@MOLECULE 3-chloro-5-[(2e)-3,7-dimethyl-2,6-octadien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde 45 45 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -1.9101 -2.8766 -0.7590 Cl 1 UNL11111111 -0.0720 2 O -1.3417 2.8662 -0.1259 O.3 1 UNL11111111 -0.4039 3 O 0.2240 -1.1951 -1.9698 O.3 1 UNL11111111 -0.4416 4 O -3.2788 2.7511 1.5794 O.2 1 UNL11111111 -0.4105 5 C 4.1460 1.2515 -0.0059 C.3 1 UNL11111111 -0.2909 6 C 0.6719 1.4977 -1.7223 C.3 1 UNL11111111 -0.2342 7 C 3.0354 1.0464 -0.9978 C.2 1 UNL11111111 0.0644 8 C -0.4973 0.8292 -1.0800 C.ar 1 UNL11111111 -0.2600 9 C 1.8253 1.5748 -0.7716 C.2 1 UNL11111111 -0.2335 10 C 4.2618 0.0532 0.9509 C.3 1 UNL11111111 -0.2529 11 C -1.4398 1.5386 -0.3176 C.ar 1 UNL11111111 0.3782 12 C -0.6838 -0.5492 -1.2097 C.ar 1 UNL11111111 0.3561 13 C -2.5673 0.9208 0.2518 C.ar 1 UNL11111111 -0.3523 14 C -2.7285 -0.4668 0.1200 C.ar 1 UNL11111111 0.1889 15 C 3.3955 0.2468 -2.2057 C.3 1 UNL11111111 -0.4577 16 C -1.7765 -1.1837 -0.5978 C.ar 1 UNL11111111 -0.2606 17 C 3.0969 -0.0123 1.8827 C.2 1 UNL11111111 -0.2266 18 C 2.3006 -1.0759 2.0463 C.2 1 UNL11111111 0.0546 19 C -3.9081 -1.1327 0.7379 C.3 1 UNL11111111 -0.4672 20 C -3.5590 1.7550 0.9594 C.2 1 UNL11111111 0.3680 21 C 1.1845 -1.0534 3.0419 C.3 1 UNL11111111 -0.4556 22 C 2.4380 -2.3589 1.2941 C.3 1 UNL11111111 -0.4549 23 H 3.9888 2.1808 0.5794 H 1 UNL11111111 0.1474 24 H 5.1078 1.4000 -0.5352 H 1 UNL11111111 0.1409 25 H 0.4080 2.5172 -2.0821 H 1 UNL11111111 0.1423 26 H 0.9507 0.9594 -2.6599 H 1 UNL11111111 0.1708 27 H 1.6073 2.0967 0.1579 H 1 UNL11111111 0.1493 28 H 5.1971 0.1437 1.5437 H 1 UNL11111111 0.1405 29 H 4.3789 -0.8774 0.3629 H 1 UNL11111111 0.1413 30 H 3.9472 0.8524 -2.9348 H 1 UNL11111111 0.1529 31 H 2.5079 -0.1581 -2.7190 H 1 UNL11111111 0.1631 32 H 4.0253 -0.6162 -1.9486 H 1 UNL11111111 0.1526 33 H 2.9314 0.9036 2.4484 H 1 UNL11111111 0.1472 34 H -4.7951 -1.0284 0.0899 H 1 UNL11111111 0.1737 35 H -3.7712 -2.2108 0.9116 H 1 UNL11111111 0.1763 36 H -4.1613 -0.7057 1.7202 H 1 UNL11111111 0.1688 37 H -4.6075 1.4315 0.8844 H 1 UNL11111111 0.1029 38 H 0.2110 -1.1662 2.5448 H 1 UNL11111111 0.1568 39 H 1.1427 -0.1168 3.6130 H 1 UNL11111111 0.1531 40 H 1.2824 -1.8717 3.7686 H 1 UNL11111111 0.1534 41 H 2.8830 -2.2131 0.3010 H 1 UNL11111111 0.1527 42 H 1.4652 -2.8435 1.1317 H 1 UNL11111111 0.1524 43 H 3.0739 -3.0673 1.8436 H 1 UNL11111111 0.1547 44 H -0.4594 3.2233 -0.4354 H 1 UNL11111111 0.3314 45 H 0.0803 -2.1778 -2.0172 H 1 UNL11111111 0.3396 @BOND 1 30 15 1 2 24 5 1 3 32 15 1 4 15 31 1 5 15 7 1 6 29 10 1 7 28 10 1 8 5 10 1 9 5 23 1 10 5 7 1 11 10 17 1 12 7 9 2 13 41 22 1 14 26 6 1 15 9 6 1 16 9 27 1 17 43 22 1 18 17 33 1 19 17 18 2 20 22 18 1 21 22 42 1 22 6 25 1 23 6 8 1 24 3 45 1 25 3 12 1 26 18 21 1 27 12 8 ar 28 12 16 ar 29 8 11 ar 30 44 2 1 31 21 40 1 32 21 39 1 33 21 38 1 34 1 16 1 35 2 11 1 36 11 13 ar 37 16 14 ar 38 13 14 ar 39 13 20 1 40 14 19 1 41 35 19 1 42 20 4 2 43 20 37 1 44 19 34 1 45 19 36 1