@MOLECULE 4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8403 0.5811 -1.0714 O.2 1 UNL1111111111 -0.4732 2 C 0.9707 -1.0384 -0.7207 C.3 1 UNL1111111111 -0.0935 3 C 0.2517 0.0436 0.1163 C.3 1 UNL1111111111 -0.1488 4 C 2.4277 -1.1964 -0.2226 C.3 1 UNL1111111111 -0.0912 5 C 0.9434 1.4065 -0.0966 C.3 1 UNL1111111111 -0.2899 6 C 2.4338 1.3016 -0.0027 C.2 1 UNL1111111111 0.0297 7 C 3.0932 0.1405 -0.0807 C.2 1 UNL1111111111 -0.2327 8 C 0.2079 -2.3637 -0.6830 C.3 1 UNL1111111111 -0.4555 9 C 2.5333 -1.9287 1.1237 C.3 1 UNL1111111111 -0.4428 10 C -1.1775 0.1741 -0.3052 C.2 1 UNL1111111111 -0.0184 11 C 3.1431 2.6052 0.1658 C.3 1 UNL1111111111 -0.4576 12 C -2.2040 0.1181 0.5528 C.2 1 UNL1111111111 -0.3588 13 C -3.5885 0.2738 0.0707 C.2 1 UNL1111111111 0.5041 14 C -4.6828 0.0308 1.0703 C.3 1 UNL1111111111 -0.5486 15 H 1.0177 -0.6876 -1.7824 H 1 UNL1111111111 0.1393 16 H 0.3277 -0.2336 1.1959 H 1 UNL1111111111 0.1530 17 H 2.9809 -1.7960 -0.9908 H 1 UNL1111111111 0.1378 18 H 0.5557 2.1349 0.6440 H 1 UNL1111111111 0.1519 19 H 0.6738 1.8212 -1.0921 H 1 UNL1111111111 0.1571 20 H 4.1774 0.0957 -0.0201 H 1 UNL1111111111 0.1459 21 H 0.7772 -3.1642 -1.1684 H 1 UNL1111111111 0.1464 22 H -0.0052 -2.6827 0.3430 H 1 UNL1111111111 0.1479 23 H -0.7544 -2.2844 -1.2045 H 1 UNL1111111111 0.1495 24 H 3.5734 -1.9703 1.4665 H 1 UNL1111111111 0.1438 25 H 1.9549 -1.4199 1.9022 H 1 UNL1111111111 0.1456 26 H 2.1684 -2.9580 1.0512 H 1 UNL1111111111 0.1444 27 H -1.3418 0.3315 -1.3776 H 1 UNL1111111111 0.1647 28 H 4.2331 2.5075 0.0759 H 1 UNL1111111111 0.1530 29 H 2.9401 3.0386 1.1559 H 1 UNL1111111111 0.1567 30 H 2.8231 3.3399 -0.5862 H 1 UNL1111111111 0.1563 31 H -2.0746 -0.0407 1.6184 H 1 UNL1111111111 0.1638 32 H -5.6754 0.1311 0.6065 H 1 UNL1111111111 0.1778 33 H -4.6329 0.7497 1.8980 H 1 UNL1111111111 0.1714 34 H -4.6181 -0.9777 1.4981 H 1 UNL1111111111 0.1711 @BOND 1 1 13 2 2 2 3 1 3 2 4 1 4 2 8 1 5 2 15 1 6 3 5 1 7 3 10 1 8 3 16 1 9 4 7 1 10 4 9 1 11 4 17 1 12 5 6 1 13 5 18 1 14 5 19 1 15 6 7 2 16 6 11 1 17 7 20 1 18 8 21 1 19 8 22 1 20 8 23 1 21 9 24 1 22 9 25 1 23 9 26 1 24 10 12 2 25 10 27 1 26 11 28 1 27 11 29 1 28 11 30 1 29 12 13 1 30 12 31 1 31 13 14 1 32 14 32 1 33 14 33 1 34 14 34 1