@MOLECULE (1s,4s)-4-isopropenyl-1-methyl-2-cyclohexen-1-yl hydroperoxide 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6716 0.1104 0.7306 O.3 1 UNL1111111111 -0.1578 2 O 3.5769 -0.7081 -0.0080 O.3 1 UNL1111111111 -0.3089 3 C 1.4856 0.2463 -0.0634 C.3 1 UNL1111111111 0.2232 4 C 0.8716 -1.1416 -0.3057 C.3 1 UNL1111111111 -0.3152 5 C -0.6042 -1.0008 -0.6798 C.3 1 UNL1111111111 -0.2616 6 C -1.3914 -0.3330 0.4665 C.3 1 UNL1111111111 -0.1425 7 C 0.6198 1.1131 0.8116 C.2 1 UNL1111111111 -0.2208 8 C -0.6754 0.8665 1.0158 C.2 1 UNL1111111111 -0.1232 9 C 1.8262 0.9721 -1.3652 C.3 1 UNL1111111111 -0.4771 10 C -2.7673 0.0304 -0.0369 C.2 1 UNL1111111111 0.0591 11 C -3.8380 -0.9621 0.2738 C.3 1 UNL1111111111 -0.4628 12 C -3.0054 1.1488 -0.7252 C.2 1 UNL1111111111 -0.3780 13 H 0.9817 -1.7568 0.6073 H 1 UNL1111111111 0.1487 14 H 1.4288 -1.6724 -1.0991 H 1 UNL1111111111 0.1530 15 H -0.7067 -0.4009 -1.6050 H 1 UNL1111111111 0.1500 16 H -1.0405 -1.9890 -0.9110 H 1 UNL1111111111 0.1367 17 H -1.4789 -1.0712 1.3101 H 1 UNL1111111111 0.1560 18 H 1.1280 1.9700 1.2489 H 1 UNL1111111111 0.1604 19 H -1.2950 1.5261 1.6240 H 1 UNL1111111111 0.1502 20 H 2.4880 0.3627 -1.9931 H 1 UNL1111111111 0.1620 21 H 0.9266 1.2067 -1.9424 H 1 UNL1111111111 0.1521 22 H 2.3547 1.9116 -1.1621 H 1 UNL1111111111 0.1586 23 H -3.5506 -1.9763 -0.0377 H 1 UNL1111111111 0.1560 24 H -4.0456 -0.9963 1.3532 H 1 UNL1111111111 0.1581 25 H -4.7869 -0.7285 -0.2277 H 1 UNL1111111111 0.1559 26 H -3.9740 1.4241 -1.1062 H 1 UNL1111111111 0.1479 27 H -2.2443 1.8760 -0.9598 H 1 UNL1111111111 0.1529 28 H 3.7468 -1.3944 0.6802 H 1 UNL1111111111 0.2670 @BOND 1 1 2 1 2 1 3 1 3 2 28 1 4 3 4 1 5 3 7 1 6 3 9 1 7 4 5 1 8 4 13 1 9 4 14 1 10 5 6 1 11 5 15 1 12 5 16 1 13 6 8 1 14 6 10 1 15 6 17 1 16 7 8 2 17 7 18 1 18 8 19 1 19 9 20 1 20 9 21 1 21 9 22 1 22 10 11 1 23 10 12 2 24 11 23 1 25 11 24 1 26 11 25 1 27 12 26 1 28 12 27 1