@MOLECULE 2-bromo-3-methylbutane 17 16 0 0 0 SMALL USER_CHARGES @ATOM 1 BR -1.3048 0.1401 -0.0352 Br 1 UNL111111111 -0.1823 2 C 1.5664 0.3103 -0.3245 C.3 1 UNL111111111 -0.0860 3 C 0.5170 -0.5401 0.4049 C.3 1 UNL111111111 -0.0361 4 C 2.9660 -0.2777 -0.0858 C.3 1 UNL111111111 -0.4517 5 C 1.5485 1.7615 0.1701 C.3 1 UNL111111111 -0.4564 6 C 0.5475 -2.0052 0.0164 C.3 1 UNL111111111 -0.4677 7 H 1.3602 0.2983 -1.4234 H 1 UNL111111111 0.1483 8 H 0.5918 -0.4098 1.5037 H 1 UNL111111111 0.1518 9 H 3.7391 0.3668 -0.5214 H 1 UNL111111111 0.1505 10 H 3.1875 -0.3741 0.9823 H 1 UNL111111111 0.1471 11 H 3.0780 -1.2647 -0.5463 H 1 UNL111111111 0.1455 12 H 2.3705 2.3378 -0.2706 H 1 UNL111111111 0.1485 13 H 1.6532 1.8216 1.2586 H 1 UNL111111111 0.1473 14 H 0.6225 2.2817 -0.1013 H 1 UNL111111111 0.1572 15 H -0.2874 -2.5730 0.4512 H 1 UNL111111111 0.1633 16 H 0.5054 -2.1507 -1.0716 H 1 UNL111111111 0.1624 17 H 1.4681 -2.4887 0.3730 H 1 UNL111111111 0.1582 @BOND 1 14 5 1 2 12 5 1 3 5 13 1 4 5 2 1 5 7 2 1 6 1 3 1 7 2 4 1 8 2 3 1 9 9 4 1 10 4 11 1 11 4 10 1 12 3 8 1 13 3 6 1 14 16 6 1 15 6 15 1 16 6 17 1