@MOLECULE 3-buten-2-one, 4- (4-hydroxy-3-methoxyphenyl)- 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.4119 1.7505 0.1634 O.3 1 UNL1111111111111 -0.0488 2 O 3.8700 -0.6928 -0.2286 O.3 1 UNL1111111111111 -0.4134 3 O -4.5171 -0.7518 0.3247 O.2 1 UNL1111111111111 -0.3283 4 C -0.2605 -0.6593 0.1359 C.ar 1 UNL1111111111111 0.2624 5 C 1.8577 0.5153 0.0828 C.ar 1 UNL1111111111111 0.1043 6 C 0.4654 0.5326 0.2040 C.ar 1 UNL1111111111111 -0.4092 7 C 0.4053 -1.8760 -0.0436 C.ar 1 UNL1111111111111 -0.2627 8 C 2.5130 -0.7150 -0.1083 C.ar 1 UNL1111111111111 0.0276 9 C 1.7912 -1.9049 -0.1710 C.ar 1 UNL1111111111111 -0.3082 10 C -1.7170 -0.6559 0.2520 C.2 1 UNL1111111111111 -0.2861 11 C -2.4993 0.3330 -0.2049 C.2 1 UNL1111111111111 -0.3739 12 C -3.9653 0.2554 -0.0529 C.2 1 UNL1111111111111 0.5348 13 C 3.8285 1.8484 0.0887 C.3 1 UNL1111111111111 -0.7161 14 C -4.7445 1.4921 -0.3948 C.3 1 UNL1111111111111 -0.9804 15 H -0.0385 1.4867 0.3593 H 1 UNL1111111111111 0.2748 16 H -0.1608 -2.8055 -0.0925 H 1 UNL1111111111111 0.2320 17 H 2.3064 -2.8505 -0.3185 H 1 UNL1111111111111 0.2310 18 H -2.1583 -1.5378 0.7383 H 1 UNL1111111111111 0.2626 19 H -2.1075 1.2134 -0.7060 H 1 UNL1111111111111 0.1975 20 H 4.3027 1.2982 0.9079 H 1 UNL1111111111111 0.2841 21 H 3.9884 2.9290 0.1994 H 1 UNL1111111111111 0.2619 22 H 4.1923 1.4985 -0.8834 H 1 UNL1111111111111 0.2615 23 H 4.2395 -1.6040 -0.3321 H 1 UNL1111111111111 0.3664 24 H -4.6729 1.7217 -1.4661 H 1 UNL1111111111111 0.2698 25 H -5.8119 1.3693 -0.1576 H 1 UNL1111111111111 0.2644 26 H -4.3806 2.3668 0.1594 H 1 UNL1111111111111 0.2920 @BOND 1 1 5 1 2 1 13 1 3 2 8 1 4 2 23 1 5 3 12 2 6 4 6 ar 7 4 7 ar 8 4 10 1 9 5 6 ar 10 5 8 ar 11 6 15 1 12 7 9 ar 13 7 16 1 14 8 9 ar 15 9 17 1 16 10 11 2 17 10 18 1 18 11 12 1 19 11 19 1 20 12 14 1 21 13 20 1 22 13 21 1 23 13 22 1 24 14 24 1 25 14 25 1 26 14 26 1