@MOLECULE 2-[(9e)-14-methoxy-9-pentadecen-6-yl]-1,4-benzoquinone 59 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9522 0.8463 1.8612 O.2 1 UNL1111111111 -0.3957 2 O 3.4331 -0.6309 0.6530 O.3 1 UNL1111111111 -0.4027 3 O -5.4904 -1.1233 0.0535 O.2 1 UNL1111111111 -0.3973 4 C -1.1352 0.7698 -0.9535 C.3 1 UNL1111111111 -0.1320 5 C -0.5843 -0.3452 -1.8614 C.3 1 UNL1111111111 -0.2694 6 C -1.6871 1.9541 -1.7730 C.3 1 UNL1111111111 -0.2619 7 C 0.2399 -1.3480 -1.0468 C.3 1 UNL1111111111 -0.2885 8 C -2.2021 0.2267 -0.0528 C.2 1 UNL1111111111 -0.0288 9 C -0.5541 2.8206 -2.3527 C.3 1 UNL1111111111 -0.2738 10 C 0.7986 -2.4603 -1.9408 C.3 1 UNL1111111111 -0.2619 11 C 1.6854 -3.4020 -1.1147 C.3 1 UNL1111111111 -0.2575 12 C 0.3104 3.3455 -1.2504 C.2 1 UNL1111111111 -0.1823 13 C -1.9046 0.2559 1.4130 C.2 1 UNL1111111111 0.4207 14 C -3.3692 -0.2643 -0.4892 C.2 1 UNL1111111111 -0.2671 15 C 3.1380 2.2054 0.7095 C.3 1 UNL1111111111 -0.2577 16 C 2.4229 3.4047 0.0647 C.3 1 UNL1111111111 -0.2822 17 C 2.1339 1.1974 1.2759 C.3 1 UNL1111111111 -0.3044 18 C 1.5793 2.9607 -1.0862 C.2 1 UNL1111111111 -0.1456 19 C 2.8472 -0.0507 1.8165 C.3 1 UNL1111111111 0.1364 20 C 2.3180 -4.4768 -1.9975 C.3 1 UNL1111111111 -0.4398 21 C -4.3877 -0.8088 0.4326 C.2 1 UNL1111111111 0.4344 22 C -2.8399 -0.4695 2.3124 C.2 1 UNL1111111111 -0.2123 23 C -3.9950 -0.9615 1.8610 C.2 1 UNL1111111111 -0.1992 24 C 1.8522 -1.0332 2.4386 C.3 1 UNL1111111111 -0.5004 25 C 4.4217 -1.6014 0.9259 C.3 1 UNL1111111111 -0.1992 26 H -0.2802 1.1600 -0.3275 H 1 UNL1111111111 0.1843 27 H 0.0518 0.1024 -2.6498 H 1 UNL1111111111 0.1457 28 H -1.4059 -0.8604 -2.3907 H 1 UNL1111111111 0.1407 29 H -2.3327 2.5816 -1.1283 H 1 UNL1111111111 0.1423 30 H -2.3336 1.5874 -2.5904 H 1 UNL1111111111 0.1380 31 H -0.3745 -1.7841 -0.2388 H 1 UNL1111111111 0.1326 32 H 1.0826 -0.8262 -0.5428 H 1 UNL1111111111 0.1591 33 H -0.9879 3.6615 -2.9310 H 1 UNL1111111111 0.1422 34 H 0.0343 2.2337 -3.0855 H 1 UNL1111111111 0.1437 35 H 1.3862 -2.0220 -2.7690 H 1 UNL1111111111 0.1369 36 H -0.0246 -3.0260 -2.4128 H 1 UNL1111111111 0.1334 37 H 1.0920 -3.8720 -0.3094 H 1 UNL1111111111 0.1295 38 H 2.4765 -2.8144 -0.6046 H 1 UNL1111111111 0.1480 39 H -0.1829 4.0328 -0.5676 H 1 UNL1111111111 0.1450 40 H -3.6373 -0.2942 -1.5467 H 1 UNL1111111111 0.1850 41 H 3.7838 1.7018 -0.0380 H 1 UNL1111111111 0.1526 42 H 3.8154 2.5591 1.5075 H 1 UNL1111111111 0.1295 43 H 3.1741 4.1423 -0.2864 H 1 UNL1111111111 0.1444 44 H 1.8199 3.9339 0.8291 H 1 UNL1111111111 0.1448 45 H 1.5194 1.6579 2.0719 H 1 UNL1111111111 0.1555 46 H 1.4126 0.8983 0.4869 H 1 UNL1111111111 0.1591 47 H 2.0707 2.2736 -1.7741 H 1 UNL1111111111 0.1470 48 H 3.6474 0.2245 2.5354 H 1 UNL1111111111 0.1100 49 H 2.9488 -4.0340 -2.7763 H 1 UNL1111111111 0.1416 50 H 2.9465 -5.1542 -1.4097 H 1 UNL1111111111 0.1373 51 H 1.5550 -5.0842 -2.4967 H 1 UNL1111111111 0.1407 52 H -2.5152 -0.5531 3.3505 H 1 UNL1111111111 0.1795 53 H -4.7132 -1.4894 2.4893 H 1 UNL1111111111 0.1784 54 H 1.2932 -1.5619 1.6558 H 1 UNL1111111111 0.1599 55 H 2.3520 -1.7862 3.0531 H 1 UNL1111111111 0.1425 56 H 1.1201 -0.5143 3.0683 H 1 UNL1111111111 0.1596 57 H 5.2554 -1.1664 1.4853 H 1 UNL1111111111 0.1179 58 H 3.9998 -2.4572 1.4610 H 1 UNL1111111111 0.1196 59 H 4.7546 -1.9049 -0.0751 H 1 UNL1111111111 0.1418 @BOND 1 1 13 2 2 2 19 1 3 2 25 1 4 3 21 2 5 4 5 1 6 4 6 1 7 4 8 1 8 4 26 1 9 5 7 1 10 5 27 1 11 5 28 1 12 6 9 1 13 6 29 1 14 6 30 1 15 7 10 1 16 7 31 1 17 7 32 1 18 8 13 1 19 8 14 2 20 9 12 1 21 9 33 1 22 9 34 1 23 10 11 1 24 10 35 1 25 10 36 1 26 11 20 1 27 11 37 1 28 11 38 1 29 12 18 2 30 12 39 1 31 13 22 1 32 14 21 1 33 14 40 1 34 15 16 1 35 15 17 1 36 15 41 1 37 15 42 1 38 16 18 1 39 16 43 1 40 16 44 1 41 17 19 1 42 17 45 1 43 17 46 1 44 18 47 1 45 19 24 1 46 19 48 1 47 20 49 1 48 20 50 1 49 20 51 1 50 21 23 1 51 22 23 2 52 22 52 1 53 23 53 1 54 24 54 1 55 24 55 1 56 24 56 1 57 25 57 1 58 25 58 1 59 25 59 1