@MOLECULE n,5-dimethyl-2-{(4r,4's,4''s)-4,4',4''-trimethyl-2''-[(e)-2-phenylvinyl]-4,4',4'',5,5',5''-hexahydro-2,4':2',4''-ter-1,3-thiazol-4-yl}-1,3-oxazole-4-carboxamide 65 69 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.8914 0.0678 -1.3951 C.3 1 UNL1 0.2342 2 C -0.6434 0.5151 0.4832 C.3 1 UNL1 0.2211 3 C 2.6342 -1.2716 -0.1153 C.3 1 UNL1 0.2120 4 C 9.5154 -0.4550 -0.2582 C.ar 1 UNL1 -0.1484 5 C 8.4550 1.7181 -0.3714 C.ar 1 UNL1 -0.1435 6 C 10.7658 0.1566 -0.2851 C.ar 1 UNL1 -0.1465 7 C 9.7085 2.3243 -0.4078 C.ar 1 UNL1 -0.1468 8 C 10.8636 1.5455 -0.3626 C.ar 1 UNL1 -0.1465 9 C -4.0836 0.6859 -2.7850 C.3 1 UNL1 -0.4467 10 C -1.0788 0.7988 1.9281 C.3 1 UNL1 -0.4483 11 C 2.4002 -2.1607 -1.3446 C.3 1 UNL1 -0.4511 12 C -6.3547 1.6137 2.5072 C.3 1 UNL1 -0.4509 13 C -10.6609 -0.5634 -0.5867 C.3 1 UNL1 -0.2233 14 H -8.7054 -0.6666 -1.4330 H 1 UNL1 0.3286 15 C -7.1204 0.4151 0.2957 C.ar 1 UNL1 -0.1480 16 C -5.1294 0.2943 -0.5801 C.ar 1 UNL1 0.2247 17 C -6.2458 0.9893 1.1947 C.ar 1 UNL1 0.2018 18 C 8.3561 0.3261 -0.2976 C.ar 1 UNL1 -0.0222 19 O -9.1755 0.6404 1.4178 O.2 1 UNL1 -0.5627 20 C -3.6101 -1.4627 -1.4775 C.3 1 UNL1 -0.3907 21 C -0.0513 1.7840 -0.1919 C.3 1 UNL1 -0.3768 22 C 2.7456 -2.1233 1.1846 C.3 1 UNL1 -0.3726 23 C -8.5760 0.2518 0.4281 C.2 1 UNL1 0.6192 24 C -1.8436 -0.0024 -0.2782 C.2 1 UNL1 0.1432 25 C 1.4954 -0.2808 -0.0200 C.2 1 UNL1 0.1409 26 C 4.7766 -0.6284 0.5664 C.2 1 UNL1 0.1901 27 C 6.0715 0.0333 0.5686 C.2 1 UNL1 -0.1897 28 C 7.0456 -0.3242 -0.2776 C.2 1 UNL1 -0.0922 29 N -9.2148 -0.3663 -0.6158 N.am 1 UNL1 -0.5519 30 N -6.3839 -0.0192 -0.8241 N.ar 1 UNL1 -0.3927 31 S -2.0443 -1.7734 -0.5622 S.3 1 UNL1 0.0502 32 S 1.6744 1.3817 -0.6919 S.3 1 UNL1 0.0457 33 S 4.3737 -1.7414 1.9436 S.3 1 UNL1 -0.0294 34 N -2.7722 0.7544 -0.7296 N.2 1 UNL1 -0.4357 35 N 0.3609 -0.5621 0.5026 N.2 1 UNL1 -0.4465 36 N 3.8711 -0.5018 -0.3272 N.2 1 UNL1 -0.4184 37 O -4.9766 0.9206 0.6548 O.2 1 UNL1 -0.1925 38 H -4.4286 -2.0603 -1.0397 H 1 UNL1 0.1857 39 H -3.5057 -1.7964 -2.5232 H 1 UNL1 0.1782 40 H -0.6376 2.0952 -1.0759 H 1 UNL1 0.1908 41 H -0.0517 2.6462 0.4951 H 1 UNL1 0.1786 42 H 1.9294 -1.8987 1.8977 H 1 UNL1 0.1962 43 H 2.6715 -3.2018 0.9678 H 1 UNL1 0.1782 44 H 6.1884 0.8365 1.3022 H 1 UNL1 0.1837 45 H 6.9103 -1.1296 -1.0064 H 1 UNL1 0.1665 46 H -4.2078 1.7773 -2.7142 H 1 UNL1 0.1753 47 H -3.2151 0.5047 -3.4291 H 1 UNL1 0.1617 48 H -4.9774 0.2820 -3.2794 H 1 UNL1 0.1702 49 H -0.2406 1.1659 2.5327 H 1 UNL1 0.1634 50 H -1.8816 1.5471 1.9575 H 1 UNL1 0.1674 51 H -1.4508 -0.1127 2.4184 H 1 UNL1 0.1734 52 H 2.3972 -1.5650 -2.2696 H 1 UNL1 0.1754 53 H 3.1931 -2.9099 -1.4535 H 1 UNL1 0.1605 54 H 1.4364 -2.6828 -1.2780 H 1 UNL1 0.1709 55 H -5.7780 1.0732 3.2773 H 1 UNL1 0.1802 56 H -5.9945 2.6571 2.5036 H 1 UNL1 0.1813 57 H -7.4149 1.6328 2.8438 H 1 UNL1 0.2088 58 H -11.0589 -0.4175 0.4384 H 1 UNL1 0.1748 59 H -11.1690 0.1616 -1.2469 H 1 UNL1 0.1383 60 H -10.9158 -1.5864 -0.9101 H 1 UNL1 0.1371 61 H 9.4395 -1.5393 -0.2012 H 1 UNL1 0.1548 62 H 7.5515 2.3255 -0.4102 H 1 UNL1 0.1605 63 H 11.6685 -0.4504 -0.2469 H 1 UNL1 0.1501 64 H 9.7856 3.4081 -0.4714 H 1 UNL1 0.1507 65 H 11.8418 2.0209 -0.3882 H 1 UNL1 0.1495 @BOND 1 47 9 1 2 48 9 1 3 9 46 1 4 9 1 1 5 39 20 1 6 52 11 1 7 20 1 1 8 20 38 1 9 20 31 1 10 53 11 1 11 14 29 1 12 1 34 1 13 1 16 1 14 11 54 1 15 11 3 1 16 59 13 1 17 40 21 1 18 45 28 1 19 60 13 1 20 30 16 ar 21 30 15 ar 22 34 24 2 23 32 21 1 24 32 25 1 25 29 13 1 26 29 23 am 27 13 58 1 28 16 37 ar 29 31 24 1 30 64 7 1 31 62 5 1 32 7 5 ar 33 7 8 ar 34 65 8 1 35 5 18 ar 36 8 6 ar 37 36 3 1 38 36 26 2 39 18 28 1 40 18 4 ar 41 6 4 ar 42 6 63 1 43 24 2 1 44 28 27 2 45 4 61 1 46 21 2 1 47 21 41 1 48 3 25 1 49 3 22 1 50 25 35 2 51 15 23 1 52 15 17 ar 53 23 19 2 54 2 35 1 55 2 10 1 56 26 27 1 57 26 33 1 58 27 44 1 59 37 17 ar 60 43 22 1 61 22 42 1 62 22 33 1 63 17 12 1 64 10 50 1 65 10 51 1 66 10 49 1 67 56 12 1 68 12 57 1 69 12 55 1