111 -0.0864 17 C -1.7121 0.6945 1.4014 C.ar 1 UNL111111111111 -0.0776 18 C -0.8907 0.4561 0.2860 C.ar 1 UNL111111111111 0.0109 19 C -6.5093 -2.3656 1.1299 C.1 1 UNL111111111111 0.1100 20 C 2.6875 0.1835 -0.0171 C.ar 1 UNL111111111111 0.1819 21 C 3.4689 -0.6025 -0.8915 C.ar 1 UNL111111111111 -0.0577 22 C 3.2876 0.8724 1.0448 C.ar 1 UNL111111111111 -0.1944 23 C 5.4277 0.0075 0.3679 C.ar 1 UNL111111111111 -0.0993 24 C 4.8478 -0.6891 -0.6942 C.ar 1 UNL111111111111 -0.0449 25 C 4.6603 0.7875 1.2393 C.ar 1 UNL111111111111 -0.0442 26 C 2.8652 -1.3072 -1.9677 C.1 1 UNL111111111111 0.1165 27 H -5.2647 -1.1528 -0.9976 H 1 UNL111111111111 0.1358 28 H -6.7956 -0.3309 -0.5696 H 1 UNL111111111111 0.1530 29 H -6.6172 1.8734 -1.1058 H 1 UNL111111111111 0.1453 30 H -5.3115 1.3738 -2.2277 H 1 UNL111111111111 0.1182 31 H -6.1199 -0.4330 1.9078 H 1 UNL111111111111 0.1944 32 H -4.6765 -1.3628 1.4653 H 1 UNL111111111111 0.1864 33 H -3.2558 0.3471 -2.1556 H 1 UNL111111111111 0.1702 34 H -3.7342 1.0271 2.0775 H 1 UNL111111111111 0.1787 35 H -4.9580 3.4844 0.0140 H 1 UNL111111111111 0.1632 36 H -5.3061 3.8820 -1.6768 H 1 UNL111111111111 0.1502 37 H -3.7762 3.1042 -1.2426 H 1 UNL111111111111 0.1525 38 H -0.7955 0.1463 -1.8556 H 1 UNL111111111111 0.1843 39 H -1.2650 0.7838 2.3943 H 1 UNL111111111111 0.1737 40 H 2.6678 1.4682 1.7207 H 1 UNL111111111111 0.1899 41 H 5.4696 -1.2973 -1.3662 H 1 UNL111111111111 0.2028 42 H 5.1405 1.3223 2.0686 H 1 UNL111111111111 0.1937 @BOND 1 1 6 2 2 2 6 2 3 3 9 1 4 3 10 1 5 3 11 1 6 4 5 2 7 4 18 1 8 5 20 1 9 6 23 1 10 7 19 3 11 8 26 3 12 9 12 1 13 9 27 1 14 9 28 1 15 10 15 1 16 10 29 1 17 10 30 1 18 11 13 ar 19 11 14 ar 20 12 19 1 21 12 31 1 22 12 32 1 23 13 16 ar 24 13 33 1 25 14 17 ar 26 14 34 1 27 15 35 1 28 15 36 1 29 15 37 1 30 16 18 ar 31 16 38 1 32 17 18 ar 33 17 39 1 34 20 21 ar 35 20 22 ar 36 21 24 ar 37 21 26 1 38 22 25 ar 39 22 40 1 40 23 24 ar 41 23 25 ar 42 24 41 1 43 25 42 1