@MOLECULE 1-methyl-4-{[4-({4-[(1-methyl-4-pyridiniumyl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium 62 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4086 1.9839 0.4351 O.2 1 UNL11 -0.5704 2 N -7.5387 -1.9300 -0.9218 N.ar 1 UNL11 -0.3526 3 N -4.8388 1.3755 -0.5778 N.pl3 1 UNL11 -0.2405 4 N 1.3322 -0.2760 0.2189 N.am 1 UNL11 -0.5689 5 N 6.7422 -1.4342 1.0780 N.pl3 1 UNL11 -0.3199 6 N 9.8019 0.5642 -0.8777 N.ar 1 UNL11 -0.2217 7 C -6.9985 0.3566 -0.0255 C.ar 1 UNL11 0.1081 8 C -7.9024 -0.7404 -0.1939 C.ar 1 UNL11 0.0843 9 C -5.7417 0.3023 -0.6849 C.ar 1 UNL11 -0.3160 10 C -5.4700 -0.7793 -1.5747 C.ar 1 UNL11 -0.1142 11 C -6.3201 -1.8251 -1.6732 C.ar 1 UNL11 -0.1511 12 C -7.4181 1.4351 0.7663 C.ar 1 UNL11 -0.3011 13 C -9.1928 -0.6692 0.3110 C.ar 1 UNL11 -0.1694 14 C -3.5321 1.2481 -0.3186 C.ar 1 UNL11 0.2610 15 C -7.4694 -3.1124 -0.0155 C.3 1 UNL11 -0.2702 16 C -8.7106 1.4770 1.2924 C.ar 1 UNL11 -0.1111 17 C -9.6061 0.4478 1.0510 C.ar 1 UNL11 -0.2459 18 C -2.6907 2.4175 -0.3340 C.ar 1 UNL11 -0.3750 19 C -2.9157 -0.0220 -0.0354 C.ar 1 UNL11 -0.2861 20 C -0.7333 1.0327 0.0801 C.ar 1 UNL11 -0.4015 21 C -1.3433 2.2938 -0.1429 C.ar 1 UNL11 0.0517 22 C -1.5700 -0.1122 0.1554 C.ar 1 UNL11 -0.0117 23 C 2.6601 -0.5198 0.4608 C.ar 1 UNL11 0.3230 24 C 5.3583 -1.1247 0.8758 C.ar 1 UNL11 -0.0928 25 C 0.6840 1.0251 0.2640 C.2 1 UNL11 0.6485 26 C 7.7195 -0.8004 0.4205 C.ar 1 UNL11 0.3106 27 C 3.1732 -1.8100 0.1512 C.ar 1 UNL11 -0.3046 28 C 3.5374 0.4421 1.0296 C.ar 1 UNL11 -0.2321 29 C 4.5082 -2.1034 0.3511 C.ar 1 UNL11 -0.0681 30 C 4.8646 0.1414 1.2337 C.ar 1 UNL11 -0.0986 31 C 9.0970 -1.0983 0.6888 C.ar 1 UNL11 -0.3564 32 C 7.4596 0.2043 -0.5714 C.ar 1 UNL11 -0.3000 33 C 10.0934 -0.4136 0.0421 C.ar 1 UNL11 0.1057 34 C 8.4895 0.8566 -1.1888 C.ar 1 UNL11 0.0886 35 C 10.8932 1.2740 -1.5519 C.3 1 UNL11 -0.2680 36 H -4.5831 -0.7179 -2.2010 H 1 UNL11 0.1352 37 H -6.1853 -2.6452 -2.3679 H 1 UNL11 0.1380 38 H -5.2509 2.3016 -0.6437 H 1 UNL11 0.2942 39 H -6.7351 2.2441 0.9874 H 1 UNL11 0.1343 40 H -9.8897 -1.4841 0.1344 H 1 UNL11 0.1443 41 H -8.4100 -3.2002 0.5469 H 1 UNL11 0.1366 42 H -7.3522 -4.0166 -0.6303 H 1 UNL11 0.1310 43 H -6.6374 -3.0580 0.7013 H 1 UNL11 0.1222 44 H -9.0116 2.3298 1.8945 H 1 UNL11 0.1257 45 H -10.6170 0.4908 1.4345 H 1 UNL11 0.1330 46 H -3.1421 3.3870 -0.4998 H 1 UNL11 0.1521 47 H -3.5663 -0.8923 0.0549 H 1 UNL11 0.1846 48 H -0.7006 3.1788 -0.1577 H 1 UNL11 0.1429 49 H -1.1336 -1.0799 0.3995 H 1 UNL11 0.1152 50 H 0.7562 -1.0640 -0.0774 H 1 UNL11 0.3189 51 H 6.9507 -2.1700 1.7480 H 1 UNL11 0.3229 52 H 2.5087 -2.5693 -0.2564 H 1 UNL11 0.1726 53 H 3.1500 1.4297 1.3132 H 1 UNL11 0.2225 54 H 4.8957 -3.0892 0.0950 H 1 UNL11 0.1505 55 H 5.5301 0.8790 1.6815 H 1 UNL11 0.1525 56 H 9.3512 -1.8704 1.4155 H 1 UNL11 0.1962 57 H 6.4170 0.4369 -0.8323 H 1 UNL11 0.2279 58 H 11.1569 -0.6190 0.2362 H 1 UNL11 0.1868 59 H 8.3147 1.6329 -1.9493 H 1 UNL11 0.1948 60 H 10.5499 2.2364 -1.9783 H 1 UNL11 0.1801 61 H 11.7148 1.5086 -0.8479 H 1 UNL11 0.1752 62 H 11.3066 0.6628 -2.3794 H 1 UNL11 0.1766 @BOND 1 1 25 2 2 2 8 ar 3 2 11 ar 4 2 15 1 5 3 9 1 6 3 14 1 7 3 38 1 8 4 23 1 9 4 25 am 10 4 50 1 11 5 24 1 12 5 26 1 13 5 51 1 14 6 33 ar 15 6 34 ar 16 6 35 1 17 7 8 ar 18 7 9 ar 19 7 12 ar 20 8 13 ar 21 9 10 ar 22 10 11 ar 23 10 36 1 24 11 37 1 25 12 16 ar 26 12 39 1 27 13 17 ar 28 13 40 1 29 14 18 ar 30 14 19 ar 31 15 41 1 32 15 42 1 33 15 43 1 34 16 17 ar 35 16 44 1 36 17 45 1 37 18 21 ar 38 18 46 1 39 19 22 ar 40 19 47 1 41 20 21 ar 42 20 22 ar 43 20 25 1 44 21 48 1 45 22 49 1 46 23 27 ar 47 23 28 ar 48 24 29 ar 49 24 30 ar 50 26 31 ar 51 26 32 ar 52 27 29 ar 53 27 52 1 54 28 30 ar 55 28 53 1 56 29 54 1 57 30 55 1 58 31 33 ar 59 31 56 1 60 32 34 ar 61 32 57 1 62 33 58 1 63 34 59 1 64 35 60 1 65 35 61 1 66 35 62 1