@MOLECULE (2s)-6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-yl acetate 47 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5013 -1.7208 -0.3150 O.3 1 UNL1111111111 -0.4739 2 O 1.3475 -2.9764 0.0154 O.2 1 UNL1111111111 -0.5306 3 C -1.2693 0.3470 0.4166 C.3 1 UNL1111111111 -0.1304 4 C -0.0328 -0.5904 0.4479 C.3 1 UNL1111111111 0.3087 5 C -2.5200 -0.3596 0.9639 C.3 1 UNL1111111111 -0.2660 6 C -1.5712 0.8366 -1.0119 C.3 1 UNL1111111111 -0.2705 7 C 1.1935 -0.0115 -0.2737 C.3 1 UNL1111111111 -0.3363 8 C -3.6746 0.6446 1.0824 C.3 1 UNL1111111111 -0.2840 9 C 0.3042 -1.0378 1.8690 C.3 1 UNL1111111111 -0.5058 10 C -3.8375 1.4547 -0.1673 C.2 1 UNL1111111111 0.0242 11 C -2.8815 1.5479 -1.0990 C.2 1 UNL1111111111 -0.2132 12 C 1.6602 1.3215 0.3271 C.3 1 UNL1111111111 -0.2530 13 C -5.1449 2.1650 -0.2964 C.3 1 UNL1111111111 -0.4590 14 C 2.8647 1.8060 -0.4142 C.2 1 UNL1111111111 -0.2380 15 C 0.2490 -2.8319 -0.4562 C.2 1 UNL1111111111 0.6477 16 C 4.1259 1.4899 -0.0909 C.2 1 UNL1111111111 0.0626 17 C -0.5075 -3.8268 -1.2768 C.3 1 UNL1111111111 -0.5137 18 C 5.2818 2.0041 -0.8864 C.3 1 UNL1111111111 -0.4605 19 C 4.4811 0.6116 1.0627 C.3 1 UNL1111111111 -0.4579 20 H -1.0413 1.2289 1.0620 H 1 UNL1111111111 0.1462 21 H -2.8051 -1.1890 0.2880 H 1 UNL1111111111 0.1522 22 H -2.3186 -0.8200 1.9461 H 1 UNL1111111111 0.1340 23 H -0.7574 1.5013 -1.3664 H 1 UNL1111111111 0.1453 24 H -1.5818 -0.0310 -1.7082 H 1 UNL1111111111 0.1590 25 H 2.0267 -0.7462 -0.2330 H 1 UNL1111111111 0.1738 26 H 0.9771 0.1100 -1.3518 H 1 UNL1111111111 0.1539 27 H -4.6124 0.1052 1.3210 H 1 UNL1111111111 0.1421 28 H -3.4954 1.3275 1.9391 H 1 UNL1111111111 0.1461 29 H 1.2719 -1.5605 1.9049 H 1 UNL1111111111 0.1781 30 H 0.3608 -0.1875 2.5556 H 1 UNL1111111111 0.1550 31 H -0.4439 -1.7378 2.2581 H 1 UNL1111111111 0.1578 32 H -3.0138 2.1440 -1.9977 H 1 UNL1111111111 0.1416 33 H 0.8506 2.0772 0.2732 H 1 UNL1111111111 0.1411 34 H 1.8783 1.1980 1.4069 H 1 UNL1111111111 0.1435 35 H -5.9700 1.4498 -0.4247 H 1 UNL1111111111 0.1544 36 H -5.3674 2.7651 0.5964 H 1 UNL1111111111 0.1524 37 H -5.1728 2.8454 -1.1573 H 1 UNL1111111111 0.1511 38 H 2.6433 2.4406 -1.2684 H 1 UNL1111111111 0.1448 39 H -0.9023 -3.3759 -2.1997 H 1 UNL1111111111 0.1833 40 H -1.3683 -4.2235 -0.7178 H 1 UNL1111111111 0.1817 41 H 0.1379 -4.6737 -1.5540 H 1 UNL1111111111 0.1822 42 H 5.7691 1.1875 -1.4391 H 1 UNL1111111111 0.1579 43 H 4.9877 2.7620 -1.6237 H 1 UNL1111111111 0.1495 44 H 6.0423 2.4628 -0.2399 H 1 UNL1111111111 0.1530 45 H 3.8961 -0.3214 1.0540 H 1 UNL1111111111 0.1652 46 H 4.2754 1.1130 2.0191 H 1 UNL1111111111 0.1550 47 H 5.5390 0.3229 1.0676 H 1 UNL1111111111 0.1493 @BOND 1 1 4 1 2 1 15 1 3 2 15 2 4 3 4 1 5 3 5 1 6 3 6 1 7 3 20 1 8 4 7 1 9 4 9 1 10 5 8 1 11 5 21 1 12 5 22 1 13 6 11 1 14 6 23 1 15 6 24 1 16 7 12 1 17 7 25 1 18 7 26 1 19 8 10 1 20 8 27 1 21 8 28 1 22 9 29 1 23 9 30 1 24 9 31 1 25 10 11 2 26 10 13 1 27 11 32 1 28 12 14 1 29 12 33 1 30 12 34 1 31 13 35 1 32 13 36 1 33 13 37 1 34 14 16 2 35 14 38 1 36 15 17 1 37 16 18 1 38 16 19 1 39 17 39 1 40 17 40 1 41 17 41 1 42 18 42 1 43 18 43 1 44 18 44 1 45 19 45 1 46 19 46 1 47 19 47 1