@MOLECULE methoxsalen 24 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9375 0.6378 0.1608 O.2 1 UNL1 -0.1897 2 O 1.8508 0.7956 0.1097 O.2 1 UNL1 -0.3082 3 O -0.3705 2.1833 0.3391 O.3 1 UNL1 -0.2461 4 O 4.0245 0.9052 0.0718 O.2 1 UNL1 -0.4073 5 C -1.7031 -1.2972 -0.0235 C.ar 1 UNL1 -0.0942 6 C -1.6608 0.1220 0.1083 C.ar 1 UNL1 0.1094 7 C 0.6869 -1.3269 -0.0531 C.ar 1 UNL1 -0.1829 8 C 0.7079 0.0790 0.0680 C.ar 1 UNL1 0.2238 9 C -0.4779 0.8406 0.1477 C.ar 1 UNL1 0.0524 10 C -0.5307 -2.0215 -0.1049 C.ar 1 UNL1 -0.0784 11 C -3.1145 -1.6338 -0.0477 C.ar 1 UNL1 -0.2394 12 C 1.9573 -2.0044 -0.1347 C.ar 1 UNL1 0.0063 13 C -3.7922 -0.4619 0.0634 C.ar 1 UNL1 0.0297 14 C 3.1027 -1.2979 -0.0924 C.ar 1 UNL1 -0.3356 15 C 3.0938 0.1500 0.0300 C.ar 1 UNL1 0.5805 16 C -1.1272 2.9383 -0.6099 C.3 1 UNL1 -0.2175 17 H -0.5479 -3.1046 -0.2094 H 1 UNL1 0.1653 18 H -3.5018 -2.6284 -0.1380 H 1 UNL1 0.1775 19 H 1.9511 -3.0926 -0.2291 H 1 UNL1 0.1604 20 H -4.8194 -0.1740 0.0980 H 1 UNL1 0.1744 21 H 4.0886 -1.7560 -0.1507 H 1 UNL1 0.1899 22 H -0.8830 2.6469 -1.6350 H 1 UNL1 0.1352 23 H -0.7878 3.9629 -0.4078 H 1 UNL1 0.1591 24 H -2.1981 2.8379 -0.4152 H 1 UNL1 0.1355 @BOND 1 22 16 1 2 16 24 1 3 16 23 1 4 16 3 1 5 19 12 1 6 17 10 1 7 21 14 1 8 18 11 1 9 12 14 ar 10 12 7 ar 11 10 7 ar 12 10 5 ar 13 14 15 ar 14 7 8 ar 15 11 5 ar 16 11 13 ar 17 5 6 ar 18 15 4 2 19 15 2 ar 20 13 20 1 21 13 1 ar 22 8 2 ar 23 8 9 ar 24 6 9 ar 25 6 1 ar 26 9 3 1