@MOLECULE 2,3-dimethyl-5-[(2e,7r,11r)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1,4-benzoquinone 76 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7366 -1.6997 2.2610 O.2 1 UNL1111111111 -0.3924 2 O 0.2483 -3.1101 -1.8703 O.2 1 UNL1111111111 -0.4081 3 C 2.0834 0.8649 -2.6959 C.3 1 UNL1111111111 -0.0778 4 C 1.6060 2.1131 -1.9274 C.3 1 UNL1111111111 -0.2826 5 C -0.3645 2.6416 1.3928 C.3 1 UNL1111111111 -0.0749 6 C 0.6235 1.7891 -0.7947 C.3 1 UNL1111111111 -0.2703 7 C 0.4372 2.9990 0.1275 C.3 1 UNL1111111111 -0.2869 8 C 2.8493 -0.1165 -1.7905 C.3 1 UNL1111111111 -0.2887 9 C -1.7593 2.0676 1.0855 C.3 1 UNL1111111111 -0.2838 10 C 4.2136 0.4304 -1.3515 C.3 1 UNL1111111111 -0.2718 11 C 4.7928 -0.3769 -0.1777 C.3 1 UNL1111111111 -0.2897 12 C 0.8943 0.1433 -3.3435 C.3 1 UNL1111111111 -0.4507 13 C -2.5674 2.9026 0.0850 C.3 1 UNL1111111111 -0.2530 14 C -0.4749 3.8805 2.2916 C.3 1 UNL1111111111 -0.4545 15 C 4.7613 0.4006 1.1531 C.3 1 UNL1111111111 -0.0560 16 C -3.9648 2.3015 -0.1465 C.3 1 UNL1111111111 -0.3015 17 C 5.4909 -0.4090 2.2348 C.3 1 UNL1111111111 -0.4598 18 C 3.3292 0.6972 1.6099 C.3 1 UNL1111111111 -0.4582 19 C -3.8600 0.8893 -0.6439 C.2 1 UNL1111111111 0.0591 20 C -4.1582 -0.1357 0.1658 C.2 1 UNL1111111111 -0.2357 21 C -3.3790 0.7158 -2.0450 C.3 1 UNL1111111111 -0.4540 22 C -4.0252 -1.5800 -0.2101 C.3 1 UNL1111111111 -0.2692 23 C -2.5915 -1.9691 -0.0766 C.2 1 UNL1111111111 -0.0050 24 C -2.0244 -1.9055 1.3067 C.2 1 UNL1111111111 0.4146 25 C -1.8254 -2.3356 -1.1094 C.2 1 UNL1111111111 -0.2924 26 C -0.5579 -2.1202 1.4547 C.2 1 UNL1111111111 -0.0754 27 C 0.2008 -2.4838 0.4053 C.2 1 UNL1111111111 -0.0650 28 C -0.3996 -2.6826 -0.9439 C.2 1 UNL1111111111 0.4388 29 C -0.0116 -1.9327 2.8216 C.3 1 UNL1111111111 -0.4345 30 C 1.6624 -2.7122 0.5070 C.3 1 UNL1111111111 -0.4466 31 H 2.7727 1.2058 -3.5070 H 1 UNL1111111111 0.1251 32 H 1.1330 2.8198 -2.6355 H 1 UNL1111111111 0.1326 33 H 2.4867 2.6448 -1.5190 H 1 UNL1111111111 0.1331 34 H 0.2036 1.8546 1.9517 H 1 UNL1111111111 0.1276 35 H -0.3502 1.4773 -1.2170 H 1 UNL1111111111 0.1395 36 H 0.9825 0.9222 -0.2084 H 1 UNL1111111111 0.1394 37 H -0.0563 3.8215 -0.4206 H 1 UNL1111111111 0.1370 38 H 1.4256 3.3970 0.4291 H 1 UNL1111111111 0.1342 39 H 2.2334 -0.3597 -0.9039 H 1 UNL1111111111 0.1446 40 H 2.9911 -1.0775 -2.3213 H 1 UNL1111111111 0.1394 41 H -2.3289 1.9651 2.0293 H 1 UNL1111111111 0.1400 42 H -1.6517 1.0349 0.7001 H 1 UNL1111111111 0.1403 43 H 4.9135 0.4085 -2.2070 H 1 UNL1111111111 0.1301 44 H 4.1280 1.4976 -1.0740 H 1 UNL1111111111 0.1411 45 H 5.8390 -0.6561 -0.4052 H 1 UNL1111111111 0.1332 46 H 4.2572 -1.3364 -0.0646 H 1 UNL1111111111 0.1382 47 H 0.3604 0.7980 -4.0384 H 1 UNL1111111111 0.1384 48 H 1.2204 -0.7410 -3.9028 H 1 UNL1111111111 0.1467 49 H 0.1785 -0.2042 -2.5907 H 1 UNL1111111111 0.1443 50 H -2.0288 2.9665 -0.8802 H 1 UNL1111111111 0.1420 51 H -2.6667 3.9411 0.4501 H 1 UNL1111111111 0.1344 52 H 0.5131 4.2579 2.5739 H 1 UNL1111111111 0.1393 53 H -1.0176 3.6534 3.2151 H 1 UNL1111111111 0.1420 54 H -1.0091 4.6941 1.7903 H 1 UNL1111111111 0.1419 55 H 5.2972 1.3681 1.0103 H 1 UNL1111111111 0.1273 56 H -4.5249 2.9245 -0.8722 H 1 UNL1111111111 0.1447 57 H -4.5496 2.3525 0.7933 H 1 UNL1111111111 0.1466 58 H 6.5325 -0.5997 1.9573 H 1 UNL1111111111 0.1397 59 H 5.4997 0.1255 3.1904 H 1 UNL1111111111 0.1417 60 H 5.0106 -1.3780 2.4035 H 1 UNL1111111111 0.1419 61 H 3.3209 1.2699 2.5431 H 1 UNL1111111111 0.1404 62 H 2.7885 1.2885 0.8586 H 1 UNL1111111111 0.1579 63 H 2.7596 -0.2215 1.7799 H 1 UNL1111111111 0.1367 64 H -4.4901 0.0275 1.1903 H 1 UNL1111111111 0.1608 65 H -4.0601 0.0824 -2.6324 H 1 UNL1111111111 0.1544 66 H -2.3880 0.2338 -2.0639 H 1 UNL1111111111 0.1620 67 H -3.2806 1.6682 -2.5816 H 1 UNL1111111111 0.1517 68 H -4.4089 -1.7649 -1.2351 H 1 UNL1111111111 0.1557 69 H -4.6579 -2.2099 0.4578 H 1 UNL1111111111 0.1687 70 H -2.2012 -2.3993 -2.1312 H 1 UNL1111111111 0.1838 71 H 0.8463 -1.2423 2.8276 H 1 UNL1111111111 0.1617 72 H 0.3423 -2.8839 3.2538 H 1 UNL1111111111 0.1612 73 H -0.7588 -1.5242 3.5265 H 1 UNL1111111111 0.1761 74 H 1.8910 -3.5641 1.1635 H 1 UNL1111111111 0.1639 75 H 2.1890 -1.8341 0.9185 H 1 UNL1111111111 0.1665 76 H 2.1240 -2.9346 -0.4704 H 1 UNL1111111111 0.1783 @BOND 1 1 24 2 2 2 28 2 3 3 4 1 4 3 8 1 5 3 12 1 6 3 31 1 7 4 6 1 8 4 32 1 9 4 33 1 10 5 7 1 11 5 9 1 12 5 14 1 13 5 34 1 14 6 7 1 15 6 35 1 16 6 36 1 17 7 37 1 18 7 38 1 19 8 10 1 20 8 39 1 21 8 40 1 22 9 13 1 23 9 41 1 24 9 42 1 25 10 11 1 26 10 43 1 27 10 44 1 28 11 15 1 29 11 45 1 30 11 46 1 31 12 47 1 32 12 48 1 33 12 49 1 34 13 16 1 35 13 50 1 36 13 51 1 37 14 52 1 38 14 53 1 39 14 54 1 40 15 17 1 41 15 18 1 42 15 55 1 43 16 19 1 44 16 56 1 45 16 57 1 46 17 58 1 47 17 59 1 48 17 60 1 49 18 61 1 50 18 62 1 51 18 63 1 52 19 20 2 53 19 21 1 54 20 22 1 55 20 64 1 56 21 65 1 57 21 66 1 58 21 67 1 59 22 23 1 60 22 68 1 61 22 69 1 62 23 24 1 63 23 25 2 64 24 26 1 65 25 28 1 66 25 70 1 67 26 27 2 68 26 29 1 69 27 28 1 70 27 30 1 71 29 71 1 72 29 72 1 73 29 73 1 74 30 74 1 75 30 75 1 76 30 76 1