@MOLECULE (1r,4r,5r)-8-(hydroxymethyl)-4-isopropyl-1,7-dimethylbicyclo[3.2.1]oct-6-ene-6-carbaldehyde 41 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3838 2.6155 1.8145 O.3 1 UNL111111111 -0.5422 2 O 1.2493 1.9582 -1.9929 O.2 1 UNL111111111 -0.4460 3 C -1.6642 -0.8686 0.2776 C.3 1 UNL111111111 0.0494 4 C 0.2483 0.5462 0.3572 C.3 1 UNL111111111 -0.0955 5 C -1.0945 0.3213 1.1166 C.3 1 UNL111111111 -0.1925 6 C 1.2207 -0.5719 0.8103 C.3 1 UNL111111111 -0.1221 7 C -0.8562 -2.1184 0.6989 C.3 1 UNL111111111 -0.2859 8 C 0.6513 -1.9589 0.4276 C.3 1 UNL111111111 -0.2823 9 C -1.2424 -0.4799 -1.1422 C.2 1 UNL111111111 0.0899 10 C -0.1691 0.3359 -1.0842 C.2 1 UNL111111111 -0.2485 11 C 2.6271 -0.3801 0.1933 C.3 1 UNL111111111 -0.0723 12 C -3.1550 -1.0969 0.4492 C.3 1 UNL111111111 -0.4651 13 C -1.9830 1.5668 1.0822 C.3 1 UNL111111111 -0.0107 14 C -1.9581 -0.9790 -2.3283 C.3 1 UNL111111111 -0.4631 15 C 3.2084 0.9902 0.5640 C.3 1 UNL111111111 -0.4577 16 C 3.5852 -1.4785 0.6757 C.3 1 UNL111111111 -0.4539 17 C 0.5423 0.9916 -2.1739 C.2 1 UNL111111111 0.3516 18 H 0.6819 1.5473 0.5340 H 1 UNL111111111 0.1541 19 H -0.9245 0.0352 2.1731 H 1 UNL111111111 0.1572 20 H 1.3134 -0.5162 1.9205 H 1 UNL111111111 0.1402 21 H -1.2317 -3.0088 0.1638 H 1 UNL111111111 0.1358 22 H -1.0277 -2.3150 1.7734 H 1 UNL111111111 0.1440 23 H 1.1999 -2.7449 0.9791 H 1 UNL111111111 0.1378 24 H 0.8483 -2.1478 -0.6450 H 1 UNL111111111 0.1407 25 H 2.5395 -0.4390 -0.9181 H 1 UNL111111111 0.1316 26 H -3.4183 -1.2175 1.5079 H 1 UNL111111111 0.1553 27 H -3.7453 -0.2600 0.0577 H 1 UNL111111111 0.1512 28 H -3.4894 -2.0006 -0.0739 H 1 UNL111111111 0.1484 29 H -2.9367 1.4095 1.6199 H 1 UNL111111111 0.1400 30 H -2.1877 1.9104 0.0533 H 1 UNL111111111 0.1195 31 H -1.4309 -0.7718 -3.2702 H 1 UNL111111111 0.1584 32 H -2.9595 -0.5242 -2.4116 H 1 UNL111111111 0.1704 33 H -2.1114 -2.0692 -2.2757 H 1 UNL111111111 0.1668 34 H 3.1472 1.1809 1.6391 H 1 UNL111111111 0.1423 35 H 4.2614 1.0661 0.2719 H 1 UNL111111111 0.1451 36 H 2.6815 1.8008 0.0404 H 1 UNL111111111 0.1620 37 H 3.6303 -1.5169 1.7691 H 1 UNL111111111 0.1446 38 H 4.6031 -1.2981 0.3116 H 1 UNL111111111 0.1444 39 H 3.2866 -2.4672 0.3155 H 1 UNL111111111 0.1372 40 H 0.4175 0.5887 -3.1894 H 1 UNL111111111 0.1053 41 H -0.5447 2.8897 1.3894 H 1 UNL111111111 0.3146 @BOND 1 1 13 1 2 1 41 1 3 2 17 2 4 3 5 1 5 3 7 1 6 3 9 1 7 3 12 1 8 4 5 1 9 4 6 1 10 4 10 1 11 4 18 1 12 5 13 1 13 5 19 1 14 6 8 1 15 6 11 1 16 6 20 1 17 7 8 1 18 7 21 1 19 7 22 1 20 8 23 1 21 8 24 1 22 9 10 2 23 9 14 1 24 10 17 1 25 11 15 1 26 11 16 1 27 11 25 1 28 12 26 1 29 12 27 1 30 12 28 1 31 13 29 1 32 13 30 1 33 14 31 1 34 14 32 1 35 14 33 1 36 15 34 1 37 15 35 1 38 15 36 1 39 16 37 1 40 16 38 1 41 16 39 1 42 17 40 1