@MOLECULE 2,6-bis(2-(diethylamino)ethoxy)anthraquinone 63 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8712 -0.6731 -0.0445 O.3 1 UNL11111 -0.3459 2 O 4.9952 0.6724 0.0431 O.3 1 UNL11111 -0.3462 3 O -0.3775 -2.6349 -0.3503 O.2 1 UNL11111 -0.4303 4 O 0.5069 2.6354 -0.3455 O.2 1 UNL11111 -0.4305 5 N -8.4338 -0.0887 0.1228 N.3 1 UNL11111 -0.4449 6 N 8.5557 0.0840 0.2011 N.3 1 UNL11111 -0.4245 7 C -7.1822 -0.8764 0.0962 C.3 1 UNL11111 -0.1359 8 C 7.3043 0.8745 0.2008 C.3 1 UNL11111 -0.1403 9 C -1.3053 -0.4803 -0.2059 C.ar 1 UNL11111 -0.0384 10 C 1.4311 0.4809 -0.1804 C.ar 1 UNL11111 -0.0380 11 C -1.0706 0.9034 -0.2111 C.ar 1 UNL11111 -0.2088 12 C 1.1960 -0.9022 -0.1829 C.ar 1 UNL11111 -0.2077 13 C -6.0383 0.1559 0.0095 C.3 1 UNL11111 -0.0406 14 C 6.1593 -0.1570 0.1393 C.3 1 UNL11111 -0.0399 15 C -9.0123 0.0519 -1.2376 C.3 1 UNL11111 -0.0909 16 C -9.4155 -0.6369 1.0896 C.3 1 UNL11111 -0.0867 17 C 9.1048 -0.0607 -1.1698 C.3 1 UNL11111 -0.0997 18 C 9.5489 0.6395 1.1512 C.3 1 UNL11111 -0.3678 19 C -0.1718 -1.4458 -0.2574 C.2 1 UNL11111 0.4615 20 C 0.2982 1.4464 -0.2573 C.2 1 UNL11111 0.4617 21 C -3.6697 -0.0608 -0.1012 C.ar 1 UNL11111 0.2881 22 C 3.7928 0.0609 -0.0276 C.ar 1 UNL11111 0.2877 23 C -2.5942 -0.9740 -0.1521 C.ar 1 UNL11111 -0.2094 24 C 2.7210 0.9742 -0.1054 C.ar 1 UNL11111 -0.2089 25 C -2.1456 1.7897 -0.1700 C.ar 1 UNL11111 -0.0109 26 C 2.2692 -1.7898 -0.1119 C.ar 1 UNL11111 -0.0119 27 C -3.4561 1.3170 -0.1124 C.ar 1 UNL11111 -0.3110 28 C 3.5781 -1.3176 -0.0304 C.ar 1 UNL11111 -0.3089 29 C -9.8845 1.3133 -1.2888 C.3 1 UNL11111 -0.4454 30 C -8.9906 -0.2603 2.5150 C.3 1 UNL11111 -0.4461 31 C 9.9739 -1.3214 -1.2379 C.3 1 UNL11111 -0.4470 32 C 9.1812 0.3285 2.5269 C.3 1 UNL11111 0.1624 33 H -7.0610 -1.4819 1.0203 H 1 UNL11111 0.1525 34 H -7.1193 -1.5950 -0.7472 H 1 UNL11111 0.1356 35 H 7.2020 1.4783 1.1283 H 1 UNL11111 0.1515 36 H 7.2259 1.5878 -0.6476 H 1 UNL11111 0.1389 37 H -6.0045 0.7996 0.9043 H 1 UNL11111 0.1417 38 H -6.0989 0.7707 -0.9028 H 1 UNL11111 0.1346 39 H 6.1122 -0.7654 1.0584 H 1 UNL11111 0.1455 40 H 6.2293 -0.8061 -0.7485 H 1 UNL11111 0.1360 41 H -8.1820 0.1573 -1.9717 H 1 UNL11111 0.1363 42 H -9.5997 -0.8379 -1.5472 H 1 UNL11111 0.1131 43 H -10.4110 -0.1852 0.8700 H 1 UNL11111 0.1376 44 H -9.5394 -1.7366 0.9985 H 1 UNL11111 0.1119 45 H 8.2537 -0.1716 -1.8790 H 1 UNL11111 0.1413 46 H 9.6800 0.8281 -1.5035 H 1 UNL11111 0.1149 47 H 10.5435 0.1607 0.9399 H 1 UNL11111 0.1827 48 H 9.7290 1.7328 1.0209 H 1 UNL11111 0.1587 49 H -2.7919 -2.0493 -0.1511 H 1 UNL11111 0.1963 50 H 2.9179 2.0488 -0.1073 H 1 UNL11111 0.1963 51 H -1.9527 2.8679 -0.1815 H 1 UNL11111 0.1726 52 H 2.0752 -2.8671 -0.1246 H 1 UNL11111 0.1726 53 H -4.2817 2.0205 -0.0775 H 1 UNL11111 0.1699 54 H 4.4023 -2.0212 0.0286 H 1 UNL11111 0.1699 55 H -10.8153 1.1925 -0.7259 H 1 UNL11111 0.1425 56 H -9.3531 2.1684 -0.8491 H 1 UNL11111 0.1615 57 H -10.1450 1.5690 -2.3203 H 1 UNL11111 0.1422 58 H -8.0789 -0.7818 2.8241 H 1 UNL11111 0.1463 59 H -8.7847 0.8165 2.5833 H 1 UNL11111 0.1601 60 H -9.7782 -0.5008 3.2354 H 1 UNL11111 0.1417 61 H 10.9209 -1.2013 -0.7044 H 1 UNL11111 0.1393 62 H 9.4530 -2.1761 -0.7835 H 1 UNL11111 0.1630 63 H 10.2045 -1.5857 -2.2753 H 1 UNL11111 0.1482 @BOND 1 62 31 1 2 63 31 1 3 52 26 1 4 31 61 1 5 31 17 1 6 3 19 2 7 54 28 1 8 26 28 ar 9 26 12 ar 10 28 22 ar 11 40 14 1 12 49 23 1 13 45 17 1 14 17 6 1 15 17 46 1 16 39 14 1 17 19 12 1 18 19 9 1 19 47 18 1 20 12 10 ar 21 6 18 1 22 6 8 1 23 14 8 1 24 14 2 1 25 34 7 1 26 23 9 ar 27 23 21 ar 28 32 18 1 29 18 48 1 30 22 2 1 31 22 24 ar 32 33 7 1 33 9 11 ar 34 44 16 1 35 8 36 1 36 8 35 1 37 1 21 1 38 1 13 1 39 7 13 1 40 7 5 1 41 10 24 ar 42 10 20 1 43 42 15 1 44 21 27 ar 45 24 50 1 46 58 30 1 47 16 5 1 48 16 30 1 49 16 43 1 50 13 38 1 51 13 37 1 52 41 15 1 53 11 20 1 54 11 25 ar 55 5 15 1 56 15 29 1 57 60 30 1 58 30 59 1 59 20 4 2 60 27 25 ar 61 27 53 1 62 25 51 1 63 29 55 1 64 29 57 1 65 29 56 1