@MOLECULE (2e)-4-(4,5-dihydroxy-10-oxo-9,10-dihydro-9-anthracenyl)-4-oxo-2-butenoic acid 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5008 0.0245 0.8933 O.2 1 UNL1111111111 -0.4876 2 O 3.6429 2.5110 0.5837 O.3 1 UNL1111111111 -0.3920 3 O 3.6947 -2.5365 0.6322 O.3 1 UNL1111111111 -0.4712 4 O -1.1158 -0.0826 1.4787 O.2 1 UNL1111111111 -0.3659 5 O -6.0664 -0.0719 1.2423 O.3 1 UNL1111111111 -0.5423 6 O -5.5897 0.0332 -0.9346 O.2 1 UNL1111111111 -0.4911 7 C -0.2992 -0.0122 -0.7699 C.3 1 UNL1111111111 -0.2671 8 C 0.4609 1.2700 -0.5952 C.ar 1 UNL1111111111 0.1341 9 C 0.5047 -1.2716 -0.6250 C.ar 1 UNL1111111111 0.1393 10 C 1.7581 1.2798 -0.0709 C.ar 1 UNL1111111111 -0.2687 11 C 1.7943 -1.2365 -0.0820 C.ar 1 UNL1111111111 -0.3501 12 C 2.4312 0.0283 0.3044 C.2 1 UNL1111111111 0.5360 13 C -1.3888 -0.0438 0.3095 C.2 1 UNL1111111111 0.4517 14 C -0.1723 2.4586 -0.9603 C.ar 1 UNL1111111111 -0.2872 15 C -0.0692 -2.4758 -1.0157 C.ar 1 UNL1111111111 -0.2931 16 C 2.3955 2.5255 0.0805 C.ar 1 UNL1111111111 0.3626 17 C 2.4750 -2.4569 0.0936 C.ar 1 UNL1111111111 0.3991 18 C 0.4824 3.6802 -0.7992 C.ar 1 UNL1111111111 -0.0079 19 C 0.6367 -3.6764 -0.8522 C.ar 1 UNL1111111111 -0.0207 20 C 1.7684 3.7273 -0.2812 C.ar 1 UNL1111111111 -0.3506 21 C 1.9020 -3.6829 -0.2980 C.ar 1 UNL1111111111 -0.2925 22 C -2.7916 -0.0208 -0.1757 C.2 1 UNL1111111111 -0.2060 23 C -3.8067 -0.0477 0.6924 C.2 1 UNL1111111111 -0.1594 24 C -5.1976 -0.0229 0.2027 C.2 1 UNL1111111111 0.6200 25 H -0.7574 -0.0085 -1.7984 H 1 UNL1111111111 0.1901 26 H -1.1795 2.4411 -1.3692 H 1 UNL1111111111 0.1631 27 H -1.0658 -2.5010 -1.4459 H 1 UNL1111111111 0.1590 28 H -0.0227 4.6047 -1.0852 H 1 UNL1111111111 0.1512 29 H 0.1723 -4.6139 -1.1625 H 1 UNL1111111111 0.1495 30 H 2.2802 4.6753 -0.1535 H 1 UNL1111111111 0.1669 31 H 2.4646 -4.6018 -0.1521 H 1 UNL1111111111 0.1814 32 H -2.9474 0.0203 -1.2567 H 1 UNL1111111111 0.1810 33 H 4.0429 3.4205 0.6271 H 1 UNL1111111111 0.3186 34 H 4.0270 -1.6098 0.9189 H 1 UNL1111111111 0.3847 35 H -3.6712 -0.0890 1.7810 H 1 UNL1111111111 0.2064 36 H -7.0180 -0.0592 0.9661 H 1 UNL1111111111 0.3588 @BOND 1 1 12 2 2 2 16 1 3 2 33 1 4 3 17 1 5 3 34 1 6 4 13 2 7 5 24 1 8 5 36 1 9 6 24 2 10 7 8 1 11 7 9 1 12 7 13 1 13 7 25 1 14 8 10 ar 15 8 14 ar 16 9 11 ar 17 9 15 ar 18 10 12 1 19 10 16 ar 20 11 12 1 21 11 17 ar 22 13 22 1 23 14 18 ar 24 14 26 1 25 15 19 ar 26 15 27 1 27 16 20 ar 28 17 21 ar 29 18 20 ar 30 18 28 1 31 19 21 ar 32 19 29 1 33 20 30 1 34 21 31 1 35 22 23 2 36 22 32 1 37 23 24 1 38 23 35 1