@MOLECULE (2e,4e,6z,8e)-3,7-dimethyl-8-(5-methyl-3,4-dihydro-1(2h)-naphthalenylidene)-2,4,6-octatrienoic acid 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.0227 -3.3995 -0.4951 C.3 1 UNL1111 -0.4492 2 C 3.8558 -2.0689 0.1605 C.ar 1 UNL1111 -0.0002 3 C 4.6265 -1.7673 1.2836 C.ar 1 UNL1111 -0.1662 4 C 4.5063 -0.5282 1.9062 C.ar 1 UNL1111 -0.1527 5 C 3.6068 0.4096 1.4131 C.ar 1 UNL1111 -0.1588 6 C 2.8125 0.1150 0.2992 C.ar 1 UNL1111 -0.0414 7 C 2.9433 -1.1270 -0.3397 C.ar 1 UNL1111 -0.0034 8 C 2.1597 -1.4624 -1.5730 C.3 1 UNL1111 -0.2771 9 C 1.0329 -0.4702 -1.8792 C.3 1 UNL1111 -0.2531 10 C 1.5105 0.9680 -1.6517 C.3 1 UNL1111 -0.2908 11 C 1.8583 1.1133 -0.2015 C.2 1 UNL1111 0.0446 12 C 1.3214 2.0574 0.5871 C.2 1 UNL1111 -0.2505 13 C 0.3905 3.0915 0.1309 C.2 1 UNL1111 0.0988 14 C 0.9999 4.4485 0.0077 C.3 1 UNL1111 -0.4594 15 C -0.9097 2.8668 -0.1327 C.2 1 UNL1111 -0.2620 16 C -1.5291 1.5599 -0.0110 C.2 1 UNL1111 -0.0675 17 C -2.7992 1.3252 -0.3783 C.2 1 UNL1111 -0.2532 18 C -3.4344 0.0136 -0.2404 C.2 1 UNL1111 0.2042 19 C -2.6690 -1.1606 -0.7344 C.3 1 UNL1111 -0.4812 20 C -4.6583 -0.0760 0.3190 C.2 1 UNL1111 -0.3874 21 C -5.3665 -1.3333 0.4892 C.2 1 UNL1111 0.6703 22 O -5.0509 -2.4559 0.1722 O.2 1 UNL1111 -0.5426 23 O -6.5679 -1.1292 1.1057 O.3 1 UNL1111 -0.5635 24 H 3.1093 -4.0063 -0.4033 H 1 UNL1111 0.1600 25 H 4.2481 -3.2990 -1.5666 H 1 UNL1111 0.1567 26 H 4.8407 -3.9866 -0.0553 H 1 UNL1111 0.1557 27 H 5.3292 -2.5010 1.6739 H 1 UNL1111 0.1528 28 H 5.1170 -0.2939 2.7758 H 1 UNL1111 0.1519 29 H 3.5287 1.3829 1.8954 H 1 UNL1111 0.1541 30 H 2.8617 -1.5045 -2.4353 H 1 UNL1111 0.1520 31 H 1.7298 -2.4833 -1.4866 H 1 UNL1111 0.1525 32 H 0.6802 -0.5992 -2.9185 H 1 UNL1111 0.1396 33 H 0.1607 -0.6786 -1.2277 H 1 UNL1111 0.1446 34 H 2.3963 1.1907 -2.2804 H 1 UNL1111 0.1559 35 H 0.7302 1.6888 -1.9671 H 1 UNL1111 0.1569 36 H 1.5621 2.1234 1.6510 H 1 UNL1111 0.1690 37 H 1.9245 4.4187 -0.5888 H 1 UNL1111 0.1648 38 H 0.3297 5.1775 -0.4660 H 1 UNL1111 0.1546 39 H 1.2698 4.8495 0.9967 H 1 UNL1111 0.1644 40 H -1.5603 3.6808 -0.4540 H 1 UNL1111 0.1573 41 H -0.9028 0.7643 0.4084 H 1 UNL1111 0.1604 42 H -3.4359 2.1120 -0.7845 H 1 UNL1111 0.1657 43 H -2.1961 -1.7032 0.1018 H 1 UNL1111 0.1808 44 H -3.3202 -1.9034 -1.2317 H 1 UNL1111 0.1923 45 H -1.8822 -0.8890 -1.4496 H 1 UNL1111 0.1585 46 H -5.1862 0.8070 0.6864 H 1 UNL1111 0.1921 47 H -7.0810 -1.9615 1.2384 H 1 UNL1111 0.3498 @BOND 1 1 24 1 2 1 25 1 3 1 26 1 4 2 1 1 5 2 3 ar 6 3 27 1 7 4 3 ar 8 4 28 1 9 5 4 ar 10 5 29 1 11 6 7 ar 12 6 5 ar 13 7 2 ar 14 8 7 1 15 8 30 1 16 8 31 1 17 9 8 1 18 9 32 1 19 9 33 1 20 10 9 1 21 10 11 1 22 10 34 1 23 10 35 1 24 11 6 1 25 12 11 2 26 12 36 1 27 13 12 1 28 14 13 1 29 14 37 1 30 14 38 1 31 14 39 1 32 15 13 2 33 15 16 1 34 15 40 1 35 16 41 1 36 17 16 2 37 17 18 1 38 17 42 1 39 18 19 1 40 19 43 1 41 19 44 1 42 19 45 1 43 20 18 2 44 20 21 1 45 20 46 1 46 21 23 1 47 22 21 2 48 23 47 1