@MOLECULE 7-({(2e)-5-[(1r,3r)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl]-3-methyl-2-penten-1-yl}oxy)-2h-chromen-2-one 58 60 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.8687 1.0725 2.0759 O.3 1 UNL1 -0.5649 2 O 1.8231 0.4251 0.1086 O.3 1 UNL1 -0.3201 3 O 6.3302 -1.0467 0.1662 O.2 1 UNL1 -0.3694 4 O 8.3755 -1.7993 0.0813 O.2 1 UNL1 -0.4150 5 C -5.9799 -0.4562 0.5277 C.3 1 UNL1 0.0752 6 C -4.8778 -0.6824 -0.5449 C.3 1 UNL1 -0.1602 7 C -5.7713 0.9321 1.1866 C.3 1 UNL1 0.1386 8 C -5.7800 2.0783 0.1669 C.3 1 UNL1 -0.3295 9 C -4.8588 0.4776 -1.5072 C.2 1 UNL1 0.0609 10 C -3.4806 -0.8741 0.0729 C.3 1 UNL1 -0.2662 11 C -4.7037 1.8381 -0.8943 C.3 1 UNL1 -0.2865 12 C -7.3513 -0.5260 -0.1590 C.3 1 UNL1 -0.4581 13 C -5.9247 -1.5215 1.6276 C.3 1 UNL1 -0.4602 14 C -2.4401 -1.1535 -1.0187 C.3 1 UNL1 -0.2998 15 C -4.9545 0.3044 -2.8281 C.2 1 UNL1 -0.3964 16 C -1.0906 -1.4183 -0.4249 C.2 1 UNL1 0.0746 17 C -0.9875 -2.6042 0.4741 C.3 1 UNL1 -0.4625 18 C -0.0512 -0.6267 -0.7155 C.2 1 UNL1 -0.2732 19 C 1.3446 -0.8829 -0.2631 C.3 1 UNL1 -0.0314 20 C 3.1539 0.6039 0.1585 C.ar 1 UNL1 0.3421 21 C 4.1005 -0.4132 0.1730 C.ar 1 UNL1 -0.4182 22 C 3.5205 1.9751 0.1861 C.ar 1 UNL1 -0.3114 23 C 5.4486 -0.0294 0.1623 C.ar 1 UNL1 0.3697 24 C 5.8519 1.3182 0.1326 C.ar 1 UNL1 -0.2823 25 C 4.8534 2.3143 0.1555 C.ar 1 UNL1 0.0007 26 C 7.2547 1.5985 0.0712 C.ar 1 UNL1 0.0372 27 C 8.1447 0.5839 0.0535 C.ar 1 UNL1 -0.3778 28 C 7.7148 -0.7980 0.0951 C.ar 1 UNL1 0.6011 29 H -5.1409 -1.6224 -1.0962 H 1 UNL1 0.1501 30 H -4.8385 0.9425 1.7905 H 1 UNL1 0.1129 31 H -5.6204 3.0485 0.6672 H 1 UNL1 0.1377 32 H -6.7795 2.1469 -0.3052 H 1 UNL1 0.1609 33 H -3.4984 -1.7121 0.7958 H 1 UNL1 0.1465 34 H -3.1800 0.0178 0.6529 H 1 UNL1 0.1435 35 H -3.6952 1.9271 -0.4380 H 1 UNL1 0.1535 36 H -4.7457 2.6313 -1.6692 H 1 UNL1 0.1487 37 H -8.1509 -0.2296 0.5393 H 1 UNL1 0.1661 38 H -7.5746 -1.5389 -0.5089 H 1 UNL1 0.1413 39 H -7.4093 0.1416 -1.0251 H 1 UNL1 0.1485 40 H -6.7804 -1.4045 2.3115 H 1 UNL1 0.1670 41 H -5.0248 -1.4363 2.2495 H 1 UNL1 0.1418 42 H -5.9628 -2.5351 1.2167 H 1 UNL1 0.1423 43 H -2.4100 -0.2986 -1.7292 H 1 UNL1 0.1578 44 H -2.7530 -2.0212 -1.6345 H 1 UNL1 0.1536 45 H -6.8403 1.9287 2.5317 H 1 UNL1 0.3097 46 H -5.0640 -0.6569 -3.3016 H 1 UNL1 0.1484 47 H -4.9386 1.1127 -3.5398 H 1 UNL1 0.1488 48 H -0.0328 -3.1369 0.3660 H 1 UNL1 0.1544 49 H -1.0733 -2.2919 1.5278 H 1 UNL1 0.1653 50 H -1.7785 -3.3447 0.2929 H 1 UNL1 0.1582 51 H -0.1620 0.2670 -1.3298 H 1 UNL1 0.1685 52 H 1.9550 -1.2971 -1.0914 H 1 UNL1 0.1433 53 H 1.4284 -1.5269 0.6290 H 1 UNL1 0.1391 54 H 3.8443 -1.4652 0.1952 H 1 UNL1 0.1936 55 H 2.7355 2.7262 0.2064 H 1 UNL1 0.1794 56 H 5.1524 3.3644 0.1340 H 1 UNL1 0.1533 57 H 7.5723 2.6437 0.0384 H 1 UNL1 0.1564 58 H 9.2240 0.7377 0.0043 H 1 UNL1 0.1924 @BOND 1 47 15 1 2 46 15 1 3 15 9 2 4 43 14 1 5 36 11 1 6 44 14 1 7 9 11 1 8 9 6 1 9 51 18 1 10 29 6 1 11 52 19 1 12 39 12 1 13 14 16 1 14 14 10 1 15 11 35 1 16 11 8 1 17 18 16 2 18 18 19 1 19 6 10 1 20 6 5 1 21 38 12 1 22 16 17 1 23 32 8 1 24 19 2 1 25 19 53 1 26 12 5 1 27 12 37 1 28 58 27 1 29 57 26 1 30 27 26 ar 31 27 28 ar 32 26 24 ar 33 10 34 1 34 10 33 1 35 4 28 2 36 28 3 ar 37 2 20 1 38 24 25 ar 39 24 23 ar 40 56 25 1 41 25 22 ar 42 20 21 ar 43 20 22 ar 44 23 3 ar 45 23 21 ar 46 8 31 1 47 8 7 1 48 21 54 1 49 22 55 1 50 50 17 1 51 48 17 1 52 17 49 1 53 5 7 1 54 5 13 1 55 7 30 1 56 7 1 1 57 42 13 1 58 13 41 1 59 13 40 1 60 1 45 1