@MOLECULE 3-[(4e)-4-{(2e,4e,6e,8e,10e)-13-[(2,6-dideoxy-beta-d-ribo-hexopyranosyl)oxy]-1-hydroxy-10,12,14-trimethyl-2,4,6,8,10-pentadecapentaen-1-ylidene}-1-methyl-3,5-dioxo-2-pyrrolidinyl]propanoic acid 42 43 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 15.2082 0.0854 -0.1667 O.2 1 UNL1 -0.3511 2 C 14.9875 -1.0022 -0.5443 C.1 1 UNL1 0.6903 3 O 14.9049 -2.1000 -0.9442 O.2 1 UNL1 -0.3604 4 C 12.5857 -0.8071 -0.2815 C.1 1 UNL1 0.3431 5 C 11.3159 -0.7089 -0.3026 C.1 1 UNL1 -0.6844 6 C 10.0083 -0.5342 -0.4017 C.3 1 UNL1 0.4848 7 N 9.1620 -1.4885 -0.8970 N.1 1 UNL1 -0.5998 8 C 8.5028 -2.4211 -1.2568 C.1 1 UNL1 0.4413 9 C 7.5156 2.1855 0.4774 C.1 1 UNL1 0.6117 10 O 7.0257 3.2228 0.4496 O.2 1 UNL1 -0.1404 11 C 8.0691 0.9657 0.4849 C.2 1 UNL1 -0.5767 12 C 7.3446 -0.1900 1.0320 C.2 1 UNL1 0.5658 13 C 5.9236 -0.0817 0.9768 C.1 1 UNL1 -0.2185 14 C 4.7114 -0.0344 0.8914 C.1 1 UNL1 0.0986 15 C 3.3662 0.0427 0.7730 C.1 1 UNL1 -0.0925 16 C 2.1536 0.1127 0.6475 C.1 1 UNL1 0.0849 17 C 0.8141 0.1974 0.4991 C.1 1 UNL1 -0.0927 18 C -0.3972 0.2755 0.3583 C.1 1 UNL1 0.0925 19 C -1.7376 0.3652 0.2020 C.1 1 UNL1 -0.1073 20 C -2.9464 0.4495 0.0628 C.1 1 UNL1 0.0895 21 C -4.3260 0.5492 -0.0881 C.ar 1 UNL1 -0.4062 22 C -5.0093 1.6888 -0.3451 C.ar 1 UNL1 0.2757 23 C -6.3653 1.8385 -0.4854 C.ar 1 UNL1 -0.5267 24 C -7.0813 0.6280 -0.3408 C.ar 1 UNL1 0.3224 25 C -8.5477 0.8782 -0.4934 C.ar 1 UNL1 -0.1263 26 C -8.5660 2.2123 -0.7124 C.ar 1 UNL1 -0.0131 27 C -9.5634 -0.1037 -0.4099 C.3 1 UNL1 -0.0569 28 O -6.4731 -0.5211 -0.0960 O.2 1 UNL1 -0.2261 29 C -10.1406 -2.5904 -0.1388 C.2 1 UNL1 0.1386 30 C -9.4405 -1.4092 -0.2659 C.2 1 UNL1 -0.1064 31 C -11.0149 0.3126 -0.5332 C.2 1 UNL1 0.3377 32 O -11.3927 1.0752 -1.3714 O.2 1 UNL1 -0.2965 33 C -11.9740 -0.3316 0.4769 C.2 1 UNL1 0.4112 34 C -12.3133 -1.7318 0.3584 C.2 1 UNL1 -0.7241 35 O -11.3305 -2.7722 0.0916 O.2 1 UNL1 0.0996 36 C -13.5316 -2.2254 0.5645 C.2 1 UNL1 0.5588 37 O -12.4554 0.3903 1.3133 O.2 1 UNL1 -0.3704 38 C -7.2730 2.9831 -0.7428 C.ar 1 UNL1 0.3760 39 C -5.1450 -0.6466 0.0427 C.ar 1 UNL1 0.3885 40 O 7.9136 -1.1684 1.4541 O.2 1 UNL1 -0.3970 41 C 9.4164 0.8372 -0.0513 C.2 1 UNL1 0.4658 42 O 10.0926 1.8118 -0.2857 O.2 1 UNL1 -0.4032 @BOND 1 32 31 2 2 8 7 3 3 3 2 2 4 7 6 1 5 38 26 ar 6 38 23 ar 7 26 25 ar 8 2 1 2 9 31 27 1 10 31 33 1 11 25 27 1 12 25 24 ar 13 23 22 ar 14 23 24 1 15 27 30 1 16 6 5 1 17 6 41 1 18 22 21 ar 19 24 28 ar 20 5 4 3 21 42 41 2 22 30 29 2 23 29 35 1 24 28 39 ar 25 21 39 ar 26 21 20 1 27 41 11 1 28 20 19 3 29 35 34 1 30 19 18 1 31 18 17 3 32 34 33 1 33 34 36 2 34 10 9 2 35 33 37 2 36 9 11 2 37 11 12 1 38 17 16 1 39 16 15 3 40 15 14 1 41 14 13 3 42 13 12 1 43 12 40 2