@MOLECULE (2e,4r)-4-methyl-2-hexene 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.3594 0.3350 -0.1691 C.3 1 UNL11111111 -0.0865 2 C 1.3155 -0.5499 0.6597 C.3 1 UNL11111111 -0.2606 3 C 1.0173 1.6701 -0.5454 C.3 1 UNL11111111 -0.4471 4 C -0.8723 0.6003 0.6454 C.2 1 UNL11111111 -0.1907 5 C 2.4348 -1.1363 -0.1990 C.3 1 UNL11111111 -0.4373 6 C -2.0789 0.0684 0.4298 C.2 1 UNL11111111 -0.1436 7 C -2.4334 -0.8870 -0.6553 C.3 1 UNL11111111 -0.4434 8 H -0.7116 1.2894 1.4750 H 1 UNL11111111 0.1430 9 H -2.9176 0.3244 1.0807 H 1 UNL11111111 0.1388 10 H 0.0999 -0.2072 -1.1117 H 1 UNL11111111 0.1383 11 H 1.7407 0.0344 1.4961 H 1 UNL11111111 0.1369 12 H 0.7369 -1.3698 1.1289 H 1 UNL11111111 0.1384 13 H 0.3062 2.3245 -1.0622 H 1 UNL11111111 0.1447 14 H 1.3796 2.2057 0.3380 H 1 UNL11111111 0.1440 15 H 1.8715 1.5154 -1.2125 H 1 UNL11111111 0.1433 16 H 3.0811 -0.3506 -0.6061 H 1 UNL11111111 0.1433 17 H 3.0672 -1.8126 0.3869 H 1 UNL11111111 0.1405 18 H 2.0358 -1.7073 -1.0445 H 1 UNL11111111 0.1411 19 H -2.8560 -1.8144 -0.2418 H 1 UNL11111111 0.1529 20 H -3.1888 -0.4535 -1.3273 H 1 UNL11111111 0.1536 21 H -1.5754 -1.1769 -1.2767 H 1 UNL11111111 0.1505 @BOND 1 20 7 1 2 21 7 1 3 15 3 1 4 10 1 1 5 13 3 1 6 18 5 1 7 7 19 1 8 7 6 1 9 16 5 1 10 3 1 1 11 3 14 1 12 5 17 1 13 5 2 1 14 1 4 1 15 1 2 1 16 6 4 2 17 6 9 1 18 4 8 1 19 2 12 1 20 2 11 1