@MOLECULE 2-(3-methyl-2-butanyl)-9,10-anthraquinone 39 41 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.7288 -2.4187 -0.2137 O.2 1 UNL11111111 -0.4210 2 O 2.2427 2.6996 0.0812 O.2 1 UNL11111111 -0.4261 3 C -3.7233 0.2035 -0.4906 C.3 1 UNL11111111 -0.1256 4 C -4.2483 -0.6883 0.6643 C.3 1 UNL11111111 -0.0634 5 C -2.2566 0.5205 -0.3369 C.ar 1 UNL11111111 0.0332 6 C -3.9346 -0.4875 -1.8458 C.3 1 UNL11111111 -0.4467 7 C -1.2835 -0.4876 -0.2993 C.ar 1 UNL11111111 -0.1262 8 C -5.7342 -1.0189 0.4480 C.3 1 UNL11111111 -0.4522 9 C -4.0920 0.0347 2.0066 C.3 1 UNL11111111 -0.4603 10 C 0.0666 -0.1643 -0.1866 C.ar 1 UNL11111111 -0.0995 11 C -1.8446 1.8524 -0.2716 C.ar 1 UNL11111111 -0.1801 12 C 0.4684 1.1740 -0.1134 C.ar 1 UNL11111111 -0.1382 13 C -0.4926 2.1819 -0.1633 C.ar 1 UNL11111111 -0.0764 14 C 1.0687 -1.2593 -0.1434 C.2 1 UNL11111111 0.4482 15 C 2.5011 -0.8932 -0.0067 C.ar 1 UNL11111111 -0.1143 16 C 1.8967 1.5413 0.0166 C.2 1 UNL11111111 0.4526 17 C 2.8967 0.4456 0.0701 C.ar 1 UNL11111111 -0.1140 18 C 3.4573 -1.9058 0.0458 C.ar 1 UNL11111111 -0.0974 19 C 4.2463 0.7679 0.1987 C.ar 1 UNL11111111 -0.0977 20 C 4.8093 -1.5813 0.1745 C.ar 1 UNL11111111 -0.1380 21 C 5.2027 -0.2480 0.2506 C.ar 1 UNL11111111 -0.1368 22 H -4.3208 1.1507 -0.4846 H 1 UNL11111111 0.1452 23 H -3.6571 -1.6344 0.6888 H 1 UNL11111111 0.1372 24 H -3.5583 -1.5173 -1.8296 H 1 UNL11111111 0.1517 25 H -4.9963 -0.5282 -2.1153 H 1 UNL11111111 0.1488 26 H -3.4150 0.0454 -2.6499 H 1 UNL11111111 0.1498 27 H -1.5811 -1.5377 -0.3642 H 1 UNL11111111 0.1788 28 H -6.3240 -0.1152 0.2767 H 1 UNL11111111 0.1432 29 H -5.8748 -1.6867 -0.4101 H 1 UNL11111111 0.1443 30 H -6.1561 -1.5241 1.3227 H 1 UNL11111111 0.1449 31 H -4.6239 0.9905 2.0135 H 1 UNL11111111 0.1444 32 H -4.4938 -0.5716 2.8269 H 1 UNL11111111 0.1472 33 H -3.0408 0.2381 2.2352 H 1 UNL11111111 0.1502 34 H -2.5845 2.6513 -0.3097 H 1 UNL11111111 0.1571 35 H -0.1786 3.2289 -0.1179 H 1 UNL11111111 0.1755 36 H 3.1422 -2.9512 -0.0144 H 1 UNL11111111 0.1757 37 H 4.5487 1.8172 0.2580 H 1 UNL11111111 0.1764 38 H 5.5550 -2.3746 0.2149 H 1 UNL11111111 0.1548 39 H 6.2575 0.0060 0.3506 H 1 UNL11111111 0.1548 @BOND 1 26 6 1 2 25 6 1 3 6 24 1 4 6 3 1 5 3 22 1 6 3 5 1 7 3 4 1 8 29 8 1 9 27 7 1 10 5 7 ar 11 5 11 ar 12 34 11 1 13 7 10 ar 14 11 13 ar 15 1 14 2 16 10 14 1 17 10 12 ar 18 13 35 1 19 13 12 ar 20 14 15 1 21 12 16 1 22 36 18 1 23 15 18 ar 24 15 17 ar 25 16 17 1 26 16 2 2 27 18 20 ar 28 17 19 ar 29 20 38 1 30 20 21 ar 31 19 21 ar 32 19 37 1 33 21 39 1 34 28 8 1 35 8 4 1 36 8 30 1 37 4 23 1 38 4 9 1 39 9 31 1 40 9 33 1 41 9 32 1