HMDB0040644 RDKit 3D Juvocimene 2 48 49 0 0 0 0 0 0 0 0999 V2000 -3.1412 2.2465 2.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5434 1.4493 1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 1.5476 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0496 2.5352 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 0.7885 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 -0.1928 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 0.2037 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2061 1.5551 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3148 1.9081 -0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 1.0111 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.5949 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7269 0.9176 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.4085 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7595 -1.0889 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0126 -0.4438 1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4071 -1.0084 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 -0.3083 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 -1.5406 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 -2.6755 -0.9778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2814 -2.5538 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 -3.4327 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -2.5147 1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 2.2269 3.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 2.9181 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8049 0.8058 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9944 2.2319 0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7432 3.5347 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 2.5074 -1.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7201 0.8619 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.2028 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 -0.5479 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 0.2973 -2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 2.3851 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4704 3.0218 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7892 2.6458 -0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7023 1.3779 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8041 -1.1567 1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2214 0.0327 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9880 0.3646 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -2.0559 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -0.8552 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4566 -1.4905 -2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 -2.8356 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5408 -3.5574 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 -4.3800 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 -3.5733 1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9508 -2.1919 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -1.9543 1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 6 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 17 10 1 0 20 18 1 0 1 23 1 0 1 24 1 0 2 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 22 48 1 0 M END