@MOLECULE (E)-5,5-dimethylhept-2-ene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.8706 0.2267 -0.3252 C.3 1 UNL11111111 -0.4441 2 C 2.5530 0.3534 0.3580 C.2 1 UNL11111111 -0.1517 3 C 1.5947 -0.5739 0.2695 C.2 1 UNL11111111 -0.1592 4 C 0.2726 -0.4429 0.9534 C.3 1 UNL11111111 -0.3139 5 C -0.8757 -0.0936 -0.0369 C.3 1 UNL11111111 0.1217 6 C -0.5759 1.2502 -0.7142 C.3 1 UNL11111111 -0.4646 7 C -1.0001 -1.1941 -1.0994 C.3 1 UNL11111111 -0.4637 8 C -2.1782 -0.0011 0.7982 C.3 1 UNL11111111 -0.2801 9 C -3.4101 0.3965 -0.0144 C.3 1 UNL11111111 -0.4330 10 H 4.6982 0.2814 0.3965 H 1 UNL11111111 0.1521 11 H 3.9803 -0.7189 -0.8719 H 1 UNL11111111 0.1485 12 H 4.0176 1.0397 -1.0509 H 1 UNL11111111 0.1524 13 H 2.4228 1.2659 0.9364 H 1 UNL11111111 0.1414 14 H 1.7243 -1.4848 -0.3108 H 1 UNL11111111 0.1424 15 H 0.0301 -1.3905 1.4758 H 1 UNL11111111 0.1446 16 H 0.3124 0.3305 1.7457 H 1 UNL11111111 0.1432 17 H 0.4042 1.2333 -1.2058 H 1 UNL11111111 0.1513 18 H -1.3210 1.4889 -1.4795 H 1 UNL11111111 0.1443 19 H -0.5654 2.0699 0.0103 H 1 UNL11111111 0.1425 20 H -1.1888 -2.1711 -0.6444 H 1 UNL11111111 0.1427 21 H -1.8204 -0.9862 -1.7945 H 1 UNL11111111 0.1455 22 H -0.0854 -1.2744 -1.6968 H 1 UNL11111111 0.1464 23 H -2.3628 -0.9752 1.2902 H 1 UNL11111111 0.1341 24 H -2.0327 0.7293 1.6173 H 1 UNL11111111 0.1342 25 H -4.3029 0.4312 0.6200 H 1 UNL11111111 0.1373 26 H -3.2920 1.3870 -0.4677 H 1 UNL11111111 0.1434 27 H -3.6096 -0.3163 -0.8219 H 1 UNL11111111 0.1424 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 3 14 1 14 4 15 1 15 4 16 1 16 6 17 1 17 6 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 7 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1