@MOLECULE allyl bromide 9 8 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.7420 -0.9168 0.1975 C.3 1 UNL11111111 -0.2390 2 C 1.8368 -0.1655 -0.4608 C.2 1 UNL11111111 -0.1414 3 C 2.7654 0.5030 0.2241 C.2 1 UNL11111111 -0.2887 4 H 1.8333 -0.1909 -1.5523 H 1 UNL11111111 0.1556 5 BR -0.9251 0.1065 -0.0006 Br 1 UNL11111111 -0.1129 6 H 0.5585 -1.9007 -0.2662 H 1 UNL11111111 0.1644 7 H 0.8886 -1.0630 1.2802 H 1 UNL11111111 0.1640 8 H 3.5681 1.0520 -0.2469 H 1 UNL11111111 0.1497 9 H 2.8010 0.5599 1.3017 H 1 UNL11111111 0.1482 @BOND 1 4 2 1 2 2 1 1 3 2 3 2 4 6 1 1 5 8 3 1 6 5 1 1 7 1 7 1 8 3 9 1