@MOLECULE 1a-methyl-7a-[(2e,7r,11r)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione 80 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.9553 -0.2205 -0.3746 O.3 1 UNL1 -0.3021 2 O 4.8355 -0.4047 2.2537 O.2 1 UNL1 -0.4080 3 O 5.3239 1.8206 -2.5897 O.2 1 UNL1 -0.3991 4 C 5.6867 -0.7085 0.0662 C.3 1 UNL1 0.0524 5 C 5.8620 -0.0717 -1.2837 C.3 1 UNL1 0.0677 6 C 5.5382 -2.2002 0.2257 C.3 1 UNL1 -0.2680 7 C 5.1119 0.1096 1.1983 C.2 1 UNL1 0.4394 8 C 5.4136 1.3566 -1.4802 C.2 1 UNL1 0.4281 9 C 5.9353 -0.8635 -2.5498 C.3 1 UNL1 -0.4442 10 C 4.9219 1.5630 0.9802 C.ar 1 UNL1 -0.1118 11 C 5.0752 2.1524 -0.2782 C.ar 1 UNL1 -0.1102 12 C 4.1704 -2.5972 -0.2240 C.2 1 UNL1 -0.2558 13 C 4.5835 2.3513 2.0796 C.ar 1 UNL1 -0.0953 14 C 4.8959 3.5268 -0.4301 C.ar 1 UNL1 -0.0992 15 C 3.2089 -3.0809 0.5741 C.2 1 UNL1 0.0743 16 C 1.8363 -3.3392 0.0217 C.3 1 UNL1 -0.3016 17 C 4.4062 3.7267 1.9255 C.ar 1 UNL1 -0.1354 18 C 4.5642 4.3140 0.6733 C.ar 1 UNL1 -0.1329 19 C 0.9743 -2.0866 0.2563 C.3 1 UNL1 -0.2546 20 C -1.3089 -1.0279 -0.1082 C.3 1 UNL1 -0.0786 21 C -0.3899 -2.2255 -0.4248 C.3 1 UNL1 -0.2934 22 C 3.3913 -3.3519 2.0272 C.3 1 UNL1 -0.4685 23 C -2.7156 -1.3146 -0.6712 C.3 1 UNL1 -0.2918 24 C -3.7716 -0.3801 -0.0672 C.3 1 UNL1 -0.2682 25 C -6.2365 0.2622 -0.0986 C.3 1 UNL1 -0.0788 26 C -5.1462 -0.6525 -0.6919 C.3 1 UNL1 -0.2909 27 C -7.6252 -0.2865 -0.4847 C.3 1 UNL1 -0.2897 28 C -0.7418 0.2652 -0.7055 C.3 1 UNL1 -0.4501 29 C -8.7465 0.4119 0.2951 C.3 1 UNL1 -0.2700 30 C -6.0635 1.6993 -0.6040 C.3 1 UNL1 -0.4508 31 C -10.1135 -0.1776 -0.0752 C.3 1 UNL1 -0.2898 32 C -11.2647 0.5914 0.6016 C.3 1 UNL1 -0.0594 33 C -12.5518 -0.2424 0.5417 C.3 1 UNL1 -0.4574 34 C -11.4940 1.9468 -0.0788 C.3 1 UNL1 -0.4534 35 H 3.9866 -2.4372 -1.2851 H 1 UNL1 0.1504 36 H 5.7314 -2.4891 1.2837 H 1 UNL1 0.1749 37 H 6.3164 -2.7375 -0.3590 H 1 UNL1 0.1631 38 H 6.4326 -1.8326 -2.4090 H 1 UNL1 0.1653 39 H 6.5027 -0.3185 -3.3237 H 1 UNL1 0.1772 40 H 4.9340 -1.0521 -2.9645 H 1 UNL1 0.1680 41 H 4.4586 1.8854 3.0616 H 1 UNL1 0.1765 42 H 5.0141 3.9817 -1.4177 H 1 UNL1 0.1757 43 H 1.3713 -4.2233 0.4968 H 1 UNL1 0.1446 44 H 1.8747 -3.5752 -1.0595 H 1 UNL1 0.1453 45 H 4.1434 4.3390 2.7873 H 1 UNL1 0.1550 46 H 4.4286 5.3881 0.5514 H 1 UNL1 0.1554 47 H 1.5054 -1.1948 -0.1308 H 1 UNL1 0.1456 48 H 0.8487 -1.9143 1.3415 