@MOLECULE (2R)-2-methylpentanoyl bromide 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8517 0.4207 0.0800 C.3 1 UNL11111111 -0.1662 2 H -0.7303 0.9045 -0.9248 H 1 UNL11111111 0.1776 3 C -0.8160 1.4966 1.1668 C.3 1 UNL11111111 -0.4415 4 C -2.1730 -0.3692 0.0952 C.3 1 UNL11111111 -0.2765 5 C -3.3202 0.4515 -0.5059 C.3 1 UNL11111111 -0.2453 6 C -4.6120 -0.3650 -0.5189 C.3 1 UNL11111111 -0.4393 7 C 0.2747 -0.5350 0.3398 C.2 1 UNL11111111 0.4363 8 O 0.2601 -1.5947 0.8631 O.2 1 UNL11111111 -0.3317 9 BR 2.0428 0.0949 -0.2849 Br 1 UNL11111111 -0.2143 10 H 0.0992 2.1017 1.1216 H 1 UNL11111111 0.1624 11 H -1.6610 2.1898 1.0586 H 1 UNL11111111 0.1617 12 H -0.8824 1.0669 2.1748 H 1 UNL11111111 0.1594 13 H -2.0582 -1.3162 -0.4704 H 1 UNL11111111 0.1529 14 H -2.4233 -0.6769 1.1294 H 1 UNL11111111 0.1561 15 H -3.4710 1.3830 0.0723 H 1 UNL11111111 0.1361 16 H -3.0666 0.7705 -1.5351 H 1 UNL11111111 0.1365 17 H -4.5086 -1.2747 -1.1219 H 1 UNL11111111 0.1470 18 H -4.9053 -0.6715 0.4918 H 1 UNL11111111 0.1458 19 H -5.4430 0.2129 -0.9393 H 1 UNL11111111 0.1432 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 7 1 7 7 8 2 8 7 9 1 9 3 10 1 10 3 11 1 11 3 12 1 12 4 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 6 17 1 17 6 18 1 18 6 19 1