@MOLECULE cyclohexyl[(2e)-3,7-dimethyl-2,6-octadien-1-yl]malonic acid 53 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0603 1.5866 1.5096 O.3 1 UNL1111111111 -0.5253 2 O 0.7760 2.4299 -0.7149 O.3 1 UNL1111111111 -0.5280 3 O -0.3076 -0.5703 1.8500 O.2 1 UNL1111111111 -0.5168 4 O 0.1622 1.0694 -2.3505 O.2 1 UNL1111111111 -0.4982 5 C 2.3513 0.1885 0.1149 C.3 1 UNL1111111111 -0.0935 6 C 0.8253 0.1058 -0.2010 C.3 1 UNL1111111111 -0.1142 7 C 2.7903 -0.8834 1.1258 C.3 1 UNL1111111111 -0.2804 8 C 3.2007 0.0620 -1.1602 C.3 1 UNL1111111111 -0.2768 9 C 4.2678 -0.6785 1.4845 C.3 1 UNL1111111111 -0.2613 10 C 4.6806 0.2745 -0.8145 C.3 1 UNL1111111111 -0.2611 11 C 5.1436 -0.7529 0.2269 C.3 1 UNL1111111111 -0.2654 12 C 0.4066 -1.2619 -0.7888 C.3 1 UNL1111111111 -0.2481 13 C 0.1135 0.2919 1.1245 C.2 1 UNL1111111111 0.6449 14 C 0.5182 1.1945 -1.2085 C.2 1 UNL1111111111 0.6354 15 C -1.0362 -1.2967 -1.1699 C.2 1 UNL1111111111 -0.2606 16 C -1.9696 -2.0815 -0.6154 C.2 1 UNL1111111111 0.0759 17 C -3.3963 -1.9852 -1.0797 C.3 1 UNL1111111111 -0.2902 18 C -1.7011 -3.0578 0.4783 C.3 1 UNL1111111111 -0.4664 19 C -4.1559 -0.9515 -0.2240 C.3 1 UNL1111111111 -0.2538 20 C -3.6580 0.4312 -0.4917 C.2 1 UNL1111111111 -0.2220 21 C -3.2888 1.3096 0.4496 C.2 1 UNL1111111111 0.0416 22 C -2.7747 2.6635 0.0807 C.3 1 UNL1111111111 -0.4631 23 C -3.3394 1.0198 1.9140 C.3 1 UNL1111111111 -0.4629 24 H 2.5363 1.2008 0.5650 H 1 UNL1111111111 0.1668 25 H 2.1739 -0.8447 2.0438 H 1 UNL1111111111 0.1470 26 H 2.6440 -1.8962 0.7067 H 1 UNL1111111111 0.1453 27 H 3.0631 -0.9333 -1.6212 H 1 UNL1111111111 0.1451 28 H 2.8849 0.7986 -1.9223 H 1 UNL1111111111 0.1416 29 H 4.4063 0.2977 1.9860 H 1 UNL1111111111 0.1370 30 H 4.5878 -1.4427 2.2160 H 1 UNL1111111111 0.1316 31 H 5.2980 0.1940 -1.7288 H 1 UNL1111111111 0.1316 32 H 4.8378 1.3006 -0.4303 H 1 UNL1111111111 0.1379 33 H 5.1013 -1.7716 -0.2024 H 1 UNL1111111111 0.1365 34 H 6.2021 -0.5776 0.4898 H 1 UNL1111111111 0.1280 35 H 0.6478 -2.0608 -0.0550 H 1 UNL1111111111 0.1639 36 H 1.0231 -1.4782 -1.6898 H 1 UNL1111111111 0.1622 37 H -1.3035 -0.6152 -1.9807 H 1 UNL1111111111 0.1712 38 H -0.3985 1.7194 2.3806 H 1 UNL1111111111 0.3510 39 H 0.5806 3.1539 -1.3639 H 1 UNL1111111111 0.3495 40 H -3.9004 -2.9681 -1.0154 H 1 UNL1111111111 0.1404 41 H -3.4479 -1.6994 -2.1491 H 1 UNL1111111111 0.1485 42 H -0.9348 -3.7891 0.1920 H 1 UNL1111111111 0.1523 43 H -2.5922 -3.6211 0.7776 H 1 UNL1111111111 0.1457 44 H -1.3348 -2.5406 1.3833 H 1 UNL1111111111 0.1829 45 H -4.0599 -1.2246 0.8457 H 1 UNL1111111111 0.1462 46 H -5.2407 -1.0036 -0.4517 H 1 UNL1111111111 0.1408 47 H -3.6015 0.6870 -1.5490 H 1 UNL1111111111 0.1489 48 H -1.7135 2.7673 0.3606 H 1 UNL1111111111 0.1668 49 H -3.3394 3.4593 0.5979 H 1 UNL1111111111 0.1527 50 H -2.8437 2.8636 -0.9964 H 1 UNL1111111111 0.1506 51 H -2.6498 0.1995 2.1755 H 1 UNL1111111111 0.1696 52 H -3.0703 1.8857 2.5288 H 1 UNL1111111111 0.1435 53 H -4.3447 0.7061 2.2260 H 1 UNL1111111111 0.1552 @BOND 1 1 13 1 2 1 38 1 3 2 14 1 4 2 39 1 5 3 13 2 6 4 14 2 7 5 6 1 8 5 7 1 9 5 8 1 10 5 24 1 11 6 12 1 12 6 13 1 13 6 14 1 14 7 9 1 15 7 25 1 16 7 26 1 17 8 10 1 18 8 27 1 19 8 28 1 20 9 11 1 21 9 29 1 22 9 30 1 23 10 11 1 24 10 31 1 25 10 32 1 26 11 33 1 27 11 34 1 28 12 15 1 29 12 35 1 30 12 36 1 31 15 16 2 32 15 37 1 33 16 17 1 34 16 18 1 35 17 19 1 36 17 40 1 37 17 41 1 38 18 42 1 39 18 43 1 40 18 44 1 41 19 20 1 42 19 45 1 43 19 46 1 44 20 21 2 45 20 47 1 46 21 22 1 47 21 23 1 48 22 48 1 49 22 49 1 50 22 50 1 51 23 51 1 52 23 52 1 53 23 53 1