H 1 UNL1 0.1399 49 H -1.3800 -0.9145 0.9996 H 1 UNL1 0.1320 50 H -0.8757 -3.1632 -0.0947 H 1 UNL1 0.1349 51 H -0.2602 -2.3193 -1.5186 H 1 UNL1 0.1384 52 H 3.7777 -2.4620 2.5560 H 1 UNL1 0.1828 53 H 4.1119 -4.1644 2.1955 H 1 UNL1 0.1561 54 H 2.4589 -3.6349 2.5306 H 1 UNL1 0.1508 55 H -2.9964 -2.3650 -0.4663 H 1 UNL1 0.1352 56 H -2.7052 -1.2152 -1.7720 H 1 UNL1 0.1389 57 H -3.4827 0.6752 -0.2290 H 1 UNL1 0.1384 58 H -3.8171 -0.5163 1.0290 H 1 UNL1 0.1349 59 H -6.1460 0.2551 1.0134 H 1 UNL1 0.1315 60 H -5.4182 -1.7127 -0.5312 H 1 UNL1 0.1356 61 H -5.0980 -0.5161 -1.7877 H 1 UNL1 0.1387 62 H -7.6652 -1.3749 -0.2908 H 1 UNL1 0.1355 63 H -7.7870 -0.1668 -1.5714 H 1 UNL1 0.1385 64 H -0.5660 0.1671 -1.7819 H 1 UNL1 0.1443 65 H 0.2113 0.5374 -0.2382 H 1 UNL1 0.1440 66 H -1.4270 1.1070 -0.5595 H 1 UNL1 0.1416 67 H -8.7339 1.4976 0.0837 H 1 UNL1 0.1386 68 H -8.5726 0.3127 1.3824 H 1 UNL1 0.1346 69 H -6.1683 1.7563 -1.6927 H 1 UNL1 0.1439 70 H -5.0760 2.0967 -0.3468 H 1 UNL1 0.1414 71 H -6.8092 2.3703 -0.1648 H 1 UNL1 0.1416 72 H -10.1501 -1.2424 0.2215 H 1 UNL1 0.1364 73 H -10.2495 -0.1666 -1.1720 H 1 UNL1 0.1389 74 H -11.0018 0.7657 1.6724 H 1 UNL1 0.1286 75 H -12.8237 -0.4848 -0.4909 H 1 UNL1 0.1443 76 H -13.3946 0.2983 0.9852 H 1 UNL1 0.1425 77 H -12.4428 -1.1856 1.0868 H 1 UNL1 0.1408 78 H -11.7776 1.8239 -1.1294 H 1 UNL1 0.1441 79 H -10.5913 2.5663 -0.0514 H 1 UNL1 0.1421 80 H -12.2937 2.5082 0.4153 H 1 UNL1 0.1406 @BOND 1 39 9 1 2 40 9 1 3 3 8 2 4 9 38 1 5 9 5 1 6 61 26 1 7 64 28 1 8 56 23 1 9 69 30 1 10 63 27 1 11 51 21 1 12 8 5 1 13 8 11 1 14 42 14 1 15 35 12 1 16 5 1 1 17 5 4 1 18 73 31 1 19 78 34 1 20 44 16 1 21 28 66 1 22 28 65 1 23 28 20 1 24 26 60 1 25 26 25 1 26 26 24 1 27 23 55 1 28 23 20 1 29 23 24 1 30 30 70 1 31 30 71 1 32 30 25 1 33 75 33 1 34 27 62 1 35 27 25 1 36 27 29 1 37 14 11 ar 38 14 18 ar 39 21 20 1 40 21 50 1 41 21 19 1 42 1 4 1 43 37 6 1 44 11 10 ar 45 57 24 1 46 12 6 1 47 12 15 2 48 47 19 1 49 20 49 1 50 25 59 1 51 34 79 1 52 34 80 1 53 34 32 1 54 31 72 1 55 31 29 1 56 31 32 1 57 24 58 1 58 16 19 1 59 16 43 1 60 16 15 1 61 4 6 1 62 4 7 1 63 67 29 1 64 6 36 1 65 19 48 1 66 29 68 1 67 33 32 1 68 33 76 1 69 33 77 1 70 46 18 1 71 15 22 1 72 32 74 1 73 18 17 ar 74 10 7 1 75 10 13 ar 76 7 2 2 77 17 13 ar 78 17 45 1 79 22 53 1 80 22 54 1 81 22 52 1 82 13 41 1