@MOLECULE methyl 7-hydroxy-3-(hydroxymethyl)-6-oxo-6h-oxepino[2,3-b]chromene-5-carboxylate 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.0573 2.0153 0.7563 O.2 1 UNL1 -0.2686 2 O 1.0719 2.0968 1.2928 O.3 1 UNL1 -0.2707 3 O -0.7832 -1.7119 -0.9143 O.2 1 UNL1 -0.5041 4 O -3.4094 -1.6634 -1.2877 O.3 1 UNL1 -0.4539 5 O 0.6794 -2.4386 1.2572 O.3 1 UNL1 -0.3753 6 O 4.7320 0.8515 -1.5956 O.3 1 UNL1 -0.5233 7 O 2.2756 -2.8275 -0.2916 O.2 1 UNL1 -0.4851 8 C 0.2916 0.0826 0.1816 C.ar 1 UNL1 -0.3426 9 C -2.1308 0.0964 -0.2714 C.ar 1 UNL1 -0.4361 10 C -0.8655 -0.6192 -0.3784 C.ar 1 UNL1 0.5503 11 C 1.5772 -0.5737 0.1903 C.2 1 UNL1 -0.0171 12 C -2.1855 1.3725 0.2987 C.ar 1 UNL1 0.3251 13 C 0.1166 1.3271 0.6947 C.ar 1 UNL1 0.4675 14 C 2.7685 0.0448 0.0814 C.2 1 UNL1 -0.1362 15 C -3.3475 -0.4563 -0.7235 C.ar 1 UNL1 0.4294 16 C 2.9383 1.4743 -0.0853 C.2 1 UNL1 -0.0848 17 C -3.3619 2.0968 0.4397 C.ar 1 UNL1 -0.3249 18 C 2.1128 2.4056 0.4166 C.2 1 UNL1 0.0094 19 C -4.5564 0.2503 -0.5970 C.ar 1 UNL1 -0.3281 20 C -4.5479 1.5107 -0.0191 C.ar 1 UNL1 0.0189 21 C 1.5682 -2.0604 0.3074 C.2 1 UNL1 0.6038 22 C 4.1430 1.9096 -0.8790 C.3 1 UNL1 -0.0019 23 C 0.5193 -3.8460 1.4206 C.3 1 UNL1 -0.1721 24 H 3.7018 -0.5425 0.0849 H 1 UNL1 0.1981 25 H -3.3589 3.0836 0.8922 H 1 UNL1 0.1838 26 H 2.1759 3.4825 0.3265 H 1 UNL1 0.1689 27 H -5.4762 -0.2061 -0.9548 H 1 UNL1 0.1854 28 H -5.4848 2.0644 0.0831 H 1 UNL1 0.1548 29 H 4.9686 2.2397 -0.2108 H 1 UNL1 0.1608 30 H 3.9020 2.7238 -1.5904 H 1 UNL1 0.1302 31 H -2.4791 -2.0905 -1.3278 H 1 UNL1 0.3850 32 H 4.0645 0.3716 -2.1340 H 1 UNL1 0.3239 33 H 1.4717 -4.3096 1.6965 H 1 UNL1 0.1385 34 H -0.2130 -3.9139 2.2328 H 1 UNL1 0.1450 35 H 0.1314 -4.2855 0.4942 H 1 UNL1 0.1460 @BOND 1 32 6 1 2 6 22 1 3 30 22 1 4 31 4 1 5 4 15 1 6 27 19 1 7 3 10 2 8 22 29 1 9 22 16 1 10 15 19 ar 11 15 9 ar 12 19 20 ar 13 10 9 ar 14 10 8 ar 15 7 21 2 16 9 12 ar 17 16 14 1 18 16 18 2 19 20 28 1 20 20 17 ar 21 14 24 1 22 14 11 2 23 8 11 1 24 8 13 ar 25 11 21 1 26 12 17 ar 27 12 1 ar 28 21 5 1 29 26 18 1 30 18 2 1 31 17 25 1 32 35 23 1 33 13 1 ar 34 13 2 1 35 5 23 1 36 23 33 1 37 23 34 1