@MOLECULE 1-(2-hydroxy-2-propanyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydro-6-azulenecarbaldehyde 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.5589 -0.4243 1.5474 O.3 1 UNL11111111111 -0.5929 2 O 4.8883 -0.6702 0.6656 O.2 1 UNL11111111111 -0.2803 3 C 0.1183 1.3649 0.0410 C.3 1 UNL11111111111 0.5167 4 C -0.3607 -0.0918 -0.2291 C.3 1 UNL11111111111 0.1339 5 C -1.8552 0.0027 -0.6540 C.3 1 UNL11111111111 -0.1036 6 C -0.9119 2.2550 -0.7011 C.3 1 UNL11111111111 -0.6395 7 C -2.2367 1.4948 -0.5773 C.3 1 UNL11111111111 -0.3491 8 C 1.5316 1.6764 -0.4760 C.3 1 UNL11111111111 -0.5984 9 C -2.7714 -0.8793 0.2215 C.3 1 UNL11111111111 0.5274 10 C 0.4395 -0.8162 -1.3258 C.3 1 UNL11111111111 -0.4552 11 C 0.0300 1.6511 1.5483 C.3 1 UNL11111111111 -1.0799 12 C 2.6368 0.8481 0.1843 C.3 1 UNL11111111111 -0.3875 13 C 1.7569 -1.3110 -0.8369 C.2 1 UNL11111111111 -0.2864 14 C -4.2529 -0.6932 -0.1365 C.3 1 UNL11111111111 -0.9978 15 C -2.3899 -2.3641 0.1357 C.3 1 UNL11111111111 -1.0918 16 C 2.6890 -0.5902 -0.1991 C.2 1 UNL11111111111 0.1034 17 C 3.9456 -1.2728 0.2094 C.2 1 UNL11111111111 0.0262 18 H -0.2732 -0.6749 0.7169 H 1 UNL11111111111 0.1242 19 H -1.9703 -0.3385 -1.7076 H 1 UNL11111111111 0.1080 20 H -0.6320 2.3828 -1.7592 H 1 UNL11111111111 0.1869 21 H -0.9706 3.2634 -0.2675 H 1 UNL11111111111 0.2165 22 H -2.9523 1.7760 -1.3623 H 1 UNL11111111111 0.1564 23 H -2.7193 1.7227 0.3922 H 1 UNL11111111111 0.2051 24 H 1.7397 2.7519 -0.3004 H 1 UNL11111111111 0.2050 25 H 1.5772 1.5465 -1.5735 H 1 UNL11111111111 0.2009 26 H 0.5826 -0.1435 -2.1984 H 1 UNL11111111111 0.1909 27 H -0.1619 -1.6657 -1.7130 H 1 UNL11111111111 0.1716 28 H -0.9877 1.4584 1.9189 H 1 UNL11111111111 0.3339 29 H 0.2820 2.6894 1.7782 H 1 UNL11111111111 0.2821 30 H 0.7001 1.0045 2.1241 H 1 UNL11111111111 0.2954 31 H 2.5545 0.9214 1.2931 H 1 UNL11111111111 0.2117 32 H 3.6226 1.3197 -0.0463 H 1 UNL11111111111 0.2018 33 H 1.9321 -2.3699 -1.0507 H 1 UNL11111111111 0.2231 34 H -4.4307 -0.8640 -1.2022 H 1 UNL11111111111 0.2722 35 H -4.5847 0.3257 0.0989 H 1 UNL11111111111 0.2419 36 H -4.8945 -1.3803 0.4229 H 1 UNL11111111111 0.2911 37 H -2.4465 -2.7318 -0.8928 H 1 UNL11111111111 0.3042 38 H -1.3658 -2.5264 0.4948 H 1 UNL11111111111 0.2925 39 H -3.0491 -2.9859 0.7487 H 1 UNL11111111111 0.3054 40 H -3.0949 -0.9311 2.1828 H 1 UNL11111111111 0.3784 41 H 4.0006 -2.3632 0.0850 H 1 UNL11111111111 0.1554 @BOND 1 26 10 1 2 20 6 1 3 27 10 1 4 19 5 1 5 25 8 1 6 22 7 1 7 10 13 1 8 10 4 1 9 34 14 1 10 33 13 1 11 37 15 1 12 13 16 2 13 6 7 1 14 6 21 1 15 6 3 1 16 5 7 1 17 5 4 1 18 5 9 1 19 7 23 1 20 8 24 1 21 8 3 1 22 8 12 1 23 4 3 1 24 4 18 1 25 16 12 1 26 16 17 1 27 14 35 1 28 14 9 1 29 14 36 1 30 32 12 1 31 3 11 1 32 41 17 1 33 15 9 1 34 15 38 1 35 15 39 1 36 12 31 1 37 17 2 2 38 9 1 1 39 1 40 1 40 11 29 1 41 11 28 1 42 11 30 1