@MOLECULE 3-buten-2-one, 4- (1,3-benzodioxol-5-yl)- 24 25 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6991 1.6563 0.2371 O.3 1 UNL1111111111 -0.3394 2 O 3.8518 -0.3493 -0.2230 O.3 1 UNL1111111111 -0.3369 3 O -4.4739 -0.7601 0.4378 O.2 1 UNL1111111111 -0.4647 4 C 1.8129 0.6122 0.1456 C.ar 1 UNL1111111111 0.1236 5 C 2.5058 -0.5914 -0.1289 C.ar 1 UNL1111111111 0.1367 6 C -0.2312 -0.5738 0.1394 C.ar 1 UNL1111111111 -0.0413 7 C 0.4490 0.6563 0.2847 C.ar 1 UNL1111111111 -0.1814 8 C 1.8549 -1.7933 -0.2670 C.ar 1 UNL1111111111 -0.1903 9 C 0.4571 -1.7602 -0.1198 C.ar 1 UNL1111111111 -0.1385 10 C 4.0011 1.0707 0.0084 C.3 1 UNL1111111111 0.1578 11 C -1.6867 -0.6154 0.2612 C.2 1 UNL1111111111 -0.0327 12 C -2.4998 0.3462 -0.1991 C.2 1 UNL1111111111 -0.3191 13 C -3.9631 0.2246 -0.0434 C.2 1 UNL1111111111 0.4958 14 C -4.7901 1.3857 -0.5121 C.3 1 UNL1111111111 -0.5480 15 H -0.0823 1.5779 0.5017 H 1 UNL1111111111 0.1791 16 H 2.3832 -2.7183 -0.4760 H 1 UNL1111111111 0.1776 17 H -0.0984 -2.6940 -0.2206 H 1 UNL1111111111 0.1662 18 H 4.5932 1.2004 0.9251 H 1 UNL1111111111 0.1440 19 H 4.4140 1.5175 -0.9066 H 1 UNL1111111111 0.1435 20 H -2.0988 -1.5080 0.7543 H 1 UNL1111111111 0.1755 21 H -2.1348 1.2357 -0.7059 H 1 UNL1111111111 0.1675 22 H -4.6511 1.5695 -1.5855 H 1 UNL1111111111 0.1730 23 H -5.8628 1.2043 -0.3459 H 1 UNL1111111111 0.1789 24 H -4.5261 2.3078 0.0219 H 1 UNL1111111111 0.1731 @BOND 1 1 4 1 2 1 10 1 3 2 5 1 4 2 10 1 5 3 13 2 6 4 5 ar 7 4 7 ar 8 5 8 ar 9 6 7 ar 10 6 9 ar 11 6 11 1 12 7 15 1 13 8 9 ar 14 8 16 1 15 9 17 1 16 10 18 1 17 10 19 1 18 11 12 2 19 11 20 1 20 12 13 1 21 12 21 1 22 13 14 1 23 14 22 1 24 14 23 1 25 14 24 1