@MOLECULE 2-[(3r)-7,8-dimethoxy-3,4-dihydro-2h-chromen-3-yl]-6-hydroxy-1,4-benzoquinone 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.1705 0.8372 -1.0395 O.3 1 UNL1111111111 -0.3101 2 O 3.8539 1.0151 -1.1851 O.3 1 UNL1111111111 -0.3040 3 O 5.4231 -0.6507 0.6026 O.3 1 UNL1111111111 -0.2993 4 O -2.7934 1.6963 1.5051 O.2 1 UNL1111111111 -0.3221 5 O -5.4171 1.4572 1.3551 O.2 1 UNL1111111111 -0.4016 6 O -4.7518 -1.9792 -1.8189 O.2 1 UNL1111111111 -0.4058 7 C -0.8750 0.1833 0.1133 C.3 1 UNL1111111111 -0.1627 8 C -0.2011 -1.0738 0.6946 C.3 1 UNL1111111111 -0.2444 9 C -0.2024 0.5115 -1.2267 C.3 1 UNL1111111111 -0.0480 10 C 1.2837 -0.9293 0.6308 C.ar 1 UNL1111111111 -0.1738 11 C -2.3444 -0.0240 -0.0639 C.2 1 UNL1111111111 -0.0732 12 C 1.8728 -0.0017 -0.2313 C.ar 1 UNL1111111111 0.2078 13 C 2.1091 -1.7207 1.4345 C.ar 1 UNL1111111111 -0.0801 14 C 3.2687 0.1667 -0.2830 C.ar 1 UNL1111111111 -0.0300 15 C -3.2227 0.8595 0.7572 C.2 1 UNL1111111111 0.3925 16 C -2.8643 -0.9378 -0.8922 C.2 1 UNL1111111111 -0.2276 17 C 4.0724 -0.6427 0.5268 C.ar 1 UNL1111111111 0.2317 18 C 3.4871 -1.5921 1.3857 C.ar 1 UNL1111111111 -0.2777 19 C -4.7013 0.6302 0.5798 C.2 1 UNL1111111111 0.2232 20 C -4.3304 -1.1423 -1.0562 C.2 1 UNL1111111111 0.4713 21 C -5.2133 -0.2898 -0.2546 C.2 1 UNL1111111111 -0.4464 22 C 3.5571 2.3901 -0.9417 C.3 1 UNL1111111111 -0.2094 23 C 6.1539 0.2050 -0.2671 C.3 1 UNL1111111111 -0.1909 24 H -0.6775 1.0400 0.8181 H 1 UNL1111111111 0.1892 25 H -0.5153 -1.9834 0.1401 H 1 UNL1111111111 0.1544 26 H -0.5365 -1.2298 1.7413 H 1 UNL1111111111 0.1565 27 H -0.2605 -0.3238 -1.9465 H 1 UNL1111111111 0.1384 28 H -0.5946 1.4368 -1.6879 H 1 UNL1111111111 0.1498 29 H 1.6603 -2.4509 2.1090 H 1 UNL1111111111 0.1565 30 H -2.2463 -1.6007 -1.5042 H 1 UNL1111111111 0.1880 31 H 4.1334 -2.2120 2.0032 H 1 UNL1111111111 0.1783 32 H -6.2792 -0.4567 -0.3861 H 1 UNL1111111111 0.1925 33 H 3.7849 2.6706 0.0895 H 1 UNL1111111111 0.1288 34 H 2.5092 2.6043 -1.1777 H 1 UNL1111111111 0.1439 35 H 4.2199 2.9033 -1.6483 H 1 UNL1111111111 0.1441 36 H -6.4000 1.3187 1.2521 H 1 UNL1111111111 0.3316 37 H 5.9592 1.2549 -0.0310 H 1 UNL1111111111 0.1376 38 H 5.9234 -0.0106 -1.3164 H 1 UNL1111111111 0.1477 39 H 7.1915 -0.0656 -0.0316 H 1 UNL1111111111 0.1435 @BOND 1 1 9 1 2 1 12 1 3 2 14 1 4 2 22 1 5 3 17 1 6 3 23 1 7 4 15 2 8 5 19 1 9 5 36 1 10 6 20 2 11 7 8 1 12 7 9 1 13 7 11 1 14 7 24 1 15 8 10 1 16 8 25 1 17 8 26 1 18 9 27 1 19 9 28 1 20 10 12 ar 21 10 13 ar 22 11 15 1 23 11 16 2 24 12 14 ar 25 13 18 ar 26 13 29 1 27 14 17 ar 28 15 19 1 29 16 20 1 30 16 30 1 31 17 18 ar 32 18 31 1 33 19 21 2 34 20 21 1 35 21 32 1 36 22 33 1 37 22 34 1 38 22 35 1 39 23 37 1 40 23 38 1 41 23 39 1