@MOLECULE 7-(3-methyl-2-butenyloxy) coumarin 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7478 -0.8616 -0.2506 O.3 1 UNL1 -0.3150 2 O 2.5097 1.2619 -0.1734 O.2 1 UNL1 -0.3729 3 O 4.4408 2.2792 -0.1462 O.2 1 UNL1 -0.4144 4 C 2.3453 -1.1139 0.1677 C.ar 1 UNL1 -0.2878 5 C 1.7658 0.1440 -0.0724 C.ar 1 UNL1 0.3743 6 C -0.4109 -0.8218 -0.1254 C.ar 1 UNL1 0.3438 7 C 0.3828 0.3161 -0.2248 C.ar 1 UNL1 -0.4221 8 C 1.5005 -2.2366 0.2685 C.ar 1 UNL1 0.0015 9 C 0.1406 -2.1069 0.1253 C.ar 1 UNL1 -0.3125 10 C -2.4398 0.3790 -0.4819 C.3 1 UNL1 -0.0302 11 C 3.7675 -1.2004 0.3045 C.ar 1 UNL1 0.0413 12 C -4.8844 0.4855 0.0861 C.2 1 UNL1 0.1036 13 C -3.8629 -0.0443 -0.5997 C.2 1 UNL1 -0.2790 14 C 4.5196 -0.0852 0.2006 C.ar 1 UNL1 -0.3815 15 C 3.9182 1.2066 -0.0401 C.ar 1 UNL1 0.6035 16 C -6.2816 -0.0023 -0.1249 C.3 1 UNL1 -0.4655 17 C -4.7627 1.5827 1.0882 C.3 1 UNL1 -0.4646 18 H -0.0169 1.3056 -0.4110 H 1 UNL1 0.1930 19 H 1.9430 -3.2158 0.4601 H 1 UNL1 0.1530 20 H -0.5295 -2.9597 0.1992 H 1 UNL1 0.1801 21 H -2.2330 1.0561 0.3671 H 1 UNL1 0.1370 22 H -2.0673 0.8304 -1.4241 H 1 UNL1 0.1414 23 H 4.2137 -2.1806 0.4908 H 1 UNL1 0.1562 24 H -4.0172 -0.8611 -1.3065 H 1 UNL1 0.1668 25 H 5.6040 -0.0837 0.2905 H 1 UNL1 0.1920 26 H -6.6981 -0.4233 0.8021 H 1 UNL1 0.1614 27 H -6.9473 0.8140 -0.4396 H 1 UNL1 0.1593 28 H -6.3506 -0.7864 -0.8904 H 1 UNL1 0.1570 29 H -5.2151 1.2909 2.0492 H 1 UNL1 0.1622 30 H -3.7243 1.8694 1.3036 H 1 UNL1 0.1568 31 H -5.2828 2.4892 0.7486 H 1 UNL1 0.1613 @BOND 1 22 10 1 2 24 13 1 3 28 16 1 4 13 10 1 5 13 12 2 6 10 1 1 7 10 21 1 8 27 16 1 9 18 7 1 10 1 6 1 11 7 6 ar 12 7 5 ar 13 2 5 ar 14 2 15 ar 15 3 15 2 16 6 9 ar 17 16 12 1 18 16 26 1 19 5 4 ar 20 15 14 ar 21 12 17 1 22 9 20 1 23 9 8 ar 24 4 8 ar 25 4 11 ar 26 14 25 1 27 14 11 ar 28 8 19 1 29 11 23 1 30 31 17 1 31 17 30 1 32 17 29 1