@MOLECULE (E,5S)-2,5-dimethylhept-3-ene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.6801 0.9016 0.3737 C.3 1 UNL11111111 -0.4369 2 C 2.3535 0.7978 -0.3773 C.3 1 UNL11111111 -0.2585 3 C 1.4523 -0.3155 0.1965 C.3 1 UNL11111111 -0.0895 4 H 1.3998 -0.1941 1.3063 H 1 UNL11111111 0.1374 5 C 2.0086 -1.7115 -0.1189 C.3 1 UNL11111111 -0.4439 6 C 0.0838 -0.1967 -0.4092 C.2 1 UNL11111111 -0.1861 7 C -1.0196 -0.0022 0.3162 C.2 1 UNL11111111 -0.1764 8 C -2.3854 0.0899 -0.2999 C.3 1 UNL11111111 -0.0688 9 C -3.2709 -1.0315 0.2618 C.3 1 UNL11111111 -0.4479 10 C -2.9933 1.4655 0.0061 C.3 1 UNL11111111 -0.4472 11 H 4.2887 1.7269 -0.0123 H 1 UNL11111111 0.1392 12 H 3.5231 1.0799 1.4431 H 1 UNL11111111 0.1420 13 H 4.2711 -0.0157 0.2755 H 1 UNL11111111 0.1425 14 H 1.8183 1.7662 -0.3217 H 1 UNL11111111 0.1376 15 H 2.5386 0.6165 -1.4520 H 1 UNL11111111 0.1361 16 H 2.9710 -1.8758 0.3761 H 1 UNL11111111 0.1431 17 H 1.3207 -2.4929 0.2235 H 1 UNL11111111 0.1448 18 H 2.1596 -1.8522 -1.1942 H 1 UNL11111111 0.1440 19 H 0.0562 -0.2927 -1.4925 H 1 UNL11111111 0.1444 20 H -0.9973 0.0964 1.3986 H 1 UNL11111111 0.1448 21 H -2.3205 -0.0308 -1.4103 H 1 UNL11111111 0.1341 22 H -3.3996 -0.9387 1.3454 H 1 UNL11111111 0.1450 23 H -4.2665 -1.0142 -0.1927 H 1 UNL11111111 0.1423 24 H -2.8303 -2.0152 0.0649 H 1 UNL11111111 0.1454 25 H -2.3585 2.2706 -0.3805 H 1 UNL11111111 0.1456 26 H -3.9825 1.5709 -0.4511 H 1 UNL11111111 0.1419 27 H -3.1076 1.6244 1.0834 H 1 UNL11111111 0.1449 @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 1 11 1 11 1 12 1 12 1 13 1 13 2 14 1 14 2 15 1 15 5 16 1 16 5 17 1 17 5 18 1 18 6 19 1 19 7 20 1 20 8 21 1 21 9 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 10 27 1