@MOLECULE 5-benzyl-5-hydroxy-3-({3,4a,6-trimethyl-2-[(2e,4e)-4-methyl-2,4-hexadien-2-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-1,5-dihydro-2h-pyrrol-2-one 77 80 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0915 0.8442 2.8432 O.2 1 UNL1 -0.4777 2 O -2.1929 -2.8640 1.8371 O.3 1 UNL1 -0.5531 3 O 0.2924 -0.7481 -1.2053 O.2 1 UNL1 -0.4637 4 N -1.4344 -1.6789 -0.0434 N.am 1 UNL1 -0.6804 5 C 4.0086 -0.1483 -0.8632 C.3 1 UNL1 0.1019 6 C 2.9922 -0.4771 0.2501 C.3 1 UNL1 -0.1275 7 C 2.3985 0.7852 0.8961 C.3 1 UNL1 -0.2112 8 C 4.4261 -1.4652 -1.5704 C.3 1 UNL1 -0.3085 9 C 3.5897 -1.3769 1.3472 C.3 1 UNL1 -0.2757 10 C 4.3797 -2.7288 -0.6873 C.3 1 UNL1 -0.0677 11 C 2.1419 1.9846 -0.0652 C.3 1 UNL1 -0.1265 12 C 4.5976 -2.3934 0.7949 C.3 1 UNL1 -0.2743 13 C 3.3243 0.7457 -1.8617 C.2 1 UNL1 -0.2419 14 C 5.2490 0.5927 -0.3348 C.3 1 UNL1 -0.4558 15 C 2.4363 1.6829 -1.5076 C.2 1 UNL1 0.0388 16 C 1.1616 0.4324 1.7023 C.2 1 UNL1 0.4967 17 C 3.0743 -3.5091 -0.8945 C.3 1 UNL1 -0.4527 18 C 0.7834 2.5863 0.2165 C.2 1 UNL1 0.0355 19 C 1.8093 2.5555 -2.5453 C.3 1 UNL1 -0.4525 20 C 0.0391 -0.4059 1.2325 C.2 1 UNL1 -0.2419 21 C 0.7996 3.6350 1.2788 C.3 1 UNL1 -0.4732 22 C -0.3300 2.2010 -0.4207 C.2 1 UNL1 -0.2430 23 C -0.9391 -0.8066 2.0677 C.2 1 UNL1 -0.0798 24 C -0.2672 -0.9008 -0.1521 C.2 1 UNL1 0.5985 25 C -2.0216 -1.5842 1.3019 C.3 1 UNL1 0.4598 26 C -1.6817 2.6864 -0.1355 C.2 1 UNL1 0.0243 27 C -3.3998 -0.9070 1.3842 C.3 1 UNL1 -0.3377 28 C -2.3662 3.3083 -1.3070 C.3 1 UNL1 -0.4477 29 C -2.2319 2.5296 1.0780 C.2 1 UNL1 -0.2036 30 C -4.1587 -1.0530 0.1038 C.ar 1 UNL1 0.0020 31 C -3.6089 2.9546 1.4484 C.3 1 UNL1 -0.4375 32 C -4.1252 -0.0282 -0.8441 C.ar 1 UNL1 -0.1746 33 C -4.8768 -2.2210 -0.1581 C.ar 1 UNL1 -0.1650 34 C -4.8041 -0.1732 -2.0506 C.ar 1 UNL1 -0.1435 35 C -5.5545 -2.3634 -1.3666 C.ar 1 UNL1 -0.1460 36 C -5.5178 -1.3414 -2.3138 C.ar 1 UNL1 -0.1521 37 H -0.2825 1.4686 -1.2349 H 1 UNL1 0.1837 38 H -1.6582 2.0738 1.8864 H 1 UNL1 0.1530 39 H -1.4448 -3.4610 1.6103 H 1 UNL1 0.3397 40 H -1.9653 -1.9957 -0.8337 H 1 UNL1 0.3388 41 H 2.1756 -1.0481 -0.2626 H 1 UNL1 0.1731 42 H 3.1543 1.1619 1.6452 H 1 UNL1 0.1689 43 H 5.4437 -1.3437 -1.9821 H 1 UNL1 0.1317 44 H 3.7708 -1.6286 -2.4492 H 1 UNL1 0.1483 45 H 2.7678 -1.9067 1.8647 