@MOLECULE 4-aminophenyl 2-(trimethylammonio)ethyl phosphate 37 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -0.0235 -1.5614 -0.0389 P.3 1 UNL1 0.1386 2 O 1.3582 -0.8398 -0.5991 O.3 1 UNL1 -0.3232 3 O -0.8894 -0.1744 -0.3160 O.3 1 UNL1 -0.3330 4 O -0.2586 -2.5317 -1.1120 O.2 1 UNL1 -0.2276 5 O 0.0697 -1.7628 1.4148 O.3 1 UNL1 -0.3449 6 N 4.5301 0.8895 0.0807 N.4 1 UNL1 0.0637 7 N -6.1443 1.5057 0.2676 N.pl3 1 UNL1 -0.6293 8 C 3.4918 -0.0497 -0.5010 C.3 1 UNL1 -0.2465 9 C 4.8170 0.5322 1.5128 C.3 1 UNL1 -0.3471 10 C 5.7927 0.7597 -0.7285 C.3 1 UNL1 -0.3554 11 C 4.0552 2.3134 0.0163 C.3 1 UNL1 -0.3451 12 C 2.0860 0.0783 0.1801 C.3 1 UNL1 0.0023 13 C -2.1902 0.0800 -0.1276 C.ar 1 UNL1 0.3205 14 C -3.2006 -0.7729 0.3482 C.ar 1 UNL1 -0.2382 15 C -2.5157 1.4087 -0.4929 C.ar 1 UNL1 -0.2649 16 C -4.8268 1.0022 0.0789 C.ar 1 UNL1 0.1019 17 C -4.5066 -0.3118 0.4455 C.ar 1 UNL1 -0.1787 18 C -3.8229 1.8584 -0.3928 C.ar 1 UNL1 -0.1901 19 H 3.3608 0.1411 -1.5900 H 1 UNL1 0.1826 20 H 3.8363 -1.1029 -0.4048 H 1 UNL1 0.1841 21 H 5.2641 -0.4756 1.5887 H 1 UNL1 0.1849 22 H 5.4993 1.2532 1.9899 H 1 UNL1 0.1664 23 H 3.8811 0.5067 2.1123 H 1 UNL1 0.2075 24 H 5.6153 1.0515 -1.7812 H 1 UNL1 0.1850 25 H 6.6064 1.3891 -0.3337 H 1 UNL1 0.1702 26 H 6.1489 -0.2868 -0.7365 H 1 UNL1 0.1856 27 H 3.7711 2.5908 -1.0157 H 1 UNL1 0.1882 28 H 3.1567 2.4580 0.6539 H 1 UNL1 0.2030 29 H 4.8325 3.0148 0.3635 H 1 UNL1 0.1649 30 H 2.1460 -0.1713 1.2590 H 1 UNL1 0.1280 31 H 1.6733 1.0979 0.0438 H 1 UNL1 0.1170 32 H -2.9803 -1.7958 0.6467 H 1 UNL1 0.1778 33 H -1.7310 2.0614 -0.8544 H 1 UNL1 0.1484 34 H -5.2808 -0.9767 0.8184 H 1 UNL1 0.1453 35 H -4.0689 2.8766 -0.6734 H 1 UNL1 0.1362 36 H -6.3734 2.3067 -0.2887 H 1 UNL1 0.2594 37 H -6.8732 0.8200 0.2339 H 1 UNL1 0.2625 @BOND 1 24 10 1 2 19 8 1 3 4 1 2 4 27 11 1 5 33 15 1 6 26 10 1 7 10 25 1 8 10 6 1 9 35 18 1 10 2 1 1 11 2 12 1 12 8 20 1 13 8 6 1 14 8 12 1 15 15 18 ar 16 15 13 ar 17 18 16 ar 18 3 13 1 19 3 1 1 20 36 7 1 21 13 14 ar 22 1 5 1 23 11 6 1 24 11 29 1 25 11 28 1 26 31 12 1 27 16 7 1 28 16 17 ar 29 6 9 1 30 12 30 1 31 37 7 1 32 14 17 ar 33 14 32 1 34 17 34 1 35 9 21 1 36 9 22 1 37 9 23 1