@MOLECULE o-[(2r)-2,3-bis(pentanoyloxy)propyl] o-[2-(trimethylammonio)ethyl] phosphorodithioate 28 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.4024 1.1629 -0.5704 S.3 1 UNL1 -0.2488 2 S 1.7660 -0.6302 -2.8645 S.3 1 UNL1 -0.0402 3 P 1.3339 0.1188 -1.1692 P.3 1 UNL1 0.1149 4 O 2.4483 1.0237 -0.3452 O.3 1 UNL1 -0.1731 5 O 1.4112 -1.1796 -0.0444 O.3 1 UNL1 -0.4223 6 O -1.4421 -0.3516 2.5433 O.2 1 UNL1 -0.3997 7 O 1.2321 0.9140 2.4515 O.2 2 UNL2 -0.5224 8 O -6.2380 -5.3420 -0.2965 O.3 2 UNL2 -0.1777 9 O -7.1791 5.0348 0.1455 O.3 1 UNL1 -0.2484 10 N 6.2478 0.6638 -0.1466 N.pl3 1 UNL1 -0.1283 11 C 4.9355 0.7630 -0.2787 C.1 1 UNL1 -0.1987 12 C 7.0166 -0.0364 0.8465 C.2 1 UNL1 -0.7821 13 C 7.4950 0.8376 -0.4261 C.3 1 UNL1 0.4583 14 C 7.3216 -0.7386 1.8613 C.2 1 UNL1 0.3192 15 C 3.7202 0.8837 -0.3245 C.1 1 UNL1 0.1754 16 C -0.5365 -0.8093 2.0285 C.2 1 UNL1 0.4187 17 C 1.2720 -1.8625 0.8975 C.3 1 UNL1 0.6784 18 C 1.4285 1.9505 2.0024 C.2 2 UNL2 0.5234 19 C -3.9943 -4.4182 0.0235 C.1 2 UNL2 -0.6765 20 C -2.8387 -3.9354 0.1819 C.3 2 UNL2 0.6552 21 C -3.9668 3.2056 -0.2224 C.1 1 UNL1 0.6095 22 C -5.1823 -4.9066 -0.1440 C.1 2 UNL2 0.6612 23 C -5.0632 3.8377 -0.0992 C.1 1 UNL1 -0.6805 24 C -1.6539 -3.4336 0.3433 C.1 2 UNL2 -0.7092 25 C -2.8633 2.5649 -0.3419 C.1 1 UNL1 -0.6241 26 C -6.1758 4.4691 0.0308 C.1 1 UNL1 0.6408 27 C -0.5047 -2.9309 0.4821 C.1 2 UNL2 0.3314 28 C -1.7648 1.9248 -0.4399 C.1 1 UNL1 0.4457 @BOND 1 2 3 1 2 3 1 1 3 3 4 1 4 3 5 1 5 1 28 3 6 28 25 1 7 13 10 1 8 13 12 1 9 4 15 1 10 25 21 3 11 15 11 3 12 8 22 1 13 11 10 1 14 21 23 1 15 10 12 1 16 22 19 3 17 23 26 3 18 5 17 1 19 19 20 1 20 26 9 1 21 20 24 1 22 24 27 3 23 12 14 2 24 18 7 2 25 16 6 2