@MOLECULE (3s,4r)-3-hydroxy-4-isopropyl-1-cyclohexene-1-carbaldehyde 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8287 -1.8316 0.9580 O.3 1 UNL1111111111 -0.5412 2 O 4.0544 0.6582 -0.0198 O.2 1 UNL1111111111 -0.4218 3 C -0.9925 0.2706 -0.2868 C.3 1 UNL1111111111 -0.1776 4 C -2.4749 0.3065 0.1484 C.3 1 UNL1111111111 -0.0631 5 C -0.1256 1.1877 0.5902 C.3 1 UNL1111111111 -0.2754 6 C -0.4362 -1.1694 -0.2271 C.3 1 UNL1111111111 0.1368 7 C 1.3147 1.2206 0.0649 C.3 1 UNL1111111111 -0.2714 8 C 1.0655 -1.2269 -0.3183 C.2 1 UNL1111111111 -0.1859 9 C 1.8462 -0.1507 -0.1771 C.2 1 UNL1111111111 -0.1153 10 C -3.3150 -0.6688 -0.6875 C.3 1 UNL1111111111 -0.4573 11 C -3.0534 1.7201 -0.0031 C.3 1 UNL1111111111 -0.4570 12 C 3.3237 -0.2723 -0.2617 C.2 1 UNL1111111111 0.3226 13 H -0.9243 0.6198 -1.3453 H 1 UNL1111111111 0.1481 14 H -2.5407 -0.0003 1.2206 H 1 UNL1111111111 0.1387 15 H -0.5375 2.2144 0.6032 H 1 UNL1111111111 0.1457 16 H -0.1433 0.8454 1.6409 H 1 UNL1111111111 0.1366 17 H -0.9058 -1.8070 -1.0162 H 1 UNL1111111111 0.1483 18 H 1.3681 1.8107 -0.8761 H 1 UNL1111111111 0.1591 19 H 1.9700 1.7696 0.7781 H 1 UNL1111111111 0.1700 20 H 1.4617 -2.2294 -0.4748 H 1 UNL1111111111 0.1576 21 H -3.0460 -1.7104 -0.4698 H 1 UNL1111111111 0.1556 22 H -4.3821 -0.5646 -0.4612 H 1 UNL1111111111 0.1456 23 H -3.1873 -0.4990 -1.7604 H 1 UNL1111111111 0.1405 24 H -4.1272 1.7303 0.2167 H 1 UNL1111111111 0.1463 25 H -2.9246 2.0992 -1.0223 H 1 UNL1111111111 0.1449 26 H -2.5802 2.4311 0.6815 H 1 UNL1111111111 0.1411 27 H -0.5136 -1.3442 1.7465 H 1 UNL1111111111 0.3153 28 H 3.7405 -1.2460 -0.5531 H 1 UNL1111111111 0.1130 @BOND 1 1 6 1 2 1 27 1 3 2 12 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 13 1 8 4 10 1 9 4 11 1 10 4 14 1 11 5 7 1 12 5 15 1 13 5 16 1 14 6 8 1 15 6 17 1 16 7 9 1 17 7 18 1 18 7 19 1 19 8 9 2 20 8 20 1 21 9 12 1 22 10 21 1 23 10 22 1 24 10 23 1 25 11 24 1 26 11 25 1 27 11 26 1 28 12 28 1