@MOLECULE 2-(4-diazoniophenyl)-16,16-dimethyl-3,12-dioxo-13-oxa-2,4-diaza-16-azoniaheptadecane 64 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.3519 -1.5467 -0.2240 O.3 1 UNL1 -0.3844 2 O 1.2305 -3.7433 -0.6473 O.2 1 UNL1 -0.5363 3 O 0.2920 1.3412 1.4391 O.2 1 UNL1 -0.6473 4 N -1.9927 -1.8378 1.4370 N.4 1 UNL1 0.0888 5 N 1.9554 2.8063 0.8878 N.am 1 UNL1 -0.6026 6 N 0.0574 2.5166 -0.5260 N.am 1 UNL1 -0.4438 7 N -5.0224 0.2459 -1.2059 N.2 1 UNL1 -0.0084 8 N -5.7077 -0.6473 -0.8598 N.2 1 UNL1 -0.4692 9 C -0.9330 -1.9428 0.3664 C.3 1 UNL1 -0.2321 10 C -3.3208 -2.1660 0.8141 C.3 1 UNL1 -0.3622 11 C -2.0300 -0.4525 2.0048 C.3 1 UNL1 -0.3684 12 C -1.7234 -2.8214 2.5399 C.3 1 UNL1 -0.3495 13 C 0.4911 -1.7114 0.8899 C.3 1 UNL1 -0.0596 14 C 5.2331 -0.0399 -0.3221 C.3 1 UNL1 -0.2687 15 C 4.3961 -1.2891 -0.6286 C.3 1 UNL1 -0.2720 16 C 4.4003 1.1818 0.0942 C.3 1 UNL1 -0.2635 17 C 3.4362 -1.0707 -1.8041 C.3 1 UNL1 -0.2494 18 C 3.5302 0.9000 1.3231 C.3 1 UNL1 -0.3161 19 C 2.5862 -2.3174 -2.0717 C.3 1 UNL1 -0.3437 20 C 2.8530 2.1740 1.8631 C.3 1 UNL1 -0.0599 21 C 1.6750 -2.6606 -0.9361 C.2 1 UNL1 0.6086 22 C 0.7219 2.1794 0.6556 C.2 1 UNL1 0.7246 23 C -1.2631 1.9758 -0.6852 C.ar 1 UNL1 -0.0479 24 C 0.2498 3.8453 -1.1266 C.3 1 UNL1 -0.2369 25 C -2.3520 2.4359 0.0757 C.ar 1 UNL1 -0.1036 26 C -1.4259 0.9418 -1.6153 C.ar 1 UNL1 -0.0778 27 C -3.5698 1.7994 -0.0187 C.ar 1 UNL1 -0.2955 28 C -2.6406 0.2915 -1.7131 C.ar 1 UNL1 -0.3494 29 C -3.7323 0.6851 -0.8905 C.ar 1 UNL1 0.0199 30 H -1.1529 -1.1727 -0.4297 H 1 UNL1 0.2230 31 H -0.9990 -2.9387 -0.1303 H 1 UNL1 0.1856 32 H -3.5094 -1.5311 -0.0868 H 1 UNL1 0.2412 33 H -3.3784 -3.2156 0.4945 H 1 UNL1 0.1705 34 H -4.1646 -1.9514 1.4928 H 1 UNL1 0.1923 35 H -2.1052 0.3100 1.1861 H 1 UNL1 0.2419 36 H -2.8937 -0.3066 2.6690 H 1 UNL1 0.1744 37 H -1.1033 -0.1923 2.5468 H 1 UNL1 0.1945 38 H -1.5786 -3.8394 2.1379 H 1 UNL1 0.1763 39 H -0.8173 -2.5496 3.1076 H 1 UNL1 0.1731 40 H -2.5669 -2.8512 3.2517 H 1 UNL1 0.1763 41 H 0.8554 -2.5298 1.5317 H 1 UNL1 0.1352 42 H 0.6077 -0.7264 1.4032 H 1 UNL1 0.2012 43 H 5.9581 -0.2802 0.4800 H 1 UNL1 0.1348 44 H 5.8444 0.2222 -1.2074 H 1 UNL1 0.1351 45 H 5.0736 -2.1370 -0.8474 H 1 UNL1 0.1332 46 H 3.8275 -1.5859 0.2741 H 1 UNL1 0.1429 47 H 3.7621 1.5018 -0.7518 H 1 UNL1 0.1376 48 H 5.0810 2.0303 0.2994 H 1 UNL1 0.1312 49 H 2.7756 -0.2013 -1.5975 H 1 UNL1 0.1662 50 H 4.0071 -0.8047 -2.7144 H 1 UNL1 0.1432 51 H 4.1354 0.4386 2.1239 H 1 UNL1 0.1410 52 H 2.7467 0.1569 1.0637 H 1 UNL1 0.1639 53 H 3.2347 -3.1937 -2.2919 H 1 UNL1 0.1770 54 H 1.9686 -2.1670 -2.9875 H 1 UNL1 0.1853 55 H 3.6134 2.9280 2.1632 H 1 UNL1 0.1350 56 H 2.2620 1.9228 2.7768 H 1 UNL1 0.1603 57 H 2.4122 3.2859 0.1261 H 1 UNL1 0.2986 58 H 0.1416 4.6634 -0.3960 H 1 UNL1 0.1379 59 H -0.5048 4.0013 -1.9226 H 1 UNL1 0.1716 60 H 1.2431 3.9050 -1.6003 H 1 UNL1 0.1329 61 H -2.2138 3.2728 0.7560 H 1 UNL1 0.1426 62 H -0.5831 0.6457 -2.2374 H 1 UNL1 0.1427 63 H -4.4210 2.1291 0.5661 H 1 UNL1 0.1562 64 H -2.7889 -0.5053 -2.4306 H 1 UNL1 0.1514 @BOND 1 54 19 1 2 50 17 1 3 64 28 1 4 53 19 1 5 62 26 1 6 19 17 1 7 19 21 1 8 59 24 1 9 17 49 1 10 17 15 1 11 28 26 ar 12 28 29 ar 13 26 23 ar 14 60 24 1 15 44 14 1 16 7 29 1 17 7 8 2 18 24 6 1 19 24 58 1 20 21 2 2 21 21 1 1 22 29 27 ar 23 45 15 1 24 47 16 1 25 23 6 1 26 23 25 ar 27 15 14 1 28 15 46 1 29 6 22 am 30 30 9 1 31 14 16 1 32 14 43 1 33 1 13 1 34 31 9 1 35 32 10 1 36 27 25 ar 37 27 63 1 38 25 61 1 39 16 48 1 40 16 18 1 41 57 5 1 42 9 13 1 43 9 4 1 44 33 10 1 45 22 5 am 46 22 3 2 47 10 4 1 48 10 34 1 49 5 20 1 50 13 42 1 51 13 41 1 52 52 18 1 53 35 11 1 54 18 20 1 55 18 51 1 56 4 11 1 57 4 12 1 58 20 55 1 59 20 56 1 60 11 37 1 61 11 36 1 62 38 12 1 63 12 39 1 64 12 40 1