@MOLECULE 2-methoxy-3,5-dimethyl-6-{(5z)-5-[(2e)-2-methyl-3-(4-nitrophenyl)-2-propen-1-ylidene]tetrahydro-2-furanyl}-4h-pyran-4-one 52 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3010 -1.7768 0.8703 O.2 1 UNL1 -0.3064 2 O -2.2299 0.1277 -0.4260 O.2 1 UNL1 -0.2865 3 O -1.5393 1.4823 -2.0942 O.3 1 UNL1 -0.2736 4 O -5.0646 2.7945 0.7338 O.2 1 UNL1 -0.4615 5 O 6.0306 2.6936 0.6920 O.2 1 UNL1 -0.4053 6 O 7.2078 0.9211 0.3793 O.2 1 UNL1 -0.4078 7 N 6.1350 1.4900 0.5126 N.pl3 1 UNL1 0.6271 8 C -2.6172 -1.4088 1.3040 C.3 1 UNL1 0.0897 9 C -3.5711 -2.5332 0.8585 C.3 1 UNL1 -0.2980 10 C -2.7454 -3.3423 -0.1577 C.3 1 UNL1 -0.3173 11 C -1.3766 -2.7410 -0.0947 C.2 1 UNL1 0.2711 12 C -2.9891 -0.0859 0.6936 C.ar 1 UNL1 0.1462 13 C -3.9250 0.7712 1.1370 C.ar 1 UNL1 -0.2091 14 C -0.3015 -3.0244 -0.8490 C.2 1 UNL1 -0.3689 15 C -4.1857 2.0324 0.3977 C.ar 1 UNL1 0.4912 16 C -3.3075 2.2660 -0.7433 C.ar 1 UNL1 -0.3209 17 C -4.7279 0.5204 2.3583 C.3 1 UNL1 -0.4188 18 C -2.3918 1.3249 -1.0697 C.ar 1 UNL1 0.4059 19 C 0.9591 -2.3039 -0.8091 C.2 1 UNL1 0.1207 20 C -3.4372 3.5372 -1.4957 C.3 1 UNL1 -0.3849 21 C 1.3763 -1.6072 0.2633 C.2 1 UNL1 -0.2937 22 C 1.7532 -2.3863 -2.0755 C.3 1 UNL1 -0.4636 23 C 2.6055 -0.8232 0.3181 C.ar 1 UNL1 0.1052 24 C -0.5861 0.4330 -2.2897 C.3 1 UNL1 -0.2003 25 C 3.8567 -1.4479 0.2425 C.ar 1 UNL1 -0.2020 26 C 2.5226 0.5671 0.4720 C.ar 1 UNL1 -0.2016 27 C 5.0202 -0.6927 0.3098 C.ar 1 UNL1 -0.0727 28 C 3.6796 1.3325 0.5350 C.ar 1 UNL1 -0.0657 29 C 4.9221 0.6952 0.4508 C.ar 1 UNL1 -0.1094 30 H -0.3618 -3.8371 -1.5737 H 1 UNL1 0.1748 31 H 0.7985 -1.5800 1.1912 H 1 UNL1 0.1834 32 H -2.5138 -1.3199 2.4107 H 1 UNL1 0.1696 33 H -4.5011 -2.1398 0.4124 H 1 UNL1 0.1667 34 H -3.8802 -3.1565 1.7146 H 1 UNL1 0.1561 35 H -3.1699 -3.2724 -1.1782 H 1 UNL1 0.1714 36 H -2.7267 -4.4206 0.0896 H 1 UNL1 0.1693 37 H -4.1126 0.5706 3.2692 H 1 UNL1 0.1575 38 H -5.2322 -0.4546 2.3393 H 1 UNL1 0.1476 39 H -5.5224 1.2833 2.4798 H 1 UNL1 0.1896 40 H -4.4501 3.9632 -1.3862 H 1 UNL1 0.1726 41 H -3.2480 3.4096 -2.5706 H 1 UNL1 0.1503 42 H -2.7331 4.2973 -1.1225 H 1 UNL1 0.1551 43 H 2.2175 -3.3787 -2.1778 H 1 UNL1 0.1638 44 H 2.5641 -1.6459 -2.1218 H 1 UNL1 0.1633 45 H 1.1223 -2.2307 -2.9613 H 1 UNL1 0.1568 46 H 0.0363 0.8429 -3.0962 H 1 UNL1 0.1594 47 H -1.0881 -0.4881 -2.6010 H 1 UNL1 0.1428 48 H 0.0097 0.2584 -1.3844 H 1 UNL1 0.1563 49 H 3.9098 -2.5307 0.1369 H 1 UNL1 0.1677 50 H 1.5455 1.0447 0.5428 H 1 UNL1 0.1703 51 H 6.0023 -1.1726 0.2534 H 1 UNL1 0.1821 52 H 3.6250 2.4198 0.6498 H 1 UNL1 0.1842 @BOND 1 46 24 1 2 45 22 1 3 47 24 1 4 41 20 1 5 24 3 1 6 24 48 1 7 43 22 1 8 44 22 1 9 3 18 1 10 22 19 1 11 30 14 1 12 20 40 1 13 20 42 1 14 20 16 1 15 35 10 1 16 18 16 ar 17 18 2 ar 18 14 19 1 19 14 11 2 20 19 21 2 21 16 15 ar 22 2 12 ar 23 10 11 1 24 10 36 1 25 10 9 1 26 11 1 1 27 49 25 1 28 25 27 ar 29 25 23 ar 30 51 27 1 31 21 23 1 32 21 31 1 33 27 29 ar 34 23 26 ar 35 6 7 2 36 15 4 2 37 15 13 ar 38 33 9 1 39 29 7 1 40 29 28 ar 41 26 28 ar 42 26 50 1 43 7 5 2 44 28 52 1 45 12 13 ar 46 12 8 1 47 9 8 1 48 9 34 1 49 1 8 1 50 13 17 1 51 8 32 1 52 38 17 1 53 17 39 1 54 17 37 1