@MOLECULE (3e)-2-methyl-1,3-pentadiene 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4018 1.3559 -0.0089 C.3 1 UNL111111111 -0.4579 2 C -1.0935 -0.1073 -0.0066 C.2 1 UNL111111111 0.0714 3 C -2.0718 -1.0225 0.0209 C.2 1 UNL111111111 -0.3714 4 C 0.3111 -0.5153 -0.0319 C.2 1 UNL111111111 -0.2167 5 C 1.3520 0.3269 0.0185 C.2 1 UNL111111111 -0.0990 6 C 2.7626 -0.1510 0.0040 C.3 1 UNL111111111 -0.4538 7 H -1.0080 1.8453 0.8933 H 1 UNL111111111 0.1570 8 H -0.9573 1.8559 -0.8811 H 1 UNL111111111 0.1570 9 H -2.4809 1.5578 -0.0388 H 1 UNL111111111 0.1543 10 H -1.8964 -2.0851 0.0255 H 1 UNL111111111 0.1467 11 H -3.1196 -0.7759 0.0418 H 1 UNL111111111 0.1476 12 H 0.4752 -1.5939 -0.0939 H 1 UNL111111111 0.1533 13 H 1.2280 1.4060 0.0842 H 1 UNL111111111 0.1427 14 H 3.0344 -0.6060 0.9692 H 1 UNL111111111 0.1606 15 H 2.9316 -0.9145 -0.7690 H 1 UNL111111111 0.1578 16 H 3.4772 0.6610 -0.1829 H 1 UNL111111111 0.1503 @BOND 1 8 1 1 2 15 6 1 3 16 6 1 4 12 4 1 5 9 1 1 6 4 2 1 7 4 5 2 8 1 2 1 9 1 7 1 10 2 3 2 11 6 5 1 12 6 14 1 13 5 13 1 14 3 10 1 15 3 11 1