@MOLECULE (6s)-6-isopropenyl-3-methyl-2-cyclohexen-1-one 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6141 -2.0809 -0.2200 O.2 1 UNL1111111111 -0.4464 2 C 0.6795 0.2993 -0.3796 C.3 1 UNL1111111111 -0.2406 3 C -0.0949 1.3961 0.3678 C.3 1 UNL1111111111 -0.2546 4 C -1.5572 1.4445 -0.0905 C.3 1 UNL1111111111 -0.3139 5 C -2.1951 0.0916 -0.0247 C.2 1 UNL1111111111 0.1473 6 C -0.0111 -1.0488 -0.2067 C.2 1 UNL1111111111 0.4787 7 C 2.1020 0.2640 0.1107 C.2 1 UNL1111111111 0.0726 8 C -1.4765 -1.0393 -0.0780 C.2 1 UNL1111111111 -0.3758 9 C -3.6796 0.0816 0.0972 C.3 1 UNL1111111111 -0.4747 10 C 3.1190 0.7760 -0.8549 C.3 1 UNL1111111111 -0.4595 11 C 2.4292 -0.1856 1.3238 C.2 1 UNL1111111111 -0.3593 12 H 0.6560 0.5196 -1.4795 H 1 UNL1111111111 0.1682 13 H 0.3923 2.3764 0.2075 H 1 UNL1111111111 0.1449 14 H -0.0461 1.2116 1.4598 H 1 UNL1111111111 0.1530 15 H -1.6200 1.8281 -1.1318 H 1 UNL1111111111 0.1606 16 H -2.1165 2.1772 0.5263 H 1 UNL1111111111 0.1553 17 H -1.9322 -2.0272 -0.0262 H 1 UNL1111111111 0.1813 18 H -4.1551 0.7979 -0.5875 H 1 UNL1111111111 0.1603 19 H -3.9910 0.3530 1.1184 H 1 UNL1111111111 0.1675 20 H -4.1167 -0.9049 -0.1160 H 1 UNL1111111111 0.1651 21 H 3.2360 0.0785 -1.6992 H 1 UNL1111111111 0.1642 22 H 2.8379 1.7537 -1.2670 H 1 UNL1111111111 0.1495 23 H 4.1112 0.8899 -0.3977 H 1 UNL1111111111 0.1558 24 H 3.4386 -0.2172 1.6984 H 1 UNL1111111111 0.1496 25 H 1.7141 -0.5836 2.0257 H 1 UNL1111111111 0.1510 @BOND 1 1 6 2 2 2 3 1 3 2 6 1 4 2 7 1 5 2 12 1 6 3 4 1 7 3 13 1 8 3 14 1 9 4 5 1 10 4 15 1 11 4 16 1 12 5 8 2 13 5 9 1 14 6 8 1 15 7 10 1 16 7 11 2 17 8 17 1 18 9 18 1 19 9 19 1 20 9 20 1 21 10 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1