@MOLECULE 1-isobutyl-2-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-4,9-dioxo-4,9-dihydro-1h-naphtho[2,3-d]imidazol-3-ium 32 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.3470 -0.6354 -0.9147 O.2 1 UNL1 -0.3604 2 O -0.6230 -1.1855 1.1802 O.2 1 UNL1 -0.3254 3 O -1.8012 1.1352 3.2158 O.2 1 UNL1 -0.4078 4 O -5.8578 -0.0239 -2.8589 O.2 1 UNL1 -0.3724 5 O -6.9872 -0.8418 -1.2118 O.2 1 UNL1 -0.3627 6 N 2.6745 1.7692 -0.1722 N.ar 1 UNL1 -0.2529 7 N 0.5703 1.4880 0.8443 N.ar 1 UNL1 0.0726 8 N -6.0109 -0.2854 -1.6789 N.pl3 1 UNL1 0.6419 9 C 2.4021 0.3830 -0.0061 C.ar 1 UNL1 0.0217 10 C 3.6557 2.5258 -0.6735 C.3 1 UNL1 0.2070 11 C 1.5126 2.4633 0.3479 C.ar 1 UNL1 -0.3134 12 C 1.1767 0.2052 0.5655 C.ar 1 UNL1 -0.1396 13 C 4.8668 1.9939 -1.1908 C.2 1 UNL1 -0.8290 14 C -0.5207 1.7857 1.3923 C.3 1 UNL1 -0.2371 15 C 3.2625 -0.7593 -0.4063 C.2 1 UNL1 0.4568 16 C 0.5131 -1.0861 0.7977 C.2 1 UNL1 0.4619 17 C 2.6732 -2.0799 -0.1211 C.ar 1 UNL1 -0.1368 18 C 1.3709 -2.2444 0.4678 C.ar 1 UNL1 -0.0986 19 C 1.3628 3.8104 0.3584 C.2 1 UNL1 0.6030 20 C 5.5546 2.2466 -2.3477 C.2 1 UNL1 0.3616 21 C 5.8622 1.1535 -0.7278 C.3 1 UNL1 0.3809 22 C -1.6582 1.2292 2.0157 C.2 1 UNL1 0.4711 23 C 3.3085 -3.2690 -0.3715 C.ar 1 UNL1 0.0771 24 C 1.0286 -3.5548 0.6683 C.ar 1 UNL1 0.0597 25 C -2.7710 0.8885 1.0863 C.ar 1 UNL1 -0.0202 26 C 2.9173 -4.5086 -0.1523 C.ar 1 UNL1 0.0130 27 C 1.6940 -4.6643 0.4083 C.ar 1 UNL1 0.0373 28 C -3.9052 0.1485 1.3909 C.ar 1 UNL1 0.0275 29 C -2.8743 1.1916 -0.2658 C.ar 1 UNL1 -0.0400 30 C -4.8729 -0.2065 0.5832 C.ar 1 UNL1 0.0161 31 C -3.8283 0.8499 -1.0901 C.ar 1 UNL1 0.0231 32 C -4.9563 0.0988 -0.7703 C.ar 1 UNL1 -0.0361 @BOND 1 4 8 2 2 20 13 2 3 8 5 2 4 8 32 1 5 13 21 1 6 13 10 1 7 31 32 ar 8 31 29 ar 9 1 15 2 10 32 30 ar 11 10 6 1 12 15 17 1 13 15 9 1 14 23 26 ar 15 23 17 ar 16 29 25 ar 17 6 9 ar 18 6 11 ar 19 26 27 ar 20 17 18 ar 21 9 12 ar 22 11 19 2 23 11 7 ar 24 27 24 ar 25 18 24 ar 26 18 16 1 27 12 16 1 28 12 7 ar 29 30 28 ar 30 16 2 2 31 7 14 1 32 25 28 ar 33 25 22 1 34 14 22 1 35 22 3 2