@MOLECULE (E,3S)-3,8-dimethylnon-4-ene 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9751 0.5211 0.2749 C.3 1 UNL11111111 -0.7064 2 C 3.6270 0.6202 -0.4375 C.3 1 UNL11111111 -0.3003 3 C 2.5672 -0.2937 0.2132 C.3 1 UNL11111111 0.1089 4 H 2.6026 -0.1460 1.3207 H 1 UNL11111111 0.1606 5 C 2.8393 -1.7730 -0.0922 C.3 1 UNL11111111 -0.8381 6 C 1.2134 0.0758 -0.3206 C.2 1 UNL11111111 -0.3707 7 C 0.2208 0.5088 0.4605 C.2 1 UNL11111111 -0.2276 8 C -1.1294 0.8728 -0.0680 C.3 1 UNL11111111 -0.3460 9 C -2.1952 -0.0541 0.5377 C.3 1 UNL11111111 -0.4436 10 C -3.6050 0.2791 0.0147 C.3 1 UNL11111111 0.2742 11 C -3.7796 -0.1844 -1.4365 C.3 1 UNL11111111 -0.9262 12 C -4.6570 -0.3970 0.9045 C.3 1 UNL11111111 -0.9876 13 H 5.7071 1.2057 -0.1676 H 1 UNL11111111 0.1989 14 H 4.8873 0.7743 1.3372 H 1 UNL11111111 0.2185 15 H 5.3908 -0.4906 0.2097 H 1 UNL11111111 0.2282 16 H 3.2692 1.6680 -0.4137 H 1 UNL11111111 0.1431 17 H 3.7414 0.3646 -1.5069 H 1 UNL11111111 0.1626 18 H 2.8850 -1.9602 -1.1699 H 1 UNL11111111 0.2449 19 H 3.7906 -2.0982 0.3411 H 1 UNL11111111 0.2439 20 H 2.0498 -2.4107 0.3215 H 1 UNL11111111 0.2539 21 H 1.0989 -0.0397 -1.3957 H 1 UNL11111111 0.2314 22 H 0.3353 0.6191 1.5370 H 1 UNL11111111 0.2164 23 H -1.3583 1.9296 0.1799 H 1 UNL11111111 0.1660 24 H -1.1618 0.8146 -1.1737 H 1 UNL11111111 0.1720 25 H -1.9466 -1.1081 0.3142 H 1 UNL11111111 0.2339 26 H -2.1758 0.0310 1.6405 H 1 UNL11111111 0.1960 27 H -3.7556 1.3845 0.0603 H 1 UNL11111111 0.1059 28 H -3.6411 -1.2668 -1.5303 H 1 UNL11111111 0.2842 29 H -4.7808 0.0538 -1.8107 H 1 UNL11111111 0.2455 30 H -3.0561 0.2985 -2.1017 H 1 UNL11111111 0.2325 31 H -4.5895 -0.0477 1.9400 H 1 UNL11111111 0.2648 32 H -5.6712 -0.1836 0.5510 H 1 UNL11111111 0.2739 33 H -4.5340 -1.4852 0.9124 H 1 UNL11111111 0.2865 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1