@MOLECULE 2-bromobutane 14 13 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.1620 1.1022 0.5881 C.3 1 UNL11111111 -0.4326 2 C -1.7396 0.4370 -0.7198 C.3 1 UNL11111111 -0.2758 3 C -0.6810 -0.6498 -0.5660 C.3 1 UNL11111111 -0.0231 4 C -1.0662 -1.7470 0.4044 C.3 1 UNL11111111 -0.4641 5 BR 1.0359 0.1562 0.0367 Br 1 UNL11111111 -0.1785 6 H -2.9077 1.8855 0.4064 H 1 UNL11111111 0.1441 7 H -1.3170 1.5795 1.0996 H 1 UNL11111111 0.1572 8 H -2.6053 0.3843 1.2868 H 1 UNL11111111 0.1447 9 H -2.6335 -0.0149 -1.2033 H 1 UNL11111111 0.1466 10 H -1.3893 1.2142 -1.4316 H 1 UNL11111111 0.1520 11 H -0.4223 -1.0761 -1.5610 H 1 UNL11111111 0.1471 12 H -1.1958 -1.3768 1.4311 H 1 UNL11111111 0.1655 13 H -0.3165 -2.5491 0.4458 H 1 UNL11111111 0.1601 14 H -2.0186 -2.2103 0.1106 H 1 UNL11111111 0.1568 @BOND 1 6 1 1 2 10 2 1 3 9 2 1 4 1 2 1 5 1 8 1 6 1 7 1 7 2 3 1 8 11 3 1 9 3 4 1 10 3 5 1 11 14 4 1 12 4 12 1 13 4 13 1