@MOLECULE methyl 2-methylpropyl sulfoxide 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3911 -1.0687 -0.3946 C.3 1 UNL11111 -0.6757 2 S 1.1910 0.0301 0.4395 S.O 1 UNL11111 1.0994 3 O 1.3622 1.3659 -0.1816 O.2 1 UNL11111 -0.8014 4 C -0.3361 -0.7016 -0.2849 C.3 1 UNL11111 -0.5222 5 C -1.6026 -0.0671 0.3050 C.3 1 UNL11111 -0.0319 6 C -1.8592 1.3199 -0.2928 C.3 1 UNL11111 -0.4663 7 C -2.8058 -0.9800 0.0128 C.3 1 UNL11111 -0.4589 8 H 3.4063 -0.7001 -0.2088 H 1 UNL11111 0.1791 9 H 2.3224 -2.0859 -0.0087 H 1 UNL11111 0.1634 10 H 2.2639 -1.0952 -1.4795 H 1 UNL11111 0.1708 11 H -0.3386 -0.5811 -1.3820 H 1 UNL11111 0.1677 12 H -0.3247 -1.7861 -0.0913 H 1 UNL11111 0.1544 13 H -1.5042 0.0299 1.4143 H 1 UNL11111 0.1297 14 H -2.7195 1.8051 0.1780 H 1 UNL11111 0.1403 15 H -0.9950 1.9899 -0.1623 H 1 UNL11111 0.1770 16 H -2.0536 1.2679 -1.3693 H 1 UNL11111 0.1462 17 H -2.6932 -1.9607 0.4838 H 1 UNL11111 0.1366 18 H -3.7343 -0.5378 0.3901 H 1 UNL11111 0.1451 19 H -2.9356 -1.1380 -1.0633 H 1 UNL11111 0.1465 @BOND 1 10 1 1 2 11 4 1 3 16 6 1 4 19 7 1 5 1 8 1 6 1 9 1 7 1 2 1 8 4 12 1 9 4 5 1 10 4 2 1 11 6 15 1 12 6 14 1 13 6 5 1 14 3 2 2 15 7 5 1 16 7 18 1 17 7 17 1 18 5 13 1