@MOLECULE 1-brom-3,3-dimethylbutan-2-on 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 BR -2.0588 0.0293 0.0075 Br 1 UNL111111111 -0.0574 2 O 0.4765 -1.4864 -0.0244 O.2 1 UNL111111111 -0.4026 3 C 2.2466 0.1217 0.0070 C.3 1 UNL111111111 0.0190 4 C 2.4917 0.9642 1.2632 C.3 1 UNL111111111 -0.4584 5 C 3.1322 -1.1283 0.0429 C.3 1 UNL111111111 -0.4459 6 C 2.5450 0.9326 -1.2580 C.3 1 UNL111111111 -0.4586 7 C 0.7809 -0.3247 -0.0216 C.2 1 UNL111111111 0.4300 8 C -0.2601 0.7664 -0.0510 C.3 1 UNL111111111 -0.3696 9 H 3.5601 1.1896 1.3770 H 1 UNL111111111 0.1586 10 H 1.9672 1.9242 1.2322 H 1 UNL111111111 0.1442 11 H 2.1787 0.4340 2.1711 H 1 UNL111111111 0.1551 12 H 2.9563 -1.7681 -0.8320 H 1 UNL111111111 0.1597 13 H 2.9180 -1.7448 0.9258 H 1 UNL111111111 0.1595 14 H 4.1953 -0.8708 0.0627 H 1 UNL111111111 0.1458 15 H 2.0086 1.8865 -1.2794 H 1 UNL111111111 0.1442 16 H 3.6153 1.1668 -1.3265 H 1 UNL111111111 0.1586 17 H 2.2827 0.3749 -2.1656 H 1 UNL111111111 0.1550 18 H -0.1638 1.4439 0.8131 H 1 UNL111111111 0.1810 19 H -0.1873 1.3646 -0.9743 H 1 UNL111111111 0.1817 @BOND 1 1 8 1 2 2 7 2 3 3 4 1 4 3 5 1 5 3 6 1 6 3 7 1 7 4 9 1 8 4 10 1 9 4 11 1 10 5 12 1 11 5 13 1 12 5 14 1 13 6 15 1 14 6 16 1 15 6 17 1 16 7 8 1 17 8 18 1 18 8 19 1