@MOLECULE (e,e)-n,n'-1,4-piperazinediylbis[1-(1-methyl-5-nitro-1h-imidazol-2-yl)methanimine] 46 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 6.4692 -1.6152 -0.2761 C.ar 1 UNL1 0.0649 2 C -6.1265 0.8344 -1.4991 C.ar 1 UNL1 0.0621 3 C 5.0340 1.7373 0.0846 C.3 1 UNL1 -0.2586 4 C -5.4093 -1.0130 1.5848 C.3 1 UNL1 -0.2541 5 C 6.6087 -0.2361 0.0170 C.ar 1 UNL1 -0.1659 6 C -6.5610 0.2592 -0.2815 C.ar 1 UNL1 -0.1606 7 C 4.4805 -0.6857 -0.4734 C.ar 1 UNL1 0.2182 8 C -4.3808 -0.1122 -0.5526 C.ar 1 UNL1 0.2233 9 O 8.8273 -0.1642 0.4315 O.2 1 UNL1 -0.3821 10 O -8.7465 0.8306 -0.3285 O.2 1 UNL1 -0.3801 11 C 0.2377 -0.5006 -1.2024 C.3 1 UNL1 -0.1886 12 C 0.3622 1.3874 0.3658 C.3 1 UNL1 -0.1252 13 C -0.3127 -1.3913 -0.0725 C.3 1 UNL1 -0.1948 14 C -0.2592 0.5056 1.4735 C.3 1 UNL1 -0.1281 15 C 3.0531 -0.6289 -0.7435 C.2 1 UNL1 -0.0958 16 C -3.0135 -0.5975 -0.3910 C.2 1 UNL1 -0.1078 17 N 2.3574 0.3790 -0.3117 N.2 1 UNL1 -0.1805 18 N -2.3215 -0.1472 0.6086 N.2 1 UNL1 -0.1473 19 O 7.6947 1.6574 0.6591 O.2 1 UNL1 -0.4343 20 O -8.0537 -0.4130 1.2938 O.2 1 UNL1 -0.4335 21 N 5.1683 -1.8716 -0.5741 N.ar 1 UNL1 -0.3910 22 N -4.7936 0.5920 -1.6521 N.ar 1 UNL1 -0.3845 23 N 1.0766 0.6013 -0.6742 N.pl3 1 UNL1 -0.2235 24 N -1.0860 -0.6017 0.9195 N.pl3 1 UNL1 -0.2284 25 N 7.7840 0.4666 0.3918 N.pl3 1 UNL1 0.6745 26 N -7.8707 0.2249 0.2658 N.pl3 1 UNL1 0.6742 27 N 5.3372 0.3352 -0.1189 N.ar 1 UNL1 -0.1371 28 N -5.4344 -0.3289 0.3080 N.ar 1 UNL1 -0.1510 29 H 7.2338 -2.3783 -0.2776 H 1 UNL1 0.2057 30 H -6.7081 1.3803 -2.2271 H 1 UNL1 0.2055 31 H 2.6799 -1.5014 -1.3022 H 1 UNL1 0.1861 32 H -2.6830 -1.2738 -1.1883 H 1 UNL1 0.1782 33 H 5.7740 2.3827 -0.4343 H 1 UNL1 0.1868 34 H 4.0264 1.9954 -0.2986 H 1 UNL1 0.1878 35 H 5.0675 1.9913 1.1638 H 1 UNL1 0.1787 36 H -6.0340 -1.9300 1.5516 H 1 UNL1 0.1825 37 H -4.3759 -1.2907 1.8687 H 1 UNL1 0.1759 38 H -5.8215 -0.3651 2.3874 H 1 UNL1 0.1861 39 H 0.8008 -1.0985 -1.9498 H 1 UNL1 0.1640 40 H -0.5937 -0.0200 -1.7732 H 1 UNL1 0.1778 41 H -0.4291 1.9647 -0.1684 H 1 UNL1 0.1705 42 H 1.0568 2.1333 0.8142 H 1 UNL1 0.1725 43 H -0.9328 -2.2199 -0.4719 H 1 UNL1 0.1612 44 H 0.5176 -1.8852 0.4859 H 1 UNL1 0.1747 45 H 0.5301 0.0330 2.1003 H 1 UNL1 0.1658 46 H -0.8829 1.1287 2.1549 H 1 UNL1 0.1757 @BOND 1 30 2 1 2 39 11 1 3 40 11 1 4 22 2 ar 5 22 8 ar 6 2 6 ar 7 31 15 1 8 11 23 1 9 11 13 1 10 32 16 1 11 15 7 1 12 15 17 2 13 23 17 1 14 23 12 1 15 21 7 ar 16 21 1 ar 17 8 16 1 18 8 28 ar 19 7 27 ar 20 43 13 1 21 33 3 1 22 16 18 2 23 10 26 2 24 34 3 1 25 6 26 1 26 6 28 ar 27 29 1 1 28 1 5 ar 29 41 12 1 30 27 5 ar 31 27 3 1 32 13 44 1 33 13 24 1 34 5 25 1 35 3 35 1 36 26 20 2 37 28 4 1 38 12 42 1 39 12 14 1 40 25 9 2 41 25 19 2 42 18 24 1 43 24 14 1 44 14 45 1 45 14 46 1 46 36 4 1 47 4 37 1 48 4 38 1