@MOLECULE (E)-6,6-dimethylhept-3-ene 27 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6999 0.9090 0.0389 C.3 1 UNL11111111 -0.4306 2 C -3.0160 -0.4483 0.2244 C.3 1 UNL11111111 -0.2572 3 C -1.7021 -0.4723 -0.4894 C.2 1 UNL11111111 -0.1719 4 C -0.5638 -0.8418 0.1038 C.2 1 UNL11111111 -0.1596 5 C 0.7514 -0.8648 -0.6033 C.3 1 UNL11111111 -0.3095 6 C 1.7702 0.1249 0.0181 C.3 1 UNL11111111 0.1401 7 C 2.0855 -0.2672 1.4696 C.3 1 UNL11111111 -0.4662 8 C 3.0654 0.0675 -0.8120 C.3 1 UNL11111111 -0.4704 9 C 1.2068 1.5527 -0.0211 C.3 1 UNL11111111 -0.4663 10 H -3.9403 1.0953 -1.0138 H 1 UNL11111111 0.1423 11 H -4.6330 0.9651 0.6089 H 1 UNL11111111 0.1396 12 H -3.0535 1.7267 0.3790 H 1 UNL11111111 0.1462 13 H -2.8949 -0.6632 1.3049 H 1 UNL11111111 0.1394 14 H -3.6672 -1.2579 -0.1669 H 1 UNL11111111 0.1435 15 H -1.7411 -0.1619 -1.5310 H 1 UNL11111111 0.1438 16 H -0.5292 -1.1502 1.1468 H 1 UNL11111111 0.1428 17 H 1.1694 -1.8920 -0.5722 H 1 UNL11111111 0.1469 18 H 0.6305 -0.6288 -1.6789 H 1 UNL11111111 0.1439 19 H 2.4052 -1.3115 1.5403 H 1 UNL11111111 0.1433 20 H 2.8867 0.3541 1.8831 H 1 UNL11111111 0.1443 21 H 1.2103 -0.1425 2.1159 H 1 UNL11111111 0.1461 22 H 2.8862 0.3541 -1.8531 H 1 UNL11111111 0.1437 23 H 3.8226 0.7490 -0.4108 H 1 UNL11111111 0.1453 24 H 3.4963 -0.9383 -0.8121 H 1 UNL11111111 0.1430 25 H 0.2618 1.6207 0.5305 H 1 UNL11111111 0.1509 26 H 1.9047 2.2686 0.4232 H 1 UNL11111111 0.1430 27 H 1.0050 1.8752 -1.0473 H 1 UNL11111111 0.1438 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 6 9 1 9 1 10 1 10 1 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 7 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 8 24 1 24 9 25 1 25 9 26 1 26 9 27 1