@MOLECULE (E,3S,6R)-3,6-dimethylnon-4-ene 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7134 -0.4552 -0.3795 C.3 1 UNL11111111 -0.7301 2 C 3.4088 -0.5027 0.4145 C.3 1 UNL11111111 -0.3214 3 C 2.3421 0.4380 -0.1849 C.3 1 UNL11111111 0.1347 4 H 2.3309 0.3019 -1.2943 H 1 UNL11111111 0.1513 5 C 2.6543 1.9084 0.1255 C.3 1 UNL11111111 -0.8918 6 C 1.0030 0.0899 0.3980 C.2 1 UNL11111111 -0.3366 7 C -0.0287 -0.3126 -0.3470 C.2 1 UNL11111111 -0.2905 8 C -1.3655 -0.6656 0.2389 C.3 1 UNL11111111 0.1054 9 H -1.3553 -0.5182 1.3469 H 1 UNL11111111 0.1522 10 C -1.6600 -2.1426 -0.0575 C.3 1 UNL11111111 -0.9285 11 C -2.4380 0.2596 -0.3714 C.3 1 UNL11111111 -0.5437 12 C -3.7580 0.1864 0.4062 C.3 1 UNL11111111 -0.0948 13 C -4.7974 1.1316 -0.1974 C.3 1 UNL11111111 -0.8078 14 H 5.4660 -1.1220 0.0556 H 1 UNL11111111 0.2170 15 H 4.5612 -0.7639 -1.4197 H 1 UNL11111111 0.2157 16 H 5.1385 0.5545 -0.3938 H 1 UNL11111111 0.2254 17 H 3.0186 -1.5391 0.4271 H 1 UNL11111111 0.1692 18 H 3.5954 -0.2380 1.4715 H 1 UNL11111111 0.1803 19 H 1.8637 2.5653 -0.2544 H 1 UNL11111111 0.2499 20 H 2.7403 2.0832 1.2031 H 1 UNL11111111 0.2654 21 H 3.5966 2.2196 -0.3367 H 1 UNL11111111 0.2507 22 H 0.9353 0.1929 1.4787 H 1 UNL11111111 0.2154 23 H 0.0377 -0.4148 -1.4276 H 1 UNL11111111 0.2054 24 H -1.7400 -2.3287 -1.1337 H 1 UNL11111111 0.2817 25 H -0.8625 -2.7862 0.3312 H 1 UNL11111111 0.2662 26 H -2.5996 -2.4618 0.4042 H 1 UNL11111111 0.2496 27 H -2.0650 1.3020 -0.3734 H 1 UNL11111111 0.2153 28 H -2.6059 -0.0021 -1.4315 H 1 UNL11111111 0.2309 29 H -4.1445 -0.8502 0.4020 H 1 UNL11111111 0.1426 30 H -3.5870 0.4423 1.4687 H 1 UNL11111111 0.1277 31 H -4.4509 2.1709 -0.1809 H 1 UNL11111111 0.2382 32 H -5.0154 0.8732 -1.2395 H 1 UNL11111111 0.2338 33 H -5.7413 1.0900 0.3568 H 1 UNL11111111 0.2211 @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 8 10 1 10 8 11 1 11 11 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 5 21 1 21 6 22 1 22 7 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 13 33 1