@MOLECULE 6,7,9-trihydroxy-3-methyl-1h-benzo[g]isochromen-1-one 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.0380 1.6224 0.0394 C.3 1 UNL1 -0.4760 2 O -2.9898 -2.3628 -0.0340 O.2 1 UNL1 -0.4168 3 O 4.8160 0.9010 0.0146 O.3 1 UNL1 -0.4370 4 O 1.9920 -2.9006 0.0191 O.3 1 UNL1 -0.4559 5 O 2.6523 2.5488 0.0079 O.3 1 UNL1 -0.4798 6 C 3.4678 -1.0171 0.0237 C.ar 1 UNL1 -0.4109 7 C -2.4988 1.6153 0.0144 C.ar 1 UNL1 -0.4142 8 C -0.0317 1.4329 -0.0018 C.ar 1 UNL1 -0.2713 9 C -0.2677 -1.3740 -0.0095 C.ar 1 UNL1 0.0498 10 O -3.8317 -0.3548 -0.0035 O.2 1 UNL1 -0.3840 11 C -3.6971 0.9915 0.0164 C.ar 1 UNL1 0.3548 12 C 3.5665 0.3941 0.0031 C.ar 1 UNL1 0.3227 13 C 2.2074 -1.5663 0.0130 C.ar 1 UNL1 0.3516 14 C 2.4339 1.1934 -0.0258 C.ar 1 UNL1 -0.0441 15 C -2.7117 -1.1957 -0.0181 C.ar 1 UNL1 0.6037 16 C -1.2831 0.8446 -0.0022 C.ar 1 UNL1 0.1764 17 C 1.0097 -0.7827 -0.0048 C.ar 1 UNL1 -0.1858 18 C 1.1323 0.6345 -0.0097 C.ar 1 UNL1 0.1077 19 C -1.3959 -0.5757 -0.0125 C.ar 1 UNL1 -0.2745 20 H -5.8483 0.8737 0.1073 H 1 UNL1 0.1875 21 H -5.1508 2.2997 0.9006 H 1 UNL1 0.1776 22 H -5.2215 2.2111 -0.8735 H 1 UNL1 0.1778 23 H 4.7892 1.9010 0.0161 H 1 UNL1 0.3480 24 H 2.8363 -3.4202 0.0390 H 1 UNL1 0.3375 25 H 2.0699 2.9995 -0.6519 H 1 UNL1 0.3273 26 H 4.3756 -1.6095 0.0446 H 1 UNL1 0.1905 27 H -2.4248 2.6978 0.0310 H 1 UNL1 0.1836 28 H 0.0635 2.5155 0.0299 H 1 UNL1 0.1660 29 H -0.3594 -2.4689 -0.0101 H 1 UNL1 0.1878 @BOND 1 22 1 1 2 25 5 1 3 2 15 2 4 14 18 ar 5 14 12 ar 6 14 5 1 7 15 19 ar 8 15 10 ar 9 19 9 ar 10 19 16 ar 11 29 9 1 12 18 17 ar 13 18 8 ar 14 9 17 ar 15 17 13 ar 16 10 11 ar 17 16 8 ar 18 16 7 ar 19 8 28 1 20 12 3 1 21 12 6 ar 22 13 4 1 23 13 6 ar 24 7 11 ar 25 7 27 1 26 3 23 1 27 11 1 1 28 4 24 1 29 6 26 1 30 1 20 1 31 1 21 1