@MOLECULE (1e)-1-{[1,3-dihydroxy-2-(hydroxymethyl)-2-propanyl]imino}-8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1h)-one 32 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.0971 -3.9209 0.1476 C.2 1 UNL1 0.3309 2 O -0.1607 -3.8623 -0.0170 O.3 1 UNL1 -0.1624 3 C -0.8986 -2.6894 0.0035 C.ar 1 UNL1 0.1146 4 C -0.2396 -1.4686 0.2445 C.ar 1 UNL1 -0.1898 5 C 1.1882 -1.4671 0.4822 C.3 1 UNL1 -0.0083 6 C 1.6161 -0.1863 0.7674 C.2 1 UNL1 0.0030 7 C 4.5415 -2.9126 0.6497 C.1 1 UNL1 0.1080 8 N 5.7085 -3.0079 0.7541 N.1 1 UNL1 -0.1679 9 C 9.3347 7.1841 0.5170 C.3 2 UNL2 0.0000 10 C 4.6882 0.7331 -0.5368 C.1 3 UNL3 0.6667 11 O 5.4999 0.7355 0.2891 O.3 3 UNL3 -0.2625 12 C 3.7804 0.7267 -1.4402 C.1 3 UNL3 -0.7857 13 O 2.0674 2.8442 0.5341 O.3 1 UNL1 -0.1928 14 C 2.8716 0.7551 -2.3395 C.3 3 UNL3 0.6688 15 O 2.0369 0.7774 -3.1435 O.3 3 UNL3 -0.2859 16 C 3.2150 -2.7976 0.5314 C.3 1 UNL1 0.0043 17 C 1.8995 -2.6845 0.4027 C.2 1 UNL1 -0.1734 18 C 0.9247 0.9448 0.8365 C.2 1 UNL1 0.0158 19 O 1.3161 2.2477 1.2789 O.2 1 UNL1 0.3105 20 O -0.4218 0.9619 0.5351 O.3 1 UNL1 -0.2237 21 C -0.9812 -0.2648 0.2662 C.ar 1 UNL1 0.2019 22 C -2.3461 -0.2752 0.0205 C.ar 1 UNL1 -0.1022 23 C -3.3775 0.7319 -0.0744 C.2 1 UNL1 -0.4563 24 C -3.2239 2.0515 -0.0014 C.1 1 UNL1 0.5886 25 C -6.7205 2.4873 0.2978 C.2 2 UNL2 0.4085 26 O -5.7635 0.3568 -0.4424 O.2 1 UNL1 -0.4103 27 C -4.6317 0.0129 -0.3128 C.2 1 UNL1 0.6411 28 O -4.3421 -1.3876 -0.3937 O.3 1 UNL1 -0.2574 29 C -3.0017 -1.5304 -0.2038 C.ar 1 UNL1 0.2129 30 C -2.2439 -2.6548 -0.1982 C.ar 1 UNL1 -0.0467 31 O -7.7790 2.1946 0.5946 O.2 2 UNL2 -0.4133 32 O -3.0753 3.1888 0.0597 O.2 1 UNL1 -0.1372 @BOND 1 15 14 1 2 14 12 1 3 12 10 3 4 10 11 1 5 26 27 2 6 28 27 1 7 28 29 1 8 27 23 1 9 29 30 ar 10 29 22 ar 11 30 3 ar 12 23 24 2 13 23 22 1 14 2 3 1 15 2 1 1 16 24 32 2 17 3 4 ar 18 22 21 ar 19 1 17 2 20 4 21 ar 21 4 5 1 22 21 20 1 23 25 31 2 24 17 5 1 25 17 16 1 26 5 6 1 27 16 7 1 28 13 19 1 29 20 18 1 30 7 8 3 31 6 18 2 32 18 19 1