@MOLECULE 3-[(2e)-3,7-dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8815 -0.0678 -2.0428 O.3 1 UNL1111 -0.4421 2 O 0.4137 3.2339 1.2243 O.3 1 UNL1111 -0.4522 3 O -1.1217 -2.5087 -0.7106 O.3 1 UNL1111 -0.5564 4 O -2.2830 -1.4009 -2.2452 O.2 1 UNL1111 -0.4969 5 C -3.0160 -0.2498 0.9797 C.3 1 UNL1111 -0.3090 6 C -4.1947 0.3133 0.1681 C.3 1 UNL1111 -0.2642 7 C -1.7385 0.3697 0.5021 C.ar 1 UNL1111 0.2025 8 C -5.5267 -0.2218 0.7054 C.3 1 UNL1111 -0.2724 9 C 0.6745 1.5730 -0.4001 C.ar 1 UNL1111 -0.1912 10 C -1.0345 -0.1825 -0.5771 C.ar 1 UNL1111 -0.3708 11 C -6.7074 0.3942 -0.0581 C.3 1 UNL1111 -0.2493 12 C -1.2611 1.5219 1.1167 C.ar 1 UNL1111 -0.4080 13 C 0.1622 0.4169 -1.0048 C.ar 1 UNL1111 0.3767 14 C 1.9568 2.1866 -0.8532 C.3 1 UNL1111 -0.2260 15 C -0.0716 2.1020 0.6570 C.ar 1 UNL1111 0.3544 16 C 3.1042 1.6258 -0.0722 C.2 1 UNL1111 -0.2081 17 C 4.1571 0.9847 -0.5942 C.2 1 UNL1111 0.0346 18 C 5.2984 0.5448 0.2785 C.3 1 UNL1111 -0.2850 19 C -8.0396 -0.1429 0.4662 C.3 1 UNL1111 -0.4405 20 C 5.1604 -0.9498 0.6224 C.3 1 UNL1111 -0.2523 21 C -1.5720 -1.3527 -1.2750 C.2 1 UNL1111 0.6646 22 C 4.3019 0.6541 -2.0416 C.3 1 UNL1111 -0.4542 23 C 4.0471 -1.1485 1.5952 C.2 1 UNL1111 -0.2310 24 C 2.9952 -1.9561 1.4128 C.2 1 UNL1111 0.0568 25 C 2.7796 -2.8151 0.2110 C.3 1 UNL1111 -0.4554 26 C 1.9246 -2.0645 2.4509 C.3 1 UNL1111 -0.4570 27 H -3.1721 -0.0536 2.0596 H 1 UNL1111 0.1560 28 H -2.9850 -1.3557 0.8931 H 1 UNL1111 0.1614 29 H -4.1843 1.4195 0.2035 H 1 UNL1111 0.1432 30 H -4.0787 0.0452 -0.9026 H 1 UNL1111 0.1577 31 H -5.5563 -1.3237 0.6175 H 1 UNL1111 0.1381 32 H -5.6214 -0.0001 1.7843 H 1 UNL1111 0.1344 33 H -6.6119 0.1762 -1.1393 H 1 UNL1111 0.1395 34 H -6.6832 1.4966 0.0318 H 1 UNL1111 0.1332 35 H -1.8037 1.9671 1.9419 H 1 UNL1111 0.1696 36 H 2.0842 2.0412 -1.9493 H 1 UNL1111 0.1598 37 H 1.9360 3.2932 -0.7101 H 1 UNL1111 0.1604 38 H 3.0227 1.7872 1.0019 H 1 UNL1111 0.1508 39 H 6.2657 0.7276 -0.2284 H 1 UNL1111 0.1396 40 H 5.3412 1.1434 1.2094 H 1 UNL1111 0.1441 41 H -8.1012 -1.2318 0.3624 H 1 UNL1111 0.1432 42 H -8.8842 0.2879 -0.0829 H 1 UNL1111 0.1414 43 H -8.1799 0.0967 1.5254 H 1 UNL1111 0.1403 44 H 5.0106 -1.5301 -0.3098 H 1 UNL1111 0.1425 45 H 6.1057 -1.3273 1.0611 H 1 UNL1111 0.1378 46 H 4.8184 1.4599 -2.5809 H 1 UNL1111 0.1512 47 H 3.3225 0.5015 -2.5240 H 1 UNL1111 0.1649 48 H 4.8776 -0.2674 -2.1984 H 1 UNL1111 0.1473 49 H 4.1412 -0.5524 2.5012 H 1 UNL1111 0.1440 50 H 0.5092 -0.9144 -2.4006 H 1 UNL1111 0.3319 51 H -0.1790 3.5691 1.9459 H 1 UNL1111 0.3274 52 H -1.4665 -3.3259 -1.1474 H 1 UNL1111 0.3481 53 H 3.3025 -3.7763 0.3164 H 1 UNL1111 0.1517 54 H 3.1427 -2.3363 -0.7099 H 1 UNL1111 0.1555 55 H 1.7139 -3.0363 0.0554 H 1 UNL1111 0.1573 56 H 1.7680 -3.1095 2.7508 H 1 UNL1111 0.1519 57 H 2.1495 -1.4913 3.3578 H 1 UNL1111 0.1460 58 H 0.9685 -1.6849 2.0594 H 1 UNL1111 0.1625 @BOND 1 1 13 1 2 1 50 1 3 2 15 1 4 2 51 1 5 3 21 1 6 3 52 1 7 4 21 2 8 5 6 1 9 5 7 1 10 5 27 1 11 5 28 1 12 6 8 1 13 6 29 1 14 6 30 1 15 7 10 ar 16 7 12 ar 17 8 11 1 18 8 31 1 19 8 32 1 20 9 13 ar 21 9 14 1 22 9 15 ar 23 10 13 ar 24 10 21 1 25 11 19 1 26 11 33 1 27 11 34 1 28 12 15 ar 29 12 35 1 30 14 16 1 31 14 36 1 32 14 37 1 33 16 17 2 34 16 38 1 35 17 18 1 36 17 22 1 37 18 20 1 38 18 39 1 39 18 40 1 40 19 41 1 41 19 42 1 42 19 43 1 43 20 23 1 44 20 44 1 45 20 45 1 46 22 46 1 47 22 47 1 48 22 48 1 49 23 24 2 50 23 49 1 51 24 25 1 52 24 26 1 53 25 53 1 54 25 54 1 55 25 55 1 56 26 56 1 57 26 57 1 58 26 58 1