@MOLECULE 7-(2,4-diamino-6-ethyl-5-pyrimidinyl)-1-(3-methoxypropyl)quinolinium 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.1409 -0.7912 0.5653 C.ar 1 UNL1111111 0.4883 2 N 3.4423 -1.1817 0.4070 N.ar 1 UNL1111111 -0.6454 3 C 4.3089 -0.2296 -0.0469 C.ar 1 UNL1111111 0.5734 4 N 3.9709 1.0563 -0.3941 N.ar 1 UNL1111111 -0.5995 5 C 2.6789 1.4124 -0.2525 C.ar 1 UNL1111111 0.3572 6 C 1.7093 0.5278 0.2502 C.ar 1 UNL1111111 -0.4056 7 N 1.3148 -1.7487 1.0911 N.pl3 1 UNL1111111 -0.5752 8 N 5.6220 -0.5871 -0.1873 N.pl3 1 UNL1111111 -0.5912 9 C 2.3494 2.8143 -0.6829 C.3 1 UNL1111111 -0.2716 10 C 1.5989 2.7805 -2.0149 C.3 1 UNL1111111 -0.4221 11 C 0.0204 1.8735 1.4673 C.ar 1 UNL1111111 -0.1795 12 C -1.2858 2.2928 1.6482 C.ar 1 UNL1111111 -0.1350 13 C -2.3298 1.7778 0.8541 C.ar 1 UNL1111111 -0.0224 14 C -2.0175 0.8019 -0.1319 C.ar 1 UNL1111111 0.1573 15 C -0.6850 0.4130 -0.3343 C.ar 1 UNL1111111 -0.2691 16 C 0.3287 0.9436 0.4608 C.ar 1 UNL1111111 0.0874 17 C -3.6775 2.2008 1.0285 C.ar 1 UNL1111111 -0.2262 18 C -4.6750 1.6291 0.2448 C.ar 1 UNL1111111 -0.1512 19 C -4.3671 0.6421 -0.6795 C.ar 1 UNL1111111 -0.0885 20 N -3.0525 0.2593 -0.9231 N.ar 1 UNL1111111 -0.3038 21 C -2.8423 -1.0754 -1.5116 C.3 1 UNL1111111 -0.0854 22 C -2.6777 -2.1519 -0.4233 C.3 1 UNL1111111 -0.3384 23 C -1.6351 -3.2044 -0.8016 C.3 1 UNL1111111 -0.0342 24 O -0.9997 -3.5015 0.4399 O.3 1 UNL1111111 -0.4009 25 C -0.1937 -4.6617 0.3895 C.3 1 UNL1111111 -0.2008 26 H 1.6798 -2.6706 1.2474 H 1 UNL1111111 0.3097 27 H 0.3174 -1.6829 0.9906 H 1 UNL1111111 0.3269 28 H 6.2863 0.0785 -0.5248 H 1 UNL1111111 0.3237 29 H 5.9223 -1.5062 0.0582 H 1 UNL1111111 0.3208 30 H 3.2786 3.4171 -0.7840 H 1 UNL1111111 0.1670 31 H 1.7375 3.3193 0.0931 H 1 UNL1111111 0.1627 32 H 2.2004 2.3057 -2.7991 H 1 UNL1111111 0.1484 33 H 0.6583 2.2187 -1.9294 H 1 UNL1111111 0.1579 34 H 1.3497 3.7925 -2.3513 H 1 UNL1111111 0.1451 35 H 0.8172 2.2550 2.1034 H 1 UNL1111111 0.1633 36 H -1.5235 3.0261 2.4172 H 1 UNL1111111 0.1551 37 H -0.4230 -0.2928 -1.1180 H 1 UNL1111111 0.1633 38 H -3.9117 2.9557 1.7671 H 1 UNL1111111 0.1547 39 H -5.7091 1.9480 0.3596 H 1 UNL1111111 0.1540 40 H -5.1325 0.1588 -1.2798 H 1 UNL1111111 0.1555 41 H -3.6986 -1.3215 -2.1778 H 1 UNL1111111 0.1464 42 H -1.9495 -1.0269 -2.1783 H 1 UNL1111111 0.1540 43 H -2.3704 -1.6818 0.5416 H 1 UNL1111111 0.1851 44 H -3.6484 -2.6252 -0.1924 H 1 UNL1111111 0.1542 45 H -2.0943 -4.1116 -1.2265 H 1 UNL1111111 0.1178 46 H -0.8669 -2.8238 -1.4983 H 1 UNL1111111 0.1223 47 H -0.7961 -5.5483 0.1673 H 1 UNL1111111 0.1230 48 H 0.6157 -4.5500 -0.3392 H 1 UNL1111111 0.1252 49 H 0.2078 -4.7325 1.4091 H 1 UNL1111111 0.1460 @BOND 1 1 2 ar 2 1 6 ar 3 1 7 1 4 2 3 ar 5 3 4 ar 6 3 8 1 7 4 5 ar 8 5 6 ar 9 5 9 1 10 6 16 1 11 7 26 1 12 7 27 1 13 8 28 1 14 8 29 1 15 9 10 1 16 9 30 1 17 9 31 1 18 10 32 1 19 10 33 1 20 10 34 1 21 11 12 ar 22 11 16 ar 23 11 35 1 24 12 13 ar 25 12 36 1 26 13 14 ar 27 13 17 ar 28 14 15 ar 29 14 20 ar 30 15 16 ar 31 15 37 1 32 17 18 ar 33 17 38 1 34 18 19 ar 35 18 39 1 36 19 20 ar 37 19 40 1 38 20 21 1 39 21 22 1 40 21 41 1 41 21 42 1 42 22 23 1 43 22 43 1 44 22 44 1 45 23 24 1 46 23 45 1 47 23 46 1 48 24 25 1 49 25 47 1 50 25 48 1 51 25 49 1