@MOLECULE (2r)-3-(dodecanoyloxy)-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate 29 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.1259 0.5710 -0.3286 P.3 1 UNL1 0.3860 2 O -0.6134 -0.3000 -0.5170 O.3 1 UNL1 -0.3153 3 C -0.7955 3.9531 0.1344 C.1 2 UNL2 0.6672 4 O -2.3213 0.4055 1.0937 O.3 1 UNL1 -0.2568 5 N -5.7490 -5.8941 0.5475 N.1 1 UNL1 -0.4327 6 O -2.9628 -0.4472 -1.2860 O.3 1 UNL1 -0.1239 7 C 0.4295 -0.7640 -0.6245 C.3 1 UNL1 0.6134 8 O -1.7546 4.5924 0.0810 O.3 2 UNL2 -0.2002 9 O -1.7678 2.9669 2.2252 O.2 1 UNL1 -0.5225 10 O -1.8900 1.7033 -1.2014 O.2 1 UNL1 -0.2406 11 C -3.8908 3.3699 -1.6688 C.2 2 UNL2 0.4469 12 C -3.4776 -1.5253 -0.7838 C.1 1 UNL1 0.1916 13 C -2.3776 2.2061 2.8265 C.2 1 UNL1 0.5225 14 C -4.0090 -2.5722 -0.4494 C.1 1 UNL1 -0.2029 15 O -4.6854 3.0747 -0.9053 O.2 2 UNL2 -0.4492 16 C -5.1602 -4.7698 0.2125 C.1 1 UNL1 0.0446 17 C -6.2872 -6.9073 0.8491 C.1 1 UNL1 0.3267 18 C -4.6132 -3.7244 -0.1036 C.1 1 UNL1 0.0130 19 C 0.3180 3.2837 0.1570 C.1 2 UNL2 -0.5465 20 C 1.3580 2.5707 0.1699 C.1 2 UNL2 0.4248 21 C 10.3010 -2.3812 -0.1211 C.1 2 UNL2 -0.7312 22 C 9.1461 -1.8282 -0.0633 C.1 2 UNL2 0.4738 23 C 5.7218 -0.1012 0.0863 C.1 2 UNL2 -0.0896 24 C 6.8565 -0.6937 0.0449 C.1 2 UNL2 0.2129 25 C 7.9970 -1.2699 -0.0098 C.1 2 UNL2 -0.3815 26 C 2.4115 1.8253 0.1475 C.1 2 UNL2 -0.3733 27 C 3.4979 1.1664 0.1433 C.1 2 UNL2 0.1778 28 C 4.6043 0.5145 0.1194 C.1 2 UNL2 -0.0760 29 C 11.4628 -2.9309 -0.1784 C.1 2 UNL2 0.4412 @BOND 1 11 15 2 2 6 12 1 3 6 1 1 4 10 1 2 5 12 14 3 6 7 2 1 7 2 1 1 8 14 18 1 9 1 4 1 10 29 21 3 11 21 22 1 12 18 16 3 13 22 25 3 14 25 24 1 15 24 23 3 16 8 3 1 17 23 28 1 18 28 27 3 19 3 19 3 20 27 26 1 21 26 20 3 22 19 20 1 23 16 5 1 24 5 17 3 25 9 13 2