H 1 UNL1 0.1307 46 H 4.0857 -0.7641 2.1237 H 1 UNL1 0.1350 47 H 5.2207 -3.3953 -1.0084 H 1 UNL1 0.1184 48 H 2.9159 2.7666 0.2067 H 1 UNL1 0.1582 49 H 4.5573 -3.3204 1.3961 H 1 UNL1 0.1296 50 H 5.6259 -2.0020 0.9216 H 1 UNL1 0.1314 51 H 3.5914 0.5817 -2.9007 H 1 UNL1 0.1482 52 H 5.8260 -0.0326 0.3527 H 1 UNL1 0.1461 53 H 4.9695 1.5064 0.1985 H 1 UNL1 0.1428 54 H 5.9105 0.8848 -1.1571 H 1 UNL1 0.1411 55 H 2.1933 -2.8900 -0.6836 H 1 UNL1 0.1554 56 H 3.0264 -4.3860 -0.2424 H 1 UNL1 0.1368 57 H 2.9804 -3.8564 -1.9287 H 1 UNL1 0.1399 58 H 1.4131 3.4918 -2.1323 H 1 UNL1 0.1542 59 H 0.9705 2.0337 -3.0326 H 1 UNL1 0.1651 60 H 2.5215 2.8259 -3.3357 H 1 UNL1 0.1486 61 H 1.5146 4.4355 1.0488 H 1 UNL1 0.1520 62 H 1.0839 3.2075 2.2554 H 1 UNL1 0.1763 63 H -0.1801 4.1139 1.4172 H 1 UNL1 0.1621 64 H -1.0258 -0.6446 3.1299 H 1 UNL1 0.1876 65 H -3.2784 0.1673 1.6496 H 1 UNL1 0.1791 66 H -3.9659 -1.3566 2.2323 H 1 UNL1 0.1848 67 H -1.7825 4.1593 -1.6897 H 1 UNL1 0.1575 68 H -3.3681 3.6848 -1.0682 H 1 UNL1 0.1507 69 H -2.4691 2.5923 -2.1356 H 1 UNL1 0.1567 70 H -4.3713 2.4961 0.8021 H 1 UNL1 0.1521 71 H -3.7275 4.0447 1.3607 H 1 UNL1 0.1528 72 H -3.8602 2.6905 2.4837 H 1 UNL1 0.1451 73 H -3.5576 0.8829 -0.6436 H 1 UNL1 0.1700 74 H -4.8973 -3.0226 0.5795 H 1 UNL1 0.1616 75 H -4.7734 0.6247 -2.7901 H 1 UNL1 0.1508 76 H -6.1114 -3.2755 -1.5718 H 1 UNL1 0.1495 77 H -6.0457 -1.4555 -3.2580 H 1 UNL1 0.1496 @BOND 1 60 19 1 2 77 36 1 3 59 19 1 4 51 13 1 5 75 34 1 6 19 58 1 7 19 15 1 8 44 8 1 9 36 34 ar 10 36 35 ar 11 69 28 1 12 34 32 ar 13 43 8 1 14 57 17 1 15 13 15 2 16 13 5 1 17 67 28 1 18 76 35 1 19 8 5 1 20 8 10 1 21 15 11 1 22 35 33 ar 23 28 68 1 24 28 26 1 25 37 22 1 26 3 24 2 27 54 14 1 28 47 10 1 29 17 10 1 30 17 55 1 31 17 56 1 32 5 14 1 33 5 6 1 34 32 73 1 35 32 30 ar 36 40 4 1 37 10 12 1 38 22 26 1 39 22 18 2 40 14 53 1 41 14 52 1 42 41 6 1 43 33 30 ar 44 33 74 1 45 24 4 am 46 24 20 1 47 26 29 2 48 11 48 1 49 11 18 1 50 11 7 1 51 4 25 1 52 30 27 1 53 18 21 1 54 6 7 1 55 6 9 1 56 12 50 1 57 12 9 1 58 12 49 1 59 70 31 1 60 7 42 1 61 7 16 1 62 61 21 1 63 29 31 1 64 29 38 1 65 20 16 1 66 20 23 2 67 21 63 1 68 21 62 1 69 25 27 1 70 25 2 1 71 25 23 1 72 9 45 1 73 9 46 1 74 71 31 1 75 27 65 1 76 27 66 1 77 31 72 1 78 39 2 1 79 16 1 2 80 23 64 1