@MOLECULE ({(e)-[(6ar,9ar)-9a-hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2h)-ylidene]amino}oxy)acetic acid 44 48 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.9757 -0.5823 -0.1942 O.3 1 UNL1 -0.3227 2 O -5.8714 1.2554 0.8766 O.2 1 UNL1 -0.3391 3 O -3.5958 2.3371 -1.3582 O.3 1 UNL1 -0.5240 4 O -0.7683 1.3416 -0.2880 O.2 1 UNL1 -0.4108 5 O -1.0448 -3.3579 0.0751 O.3 1 UNL1 -0.3018 6 O 1.0898 2.4650 -0.4016 O.2 1 UNL1 -0.3538 7 O 4.8935 0.0559 -0.3867 O.2 1 UNL1 -0.1490 8 O 7.9666 1.5725 0.4755 O.3 1 UNL1 -0.5693 9 O 7.1899 -0.4754 0.8995 O.2 1 UNL1 -0.4788 10 N 3.6310 0.6419 -0.3504 N.2 1 UNL1 -0.2415 11 C -3.7547 1.5324 -0.2361 C.3 1 UNL1 0.3158 12 C -2.8582 0.3441 -0.1845 C.ar 1 UNL1 -0.4174 13 C -5.1910 0.8496 -0.2988 C.3 1 UNL1 0.2400 14 C -1.4771 0.2214 -0.1853 C.ar 1 UNL1 0.4527 15 C -3.6464 -0.8195 -0.1261 C.ar 1 UNL1 0.4093 16 C -0.8778 -1.0664 -0.0933 C.ar 1 UNL1 -0.3914 17 C 0.5377 -1.0992 -0.0991 C.ar 1 UNL1 0.2671 18 C 1.4156 -2.3075 0.0038 C.3 1 UNL1 -0.2965 19 C -3.8428 2.3045 1.0540 C.2 1 UNL1 -0.3431 20 C 1.2735 0.0576 -0.2097 C.ar 1 UNL1 -0.3397 21 C -1.7289 -2.2019 -0.0144 C.ar 1 UNL1 0.4123 22 C 2.8567 -1.7509 -0.0849 C.3 1 UNL1 -0.2966 23 C -3.1195 -2.1055 -0.0355 C.ar 1 UNL1 -0.4720 24 C 2.7022 -0.2460 -0.2251 C.2 1 UNL1 0.1844 25 C -5.0377 2.0764 1.6162 C.2 1 UNL1 0.1128 26 C 0.6765 1.3522 -0.3070 C.ar 1 UNL1 0.6268 27 C -1.7961 -4.5686 0.1331 C.3 1 UNL1 -0.1991 28 C 5.8550 1.1189 -0.4023 C.3 1 UNL1 -0.1486 29 C 7.0184 0.5993 0.3964 C.2 1 UNL1 0.6168 30 H -5.8470 1.0065 -1.1619 H 1 UNL1 0.1749 31 H 1.2393 -2.8522 0.9527 H 1 UNL1 0.1782 32 H 1.2019 -3.0383 -0.8002 H 1 UNL1 0.1767 33 H -3.0312 2.9144 1.3931 H 1 UNL1 0.1914 34 H 3.4121 -2.1734 -0.9414 H 1 UNL1 0.1692 35 H 3.4531 -1.9982 0.8139 H 1 UNL1 0.1749 36 H -3.7764 -2.9637 0.0155 H 1 UNL1 0.1965 37 H -5.5222 2.3988 2.5171 H 1 UNL1 0.1710 38 H -2.6388 2.5629 -1.4684 H 1 UNL1 0.3469 39 H -1.0038 -5.3285 0.1767 H 1 UNL1 0.1559 40 H -2.4007 -4.6950 -0.7710 H 1 UNL1 0.1449 41 H -2.4114 -4.5998 1.0384 H 1 UNL1 0.1456 42 H 6.1328 1.3078 -1.4585 H 1 UNL1 0.1721 43 H 5.4518 2.0655 0.0208 H 1 UNL1 0.2010 44 H 8.7746 1.3011 0.9753 H 1 UNL1 0.3581 @BOND 1 38 3 1 2 42 28 1 3 3 11 1 4 30 13 1 5 34 22 1 6 32 18 1 7 40 27 1 8 28 7 1 9 28 43 1 10 28 29 1 11 6 26 2 12 7 10 1 13 10 24 2 14 26 4 ar 15 26 20 ar 16 13 11 1 17 13 1 1 18 13 2 1 19 4 14 ar 20 11 12 1 21 11 19 1 22 24 20 1 23 24 22 1 24 20 17 ar 25 1 15 1 26 14 12 ar 27 14 16 ar 28 12 15 ar 29 15 23 ar 30 17 16 ar 31 17 18 1 32 16 21 ar 33 22 18 1 34 22 35 1 35 23 21 ar 36 23 36 1 37 21 5 1 38 18 31 1 39 5 27 1 40 27 39 1 41 27 41 1 42 29 8 1 43 29 9 2 44 8 44 1 45 2 25 1 46 19 33 1 47 19 25 2 48 25 37 1