@MOLECULE (3e)-3-decen-1-yl sulfate 15 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -9.1287 -1.1420 -0.1258 C.1 1 UNL1 0.4285 2 C -7.8829 -0.8240 -0.0717 C.1 1 UNL1 -0.7047 3 C -6.6401 -0.5078 -0.0232 C.1 1 UNL1 0.4203 4 C -5.3999 -0.1898 0.0080 C.1 1 UNL1 -0.2974 5 C -4.1665 0.1424 0.0163 C.1 1 UNL1 0.1041 6 C -2.9280 0.4817 0.0218 C.1 1 UNL1 0.0631 7 C -1.7008 0.8277 0.0351 C.1 1 UNL1 -0.2344 8 C -0.4577 1.1620 0.0536 C.1 1 UNL1 0.3728 9 C 0.7566 1.5290 0.0850 C.1 1 UNL1 -0.5428 10 C 1.9977 1.8877 0.1188 C.1 1 UNL1 0.6278 11 O 3.0849 2.2835 0.1460 O.3 1 UNL1 -0.2377 12 S 4.7198 -0.9627 -0.0466 S.3 2 UNL2 2.4002 13 O 3.4973 -0.3625 0.3786 O.2 2 UNL2 -0.8259 14 O 5.3250 -0.5384 -1.2613 O.2 2 UNL2 -0.7882 15 O 5.3233 -1.9810 0.7416 O.2 2 UNL2 -0.7857 @BOND 1 14 12 2 2 1 2 3 3 2 3 1 4 12 13 2 5 12 15 2 6 3 4 3 7 4 5 1 8 5 6 3 9 6 7 1 10 7 8 3 11 8 9 1 12 9 10 3 13 10 11 1