@MOLECULE (3e,5e)-1-acryloyl-3,5-bis(4-nitrobenzylidene)-4-piperidinone 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.9562 -0.2987 -0.8434 C.ar 1 UNL1 -0.1624 2 C -4.5248 1.6648 0.5413 C.ar 1 UNL1 -0.1775 3 C 4.7837 1.6897 0.2813 C.ar 1 UNL1 -0.1734 4 C -3.9726 0.0076 -1.1467 C.ar 1 UNL1 -0.1801 5 C 5.1771 -0.9312 -0.6363 C.ar 1 UNL1 -0.0738 6 C -5.7493 1.0426 0.7582 C.ar 1 UNL1 -0.0735 7 C 6.0050 1.0629 0.4997 C.ar 1 UNL1 -0.0836 8 C -5.1951 -0.6205 -0.9383 C.ar 1 UNL1 -0.0744 9 C 3.7590 1.0062 -0.3816 C.ar 1 UNL1 0.0222 10 C -3.6342 1.1402 -0.3995 C.ar 1 UNL1 0.0360 11 C 6.1895 -0.2440 0.0393 C.ar 1 UNL1 -0.0830 12 C -6.0684 -0.1018 0.0221 C.ar 1 UNL1 -0.0915 13 O 0.0943 3.1453 -0.7501 O.2 1 UNL1 -0.4255 14 O 1.1827 -1.9770 -0.5561 O.2 1 UNL1 -0.5101 15 O 8.3096 -0.3116 0.9251 O.2 1 UNL1 -0.4025 16 O -7.5831 -1.7849 -0.3703 O.2 1 UNL1 -0.3960 17 C 1.2514 0.1914 1.0284 C.3 1 UNL1 -0.0835 18 C -1.1851 0.1955 0.9694 C.3 1 UNL1 -0.0868 19 C 0.1007 -1.6335 -0.1274 C.2 1 UNL1 0.5807 20 C 1.3386 1.3105 0.0297 C.2 1 UNL1 -0.1722 21 C -1.2110 1.3483 0.0043 C.2 1 UNL1 -0.1676 22 C 0.0798 2.0346 -0.2700 C.2 1 UNL1 0.4556 23 C 2.4712 1.6722 -0.5876 C.2 1 UNL1 -0.0880 24 C -2.3288 1.7756 -0.5953 C.2 1 UNL1 -0.1109 25 C -1.1538 -2.3231 -0.5171 C.2 1 UNL1 -0.2431 26 O 7.6318 -2.0201 -0.1933 O.2 1 UNL1 -0.3936 27 O -8.0973 -0.2861 1.0867 O.2 1 UNL1 -0.3918 28 N 7.4650 -0.9047 0.2726 N.pl3 1 UNL1 0.6204 29 N -7.3395 -0.7698 0.2621 N.pl3 1 UNL1 0.6199 30 N 0.0328 -0.6096 0.8333 N.am 1 UNL1 -0.4758 31 C -1.8925 -3.0230 0.3402 C.2 1 UNL1 -0.2296 32 H 2.1422 -0.4867 0.9742 H 1 UNL1 0.1892 33 H 1.2448 0.6008 2.0682 H 1 UNL1 0.1608 34 H -1.2309 0.5856 2.0192 H 1 UNL1 0.1670 35 H -2.0848 -0.4563 0.8578 H 1 UNL1 0.1682 36 H 2.4888 2.5148 -1.2945 H 1 UNL1 0.1864 37 H -2.3225 2.6417 -1.2727 H 1 UNL1 0.1932 38 H 3.1441 -0.8308 -1.3518 H 1 UNL1 0.1933 39 H -4.2578 2.5589 1.1063 H 1 UNL1 0.1739 40 H 4.6228 2.7091 0.6321 H 1 UNL1 0.1689 41 H -3.2779 -0.3811 -1.8920 H 1 UNL1 0.1717 42 H 5.3407 -1.9553 -0.9902 H 1 UNL1 0.1908 43 H -6.4551 1.4395 1.4964 H 1 UNL1 0.1885 44 H 6.8131 1.5821 1.0250 H 1 UNL1 0.1846 45 H -5.4730 -1.5097 -1.5146 H 1 UNL1 0.1873 46 H -1.3684 -2.2597 -1.5853 H 1 UNL1 0.1763 47 H -2.7763 -3.5778 0.0516 H 1 UNL1 0.1574 48 H -1.6688 -3.1078 1.3968 H 1 UNL1 0.1577 @BOND 1 41 4 1 2 46 25 1 3 45 8 1 4 38 1 1 5 36 23 1 6 37 24 1 7 4 8 ar 8 4 10 ar 9 42 5 1 10 8 12 ar 11 1 5 ar 12 1 9 ar 13 13 22 2 14 5 11 ar 15 24 10 1 16 24 21 2 17 23 9 1 18 23 20 2 19 14 19 2 20 25 19 1 21 25 31 2 22 10 2 ar 23 9 3 ar 24 16 29 2 25 22 21 1 26 22 20 1 27 26 28 2 28 19 30 am 29 21 18 1 30 12 29 1 31 12 6 ar 32 20 17 1 33 11 28 1 34 11 7 ar 35 47 31 1 36 29 27 2 37 28 15 2 38 3 7 ar 39 3 40 1 40 31 48 1 41 7 44 1 42 2 6 ar 43 2 39 1 44 6 43 1 45 30 18 1 46 30 17 1 47 35 18 1 48 18 34 1 49 32 17 1 50 17 33 1