@MOLECULE 2-(1,3-benzodioxol-5-yl)-4h-chromen-4-one 30 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6938 0.6228 0.4051 C.ar 1 UNL11111111 -0.2057 2 C -3.0610 0.6363 0.2972 C.ar 1 UNL11111111 -0.1282 3 O -3.9254 1.6226 0.7025 O.3 1 UNL11111111 -0.0419 4 C -5.2433 1.1368 0.3620 C.3 1 UNL11111111 -0.2466 5 O -5.1252 -0.1662 -0.2586 O.3 1 UNL11111111 -0.0808 6 C -3.7841 -0.4370 -0.2809 C.ar 1 UNL11111111 0.0546 7 C -3.1608 -1.5585 -0.7740 C.ar 1 UNL11111111 -0.2685 8 C -1.7592 -1.5843 -0.6699 C.ar 1 UNL11111111 -0.2081 9 C -1.0491 -0.5313 -0.0942 C.ar 1 UNL11111111 0.1357 10 C 0.4097 -0.6166 -0.0007 C.2 1 UNL11111111 0.0009 11 O 0.9361 0.6279 -0.2302 O.3 1 UNL11111111 -0.0140 12 C 2.2975 0.7701 -0.1703 C.ar 1 UNL11111111 0.1063 13 C 2.7538 2.0722 -0.4045 C.ar 1 UNL11111111 -0.3518 14 C 4.1232 2.2955 -0.3599 C.ar 1 UNL11111111 -0.1087 15 C 5.0134 1.2476 -0.0904 C.ar 1 UNL11111111 -0.2133 16 C 4.5378 -0.0376 0.1361 C.ar 1 UNL11111111 -0.2371 17 C 3.1625 -0.2892 0.0976 C.ar 1 UNL11111111 0.0605 18 C 2.6107 -1.6355 0.3308 C.2 1 UNL11111111 0.1686 19 O 3.3138 -2.5949 0.5547 O.2 1 UNL11111111 -0.2804 20 C 1.1515 -1.7060 0.2690 C.2 1 UNL11111111 -0.3837 21 H -1.1336 1.4443 0.8469 H 1 UNL11111111 0.2521 22 H -5.8081 1.0119 1.2966 H 1 UNL11111111 0.2164 23 H -5.6744 1.8228 -0.3805 H 1 UNL11111111 0.2234 24 H -3.7129 -2.3802 -1.2200 H 1 UNL11111111 0.2435 25 H -1.2220 -2.4542 -1.0559 H 1 UNL11111111 0.2260 26 H 2.0486 2.8718 -0.6153 H 1 UNL11111111 0.2464 27 H 4.5128 3.2991 -0.5365 H 1 UNL11111111 0.1908 28 H 6.0828 1.4457 -0.0599 H 1 UNL11111111 0.1919 29 H 5.2216 -0.8660 0.3458 H 1 UNL11111111 0.2352 30 H 0.7093 -2.6808 0.4653 H 1 UNL11111111 0.2165 @BOND 1 24 7 1 2 25 8 1 3 7 8 ar 4 7 6 ar 5 8 9 ar 6 26 13 1 7 27 14 1 8 13 14 ar 9 13 12 ar 10 23 4 1 11 14 15 ar 12 6 5 1 13 6 2 ar 14 5 4 1 15 11 12 1 16 11 10 1 17 12 17 ar 18 9 10 1 19 9 1 ar 20 15 28 1 21 15 16 ar 22 10 20 2 23 17 16 ar 24 17 18 1 25 16 29 1 26 20 18 1 27 20 30 1 28 2 1 ar 29 2 3 1 30 18 19 2 31 4 3 1 32 4 22 1 33 1 21 1