@MOLECULE (3e)-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-yl bromoacetate 41 41 0 0 0 SMALL GASTEIGER @ATOM 1 BR -3.1588 -1.2785 -0.4427 Br 1 UNL1111111111 -0.0378 2 O -1.8828 1.8514 -0.1857 O.3 1 UNL1111111111 -0.4301 3 O -1.7672 0.9617 1.8839 O.2 1 UNL1111111111 -0.4896 4 C 3.6547 0.3812 -0.0962 C.3 1 UNL1111111111 0.1223 5 C 4.6813 -0.7741 -0.0410 C.3 1 UNL1111111111 -0.2921 6 C 2.2846 -0.0898 0.3347 C.2 1 UNL1111111111 -0.1259 7 C 4.0955 -2.0572 -0.6342 C.3 1 UNL1111111111 -0.2625 8 C 2.9004 -2.5072 0.2134 C.3 1 UNL1111111111 -0.2814 9 C 1.9452 -1.3811 0.4696 C.2 1 UNL1111111111 0.0394 10 C 3.5605 0.9272 -1.5328 C.3 1 UNL1111111111 -0.4606 11 C 4.1437 1.5018 0.8411 C.3 1 UNL1111111111 -0.4650 12 C 1.3111 0.9762 0.6029 C.2 1 UNL1111111111 -0.0786 13 C 0.5837 -1.8181 0.8991 C.3 1 UNL1111111111 -0.4649 14 C 0.4405 1.4006 -0.3171 C.2 1 UNL1111111111 -0.2594 15 C -0.5757 2.4582 -0.0290 C.3 1 UNL1111111111 0.1656 16 C -0.5774 3.5622 -1.0800 C.3 1 UNL1111111111 -0.4698 17 C -2.3226 1.0735 0.8219 C.2 1 UNL1111111111 0.6005 18 C -3.6039 0.4092 0.4163 C.3 1 UNL1111111111 -0.3413 19 H 4.9822 -0.9553 1.0089 H 1 UNL1111111111 0.1416 20 H 5.6029 -0.4854 -0.5757 H 1 UNL1111111111 0.1349 21 H 4.8618 -2.8511 -0.6739 H 1 UNL1111111111 0.1305 22 H 3.7771 -1.8861 -1.6800 H 1 UNL1111111111 0.1406 23 H 3.2564 -2.9073 1.1868 H 1 UNL1111111111 0.1492 24 H 2.3807 -3.3492 -0.2854 H 1 UNL1111111111 0.1454 25 H 3.1947 0.1593 -2.2226 H 1 UNL1111111111 0.1477 26 H 2.8665 1.7730 -1.5890 H 1 UNL1111111111 0.1485 27 H 4.5343 1.2690 -1.8939 H 1 UNL1111111111 0.1417 28 H 5.1731 1.7903 0.6076 H 1 UNL1111111111 0.1431 29 H 3.5233 2.3996 0.7497 H 1 UNL1111111111 0.1478 30 H 4.1129 1.1820 1.8881 H 1 UNL1111111111 0.1481 31 H 1.3443 1.3846 1.6168 H 1 UNL1111111111 0.1569 32 H 0.6273 -2.6328 1.6344 H 1 UNL1111111111 0.1544 33 H 0.0008 -2.1781 0.0394 H 1 UNL1111111111 0.1593 34 H -0.0014 -1.0069 1.3616 H 1 UNL1111111111 0.1710 35 H 0.4004 0.9751 -1.3183 H 1 UNL1111111111 0.1660 36 H -0.5059 2.8669 1.0050 H 1 UNL1111111111 0.1419 37 H 0.4034 4.0493 -1.1341 H 1 UNL1111111111 0.1598 38 H -0.8099 3.1638 -2.0769 H 1 UNL1111111111 0.1640 39 H -1.3294 4.3278 -0.8556 H 1 UNL1111111111 0.1557 40 H -4.1854 1.0100 -0.3051 H 1 UNL1111111111 0.1909 41 H -4.2356 0.1868 1.2949 H 1 UNL1111111111 0.1922 @BOND 1 1 18 1 2 2 15 1 3 2 17 1 4 3 17 2 5 4 5 1 6 4 6 1 7 4 10 1 8 4 11 1 9 5 7 1 10 5 19 1 11 5 20 1 12 6 9 2 13 6 12 1 14 7 8 1 15 7 21 1 16 7 22 1 17 8 9 1 18 8 23 1 19 8 24 1 20 9 13 1 21 10 25 1 22 10 26 1 23 10 27 1 24 11 28 1 25 11 29 1 26 11 30 1 27 12 14 2 28 12 31 1 29 13 32 1 30 13 33 1 31 13 34 1 32 14 15 1 33 14 35 1 34 15 16 1 35 15 36 1 36 16 37 1 37 16 38 1 38 16 39 1 39 17 18 1 40 18 40 1 41 18 41 1