@MOLECULE (1S,2S)-1-[(E)-3,3-dimethylbut-1-enyl]-2-methyl-cyclopropane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3607 -0.8924 1.1658 C.3 1 UNL11111111 -0.4611 2 C 2.1738 0.0990 0.0077 C.3 1 UNL11111111 0.1201 3 C 2.5920 1.5052 0.4788 C.3 1 UNL11111111 -0.4584 4 C 3.0583 -0.3388 -1.1756 C.3 1 UNL11111111 -0.4593 5 C 0.7523 0.1789 -0.4813 C.2 1 UNL11111111 -0.1821 6 C -0.2907 -0.4674 0.0475 C.2 1 UNL11111111 -0.1626 7 C -1.6543 -0.3110 -0.4882 C.3 1 UNL11111111 -0.1734 8 H -1.6905 0.0286 -1.5304 H 1 UNL11111111 0.1592 9 C -2.7529 -1.2471 -0.0179 C.3 1 UNL11111111 -0.3397 10 C -2.7436 0.1873 0.4591 C.3 1 UNL11111111 -0.1220 11 H -2.4602 0.3800 1.5002 H 1 UNL11111111 0.1532 12 C -3.7726 1.1566 -0.0537 C.3 1 UNL11111111 -0.4351 13 H 1.7710 -0.6004 2.0412 H 1 UNL11111111 0.1457 14 H 2.0578 -1.9047 0.8770 H 1 UNL11111111 0.1469 15 H 3.4091 -0.9395 1.4784 H 1 UNL11111111 0.1445 16 H 3.6347 1.5170 0.8106 H 1 UNL11111111 0.1440 17 H 2.4912 2.2439 -0.3226 H 1 UNL11111111 0.1440 18 H 1.9702 1.8395 1.3164 H 1 UNL11111111 0.1477 19 H 2.7488 -1.3189 -1.5549 H 1 UNL11111111 0.1481 20 H 2.9988 0.3715 -2.0062 H 1 UNL11111111 0.1438 21 H 4.1088 -0.4129 -0.8784 H 1 UNL11111111 0.1440 22 H 0.6257 0.8410 -1.3389 H 1 UNL11111111 0.1446 23 H -0.1965 -1.1315 0.9048 H 1 UNL11111111 0.1497 24 H -3.5077 -1.5781 -0.7237 H 1 UNL11111111 0.1563 25 H -2.5173 -2.0476 0.6759 H 1 UNL11111111 0.1559 26 H -4.6825 1.1285 0.5606 H 1 UNL11111111 0.1488 27 H -3.3892 2.1860 -0.0313 H 1 UNL11111111 0.1505 28 H -4.0723 0.9435 -1.0872 H 1 UNL11111111 0.1470 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 2 6 6 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 6 23 1 24 9 24 1 25 9 25 1 26 12 26 1 27 12 27 1 28 12 28 1