@MOLECULE 3-methoxy-1,5,8-trihydroxyxanthone 30 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.1183 1.4367 0.0038 O.2 1 UNL1 0.1830 2 O 4.5552 0.6744 -0.0087 O.3 1 UNL1 -0.0124 3 O 1.6449 -2.9942 0.0238 O.3 1 UNL1 -0.3086 4 O -0.9121 -2.5959 -0.0058 O.2 1 UNL1 -0.1067 5 O -3.4769 -2.0430 -0.0145 O.3 1 UNL1 -0.2257 6 O -1.9998 3.2341 0.0094 O.3 1 UNL1 -0.3130 7 C 0.6956 -0.8609 0.0049 C.ar 1 UNL1 0.3339 8 C -1.7210 -0.3986 -0.0011 C.ar 1 UNL1 0.0469 9 C 0.8969 0.5270 0.0024 C.ar 1 UNL1 -0.1631 10 C -1.4021 0.9594 0.0027 C.ar 1 UNL1 0.0344 11 C -0.6506 -1.4047 -0.0001 C.ar 1 UNL1 -0.2329 12 C 1.8546 -1.6699 0.0066 C.ar 1 UNL1 0.0946 13 C -3.0814 -0.7642 -0.0061 C.ar 1 UNL1 -0.0149 14 C 2.1602 1.1203 -0.0027 C.ar 1 UNL1 -0.5132 15 C -2.4112 1.9344 0.0045 C.ar 1 UNL1 -0.1353 16 C 3.2695 0.2705 -0.0051 C.ar 1 UNL1 0.3298 17 C 3.1382 -1.1283 -0.0023 C.ar 1 UNL1 -0.6122 18 C -4.0965 0.2054 -0.0035 C.ar 1 UNL1 -0.1940 19 C -3.7538 1.5502 0.0018 C.ar 1 UNL1 -0.2572 20 C 4.8074 2.0764 -0.0077 C.3 1 UNL1 -0.7336 21 H 2.2488 2.2000 -0.0052 H 1 UNL1 0.2805 22 H 4.0237 -1.7520 -0.0036 H 1 UNL1 0.2888 23 H -5.1365 -0.1142 -0.0065 H 1 UNL1 0.2235 24 H -4.5341 2.3104 0.0044 H 1 UNL1 0.2194 25 H 2.4939 -3.5130 -0.0194 H 1 UNL1 0.3748 26 H -2.6644 -2.6661 -0.0166 H 1 UNL1 0.3205 27 H -2.7736 3.8496 0.0084 H 1 UNL1 0.3217 28 H 4.3995 2.5460 0.8932 H 1 UNL1 0.2572 29 H 4.4159 2.5420 -0.9179 H 1 UNL1 0.2256 30 H 5.9056 2.1111 0.0026 H 1 UNL1 0.2879 @BOND 1 29 20 1 2 25 3 1 3 26 5 1 4 5 13 1 5 2 20 1 6 2 16 1 7 20 30 1 8 20 28 1 9 23 18 1 10 13 18 ar 11 13 8 ar 12 4 11 2 13 21 14 1 14 16 14 ar 15 16 17 ar 16 22 17 1 17 18 19 ar 18 14 9 ar 19 17 12 ar 20 8 11 ar 21 8 10 ar 22 11 7 ar 23 19 24 1 24 19 15 ar 25 9 1 ar 26 9 7 ar 27 10 1 ar 28 10 15 ar 29 15 6 1 30 7 12 ar 31 12 3 1 32 27 6 1