@MOLECULE 3-hydroxy-1-phenyl-1-propanone 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9777 -1.7484 0.0087 O.2 1 UNL1111 -0.4603 2 C 0.6908 -0.5727 0.0043 C.2 1 UNL1111 0.4730 3 C 1.7685 0.4749 0.0011 C.3 1 UNL1111 -0.4043 4 C 3.1512 -0.1852 -0.0047 C.3 1 UNL1111 0.0354 5 C -0.7298 -0.1450 0.0015 C.ar 1 UNL1111 -0.1683 6 C -1.7051 -1.1465 -0.0046 C.ar 1 UNL1111 -0.0733 7 C -3.0559 -0.8079 -0.0069 C.ar 1 UNL1111 -0.1779 8 C -1.1120 1.1973 0.0053 C.ar 1 UNL1111 -0.1024 9 C -2.4635 1.5342 0.0034 C.ar 1 UNL1111 -0.1726 10 C -3.4348 0.5331 -0.0029 C.ar 1 UNL1111 -0.1054 11 O 4.0606 0.9063 -0.0047 O.3 1 UNL1111 -0.5647 12 H 1.6736 1.1436 -0.8807 H 1 UNL1111 0.1841 13 H 1.6802 1.1424 0.8847 H 1 UNL1111 0.1843 14 H 3.3176 -0.8013 0.8970 H 1 UNL1111 0.1249 15 H 3.3128 -0.7968 -0.9102 H 1 UNL1111 0.1247 16 H 4.9800 0.5827 -0.0053 H 1 UNL1111 0.3148 17 H -1.3986 -2.1971 -0.0072 H 1 UNL1111 0.1740 18 H -0.3636 1.9893 0.0100 H 1 UNL1111 0.1541 19 H -3.8129 -1.5899 -0.0118 H 1 UNL1111 0.1563 20 H -4.4907 0.8005 -0.0046 H 1 UNL1111 0.1497 21 H -2.7627 2.5806 0.0071 H 1 UNL1111 0.1539 @BOND 1 1 2 2 2 2 3 1 3 2 5 1 4 3 4 1 5 3 12 1 6 3 13 1 7 4 11 1 8 4 14 1 9 4 15 1 10 5 6 ar 11 5 8 ar 12 6 7 ar 13 6 17 1 14 7 10 ar 15 7 19 1 16 8 9 ar 17 8 18 1 18 9 10 ar 19 9 21 1 20 10 20 1 21 11 16 1