@MOLECULE 2-(3,4-dimethoxyphenyl)-4h-chromen-4-one 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.1935 -0.5751 0.2077 O.2 1 UNL1 -0.2735 2 O 3.4689 -1.6542 -0.7287 O.3 1 UNL1 -0.3364 3 O 4.8980 0.5917 0.4136 O.3 1 UNL1 -0.3310 4 O -3.6499 2.6243 -0.4156 O.2 1 UNL1 -0.4572 5 C 0.7630 0.6367 0.1229 C.ar 1 UNL1 -0.0968 6 C -0.6963 0.6917 0.0362 C.ar 1 UNL1 0.3016 7 C -3.4411 0.3002 -0.0887 C.ar 1 UNL1 -0.2631 8 C -2.5500 -0.7494 0.1256 C.ar 1 UNL1 0.2541 9 C -1.4663 1.7733 -0.1832 C.ar 1 UNL1 -0.4321 10 C 1.4409 -0.5092 -0.3027 C.ar 1 UNL1 -0.1244 11 C -2.9228 1.6714 -0.2464 C.ar 1 UNL1 0.4996 12 C 1.4714 1.7316 0.6304 C.ar 1 UNL1 -0.0912 13 C 2.8304 -0.5436 -0.2327 C.ar 1 UNL1 0.0871 14 C 3.5455 0.5666 0.2424 C.ar 1 UNL1 0.1842 15 C 2.8598 1.7022 0.6854 C.ar 1 UNL1 -0.2166 16 C -4.8094 0.0179 -0.1498 C.ar 1 UNL1 -0.0248 17 C -2.9738 -2.0739 0.2816 C.ar 1 UNL1 -0.2513 18 C -5.2528 -1.2899 0.0018 C.ar 1 UNL1 -0.2252 19 C -4.3372 -2.3285 0.2164 C.ar 1 UNL1 -0.0588 20 C 3.9194 -2.5238 0.3105 C.3 1 UNL1 -0.1995 21 C 5.6557 0.2786 -0.7537 C.3 1 UNL1 -0.1962 22 H -1.0487 2.7666 -0.3346 H 1 UNL1 0.2019 23 H 0.9015 -1.3762 -0.6898 H 1 UNL1 0.1836 24 H 0.9343 2.6145 0.9839 H 1 UNL1 0.1700 25 H 3.4259 2.5504 1.0685 H 1 UNL1 0.1778 26 H -5.5132 0.8391 -0.3172 H 1 UNL1 0.1755 27 H -2.2503 -2.8668 0.4493 H 1 UNL1 0.1757 28 H -6.3165 -1.5131 -0.0455 H 1 UNL1 0.1612 29 H -4.7018 -3.3499 0.3336 H 1 UNL1 0.1525 30 H 3.0675 -2.9116 0.8774 H 1 UNL1 0.1336 31 H 4.6266 -2.0101 0.9704 H 1 UNL1 0.1391 32 H 4.4142 -3.3278 -0.2470 H 1 UNL1 0.1481 33 H 5.4006 0.9611 -1.5699 H 1 UNL1 0.1343 34 H 5.5098 -0.7625 -1.0588 H 1 UNL1 0.1495 35 H 6.6850 0.4461 -0.4119 H 1 UNL1 0.1488 @BOND 1 33 21 1 2 34 21 1 3 21 35 1 4 21 3 1 5 2 13 1 6 2 20 1 7 23 10 1 8 4 11 2 9 22 9 1 10 26 16 1 11 10 13 ar 12 10 5 ar 13 32 20 1 14 11 9 ar 15 11 7 ar 16 13 14 ar 17 9 6 ar 18 16 7 ar 19 16 18 ar 20 7 8 ar 21 28 18 1 22 18 19 ar 23 6 5 1 24 6 1 ar 25 5 12 ar 26 8 1 ar 27 8 17 ar 28 19 17 ar 29 19 29 1 30 14 3 1 31 14 15 ar 32 17 27 1 33 20 30 1 34 20 31 1 35 12 15 ar 36 12 24 1 37 15 25 1