@MOLECULE acetyl hydrogen sulfate 12 11 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8884 0.9548 -0.7535 O.2 1 UNL1111111111 -0.8072 2 O 0.8947 -1.3356 -0.6523 O.3 1 UNL1111111111 -0.8145 3 O 1.2506 -0.0398 1.4574 O.2 1 UNL1111111111 -0.8502 4 C -2.8505 0.8779 -0.0136 C.3 1 UNL1111111111 -0.5054 5 C -1.6695 -0.0207 -0.0204 C.2 1 UNL1111111111 0.7573 6 O -1.6561 -1.2282 0.0398 O.2 1 UNL1111111111 -0.5609 7 O -0.5282 0.6773 -0.1392 O.3 1 UNL1111111111 -0.7835 8 S 1.0680 0.1156 0.0523 S.O2 1 UNL1111111111 2.5654 9 H 0.0604 -1.8253 -0.4385 H 1 UNL1111111111 0.4200 10 H -3.6340 0.4969 0.6625 H 1 UNL1111111111 0.1896 11 H -2.5958 1.9059 0.2987 H 1 UNL1111111111 0.1970 12 H -3.2930 0.9495 -1.0221 H 1 UNL1111111111 0.1925 @BOND 1 1 8 2 2 2 8 1 3 2 9 1 4 3 8 2 5 4 5 1 6 4 10 1 7 4 11 1 8 4 12 1 9 5 6 2 10 5 7 1 11 7 8 1