@MOLECULE (2e,6s)-6-(alpha-l-arabinopyranosyloxy)-2,6-dimethyl-2,7-octadienoic acid 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8129 -0.5857 0.1003 O.3 1 UNL1111111111 -0.4272 2 O 2.8934 -0.8612 0.8493 O.3 1 UNL1111111111 -0.4502 3 O 1.9411 1.0504 -2.0394 O.3 1 UNL1111111111 -0.5533 4 O 3.7390 2.9060 -0.5393 O.3 1 UNL1111111111 -0.5482 5 O 3.7624 1.5593 1.8507 O.3 1 UNL1111111111 -0.5478 6 O -6.1948 1.8054 -0.0911 O.3 1 UNL1111111111 -0.5530 7 O -5.8943 0.2461 1.4632 O.2 1 UNL1111111111 -0.5264 8 C 2.3110 0.9980 -0.6750 C.3 1 UNL1111111111 0.0370 9 C 2.1428 -0.4980 -0.3122 C.3 1 UNL1111111111 0.2943 10 C 3.7610 1.5003 -0.5391 C.3 1 UNL1111111111 0.0449 11 C 4.4171 0.9719 0.7500 C.3 1 UNL1111111111 0.0530 12 C 0.1948 -1.8778 0.0865 C.3 1 UNL1111111111 0.2846 13 C 4.2664 -0.5530 0.7913 C.3 1 UNL1111111111 -0.0908 14 C -1.1912 -1.5673 0.6972 C.3 1 UNL1111111111 -0.2888 15 C 0.9794 -2.8463 0.9670 C.3 1 UNL1111111111 -0.4932 16 C -1.9151 -0.4773 -0.1012 C.3 1 UNL1111111111 -0.2825 17 C 0.0693 -2.3519 -1.3369 C.2 1 UNL1111111111 -0.1911 18 C -3.2790 -0.2099 0.4253 C.2 1 UNL1111111111 -0.0578 19 C -0.3275 -3.5766 -1.6747 C.2 1 UNL1111111111 -0.3054 20 C -4.1174 0.6987 -0.1017 C.2 1 UNL1111111111 -0.1389 21 C -3.8311 1.5710 -1.2689 C.3 1 UNL1111111111 -0.4207 22 C -5.4417 0.8507 0.5215 C.2 1 UNL1111111111 0.6370 23 H 1.6045 1.6291 -0.0887 H 1 UNL1111111111 0.1553 24 H 2.4010 -1.1908 -1.1363 H 1 UNL1111111111 0.1330 25 H 4.3580 1.2512 -1.4466 H 1 UNL1111111111 0.1609 26 H 5.4678 1.3177 0.8546 H 1 UNL1111111111 0.1610 27 H 4.6480 -0.9821 1.7392 H 1 UNL1111111111 0.1638 28 H 4.7516 -1.0562 -0.0607 H 1 UNL1111111111 0.1323 29 H -1.0597 -1.2416 1.7481 H 1 UNL1111111111 0.1586 30 H -1.7894 -2.4966 0.7226 H 1 UNL1111111111 0.1517 31 H 0.4071 -3.7511 1.1920 H 1 UNL1111111111 0.1531 32 H 1.2532 -2.3688 1.9193 H 1 UNL1111111111 0.1729 33 H 1.9192 -3.1543 0.4931 H 1 UNL1111111111 0.1603 34 H -1.9671 -0.7653 -1.1753 H 1 UNL1111111111 0.1661 35 H -1.3052 0.4570 -0.0899 H 1 UNL1111111111 0.1793 36 H 0.3083 -1.5918 -2.0846 H 1 UNL1111111111 0.1655 37 H 2.0559 1.9681 -2.3748 H 1 UNL1111111111 0.3351 38 H 3.5588 3.2433 0.3710 H 1 UNL1111111111 0.3390 39 H 2.9229 1.0704 2.0385 H 1 UNL1111111111 0.3403 40 H -3.5835 -0.8067 1.2935 H 1 UNL1111111111 0.1680 41 H -0.4328 -3.9039 -2.6982 H 1 UNL1111111111 0.1474 42 H -0.5795 -4.3480 -0.9632 H 1 UNL1111111111 0.1462 43 H -2.8076 1.4619 -1.6498 H 1 UNL1111111111 0.1534 44 H -4.5187 1.3571 -2.1034 H 1 UNL1111111111 0.1640 45 H -3.9743 2.6352 -1.0173 H 1 UNL1111111111 0.1668 46 H -7.0875 1.9123 0.3211 H 1 UNL1111111111 0.3504 @BOND 1 1 9 1 2 1 12 1 3 2 9 1 4 2 13 1 5 3 8 1 6 3 37 1 7 4 10 1 8 4 38 1 9 5 11 1 10 5 39 1 11 6 22 1 12 6 46 1 13 7 22 2 14 8 9 1 15 8 10 1 16 8 23 1 17 9 24 1 18 10 11 1 19 10 25 1 20 11 13 1 21 11 26 1 22 12 14 1 23 12 15 1 24 12 17 1 25 13 27 1 26 13 28 1 27 14 16 1 28 14 29 1 29 14 30 1 30 15 31 1 31 15 32 1 32 15 33 1 33 16 18 1 34 16 34 1 35 16 35 1 36 17 19 2 37 17 36 1 38 18 20 2 39 18 40 1 40 19 41 1 41 19 42 1 42 20 21 1 43 20 22 1 44 21 43 1 45 21 44 1 46 21 45 1