@MOLECULE (2z,4r,5s,6e)-3,5-dimethoxy-4-methyl-7-{2'-[(2s,3e,5e)-7-methyl-3,5-octadien-2-yl]-2,4'-bi-1,3-thiazol-4-yl}-2,6-heptadienamide 66 67 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 4.6255 -1.3194 -1.7968 C.3 1 UNL1 -0.0967 2 C -5.4718 -1.0695 0.8566 C.3 1 UNL1 0.0904 3 C -5.5296 0.3672 1.4447 C.3 1 UNL1 -0.1788 4 C 1.0088 0.1475 -1.1399 C.ar 1 UNL1 -0.2842 5 C -1.1994 -3.5415 1.3154 C.ar 1 UNL1 -0.3782 6 C 4.7073 -1.7092 -3.2786 C.3 1 UNL1 -0.4422 7 C -4.6848 0.4909 2.7123 C.3 1 UNL1 -0.4450 8 C -7.5830 -1.2384 -0.2347 C.3 1 UNL1 -0.2060 9 C -2.8063 1.4192 -0.0715 C.3 1 UNL1 -0.1773 10 C 8.1240 2.9553 2.8666 C.3 1 UNL1 -0.4472 11 C 9.9793 1.6245 1.7884 C.3 1 UNL1 -0.4469 12 H -4.6323 3.8552 -2.6303 H 1 UNL1 0.3074 13 H -4.6604 2.2296 -2.0749 H 1 UNL1 0.3221 14 C 1.1369 -1.1195 -0.6275 C.ar 1 UNL1 0.0895 15 C 0.1250 -1.8771 0.0657 C.ar 1 UNL1 0.0640 16 C 3.2268 -0.9349 -1.4520 C.ar 1 UNL1 0.1015 17 C -1.8637 -2.3800 0.9926 C.ar 1 UNL1 0.1531 18 O -5.5071 4.8175 -0.4994 O.2 1 UNL1 -0.5509 19 C -5.1024 1.3999 0.4390 C.2 1 UNL1 0.3170 20 C -5.3455 3.6264 -0.6949 C.2 1 UNL1 0.6213 21 O -6.1852 -1.0816 -0.3742 O.3 1 UNL1 -0.3672 22 O -4.1197 0.9908 -0.4256 O.2 1 UNL1 -0.3842 23 C 8.5845 2.2350 1.5924 C.3 1 UNL1 -0.0806 24 C -3.2382 -2.0551 1.3411 C.2 1 UNL1 -0.2276 25 C -4.0810 -1.4813 0.4746 C.2 1 UNL1 -0.0730 26 C 5.5706 -0.1996 -1.4729 C.2 1 UNL1 -0.1914 27 C -5.6992 2.5923 0.2950 C.2 1 UNL1 -0.4189 28 C 6.0648 -0.0182 -0.2406 C.2 1 UNL1 -0.1311 29 C 6.9935 1.0576 0.0733 C.2 1 UNL1 -0.2002 30 C 7.6128 1.1424 1.2584 C.2 1 UNL1 -0.1247 31 N 2.3953 -1.7151 -0.8086 N.ar 1 UNL1 -0.3914 32 N -1.1038 -1.4444 0.2853 N.ar 1 UNL1 -0.3871 33 N -4.8562 3.1977 -1.9153 N.am 1 UNL1 -0.6926 34 S 0.4216 -3.4977 0.7237 S.2 1 UNL1 0.2832 35 S 2.4927 0.6424 -1.8795 S.2 1 UNL1 0.1854 36 H 0.1257 0.7655 -1.0999 H 1 UNL1 0.2043 37 H -1.6023 -4.3804 1.8506 H 1 UNL1 0.1889 38 H 4.8998 -2.2300 -1.1844 H 1 UNL1 0.1834 39 H -3.5241 -2.3045 2.3630 H 1 UNL1 0.1583 40 H -5.9297 -1.7879 1.5741 H 1 UNL1 0.1260 41 H -6.6020 0.5626 1.7150 H 1 UNL1 0.1558 42 H -3.8036 -1.2668 -0.5644 H 1 UNL1 0.1918 43 H 5.8384 0.4474 -2.3053 H 1 UNL1 0.1565 44 H 5.7166 -2.0562 -3.5329 H 1 UNL1 0.1554 45 H 4.0104 -2.5252 -3.5117 H 1 UNL1 0.1593 46 H 4.4719 -0.8727 -3.9456 H 1 UNL1 0.1521 47 H -6.5285 2.8947 0.9373 H 1 UNL1 0.1913 48 H -4.7421 1.5029 3.1334 H 1 UNL1 0.1568 49 H -5.0203 -0.2068 3.4874 H 1 UNL1 0.1469 50 H -3.6238 0.2769 2.5193 H 1 UNL1 0.1655 51 H 5.7890 -0.6764 0.5868 H 1 UNL1 0.1537 52 H -7.9318 -1.2106 -1.2766 H 1 UNL1 0.1519 53 H -7.8275 -2.2026 0.2204 H 1 UNL1 0.1202 54 H -8.0268 -0.4128 0.3287 H 1 UNL1 0.1208 55 H 7.1647 1.7922 -0.7143 H 1 UNL1 0.1522 56 H -2.7526 2.5082 0.0057 H 1 UNL1 0.1336 57 H -2.4843 0.9267 0.8537 H 1 UNL1 0.1444 58 H -2.2057 1.0410 -0.9106 H 1 UNL1 0.1551 59 H 7.4504 0.4143 2.0518 H 1 UNL1 0.1470 60 H 8.6363 2.9817 0.7608 H 1 UNL1 0.1378 61 H 7.1166 3.3696 2.7439 H 1 UNL1 0.1480 62 H 8.1002 2.2793 3.7280 H 1 UNL1 0.1466 63 H 8.7957 3.7835 3.1163 H 1 UNL1 0.1454 64 H 10.3077 1.0930 0.8880 H 1 UNL1 0.1465 65 H 10.7224 2.3987 2.0076 H 1 UNL1 0.1458 66 H 9.9941 0.9093 2.6179 H 1 UNL1 0.1467 @BOND 1 46 6 1 2 44 6 1 3 45 6 1 4 6 1 1 5 12 33 1 6 43 26 1 7 13 33 1 8 33 20 am 9 35 16 ar 10 35 4 ar 11 1 26 1 12 1 16 1 13 1 38 1 14 26 28 2 15 16 31 ar 16 52 8 1 17 4 36 1 18 4 14 ar 19 58 9 1 20 31 14 ar 21 55 29 1 22 20 18 2 23 20 27 1 24 14 15 1 25 42 25 1 26 22 9 1 27 22 19 1 28 21 8 1 29 21 2 1 30 28 29 1 31 28 51 1 32 8 53 1 33 8 54 1 34 9 56 1 35 9 57 1 36 15 32 ar 37 15 34 ar 38 29 30 2 39 32 17 ar 40 27 19 2 41 27 47 1 42 19 3 1 43 25 2 1 44 25 24 2 45 34 5 ar 46 60 23 1 47 2 3 1 48 2 40 1 49 64 11 1 50 17 5 ar 51 17 24 1 52 30 23 1 53 30 59 1 54 5 37 1 55 24 39 1 56 3 41 1 57 3 7 1 58 23 11 1 59 23 10 1 60 11 65 1 61 11 66 1 62 50 7 1 63 7 48 1 64 7 49 1 65 61 10 1 66 10 63 1 67 10 62 1