@MOLECULE 1,1',6,8,8'-pentahydroxy-3,3'-dimethyl-2,2'-bianthracene-9,9',10,10'-tetrone 57 62 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8255 -0.5399 1.5068 O.3 1 UNL1111111111 -0.4542 2 O -1.4955 -0.7185 -1.4685 O.3 1 UNL1111111111 -0.3945 3 O 3.2346 -1.3443 1.8710 O.2 1 UNL1111111111 -0.4839 4 O 4.9619 1.7017 -2.1708 O.2 1 UNL1111111111 -0.3933 5 O -3.8201 -1.6165 -1.6977 O.2 1 UNL1111111111 -0.4811 6 O -5.5447 1.8081 2.0324 O.2 1 UNL1111111111 -0.4115 7 O 5.5122 -2.3471 2.1219 O.3 1 UNL1111111111 -0.3857 8 O -6.1860 -2.6180 -1.9306 O.3 1 UNL1111111111 -0.4748 9 O 9.0570 -0.7357 -0.5267 O.3 1 UNL1111111111 -0.4514 10 C 0.4108 0.9632 -0.2219 C.ar 1 UNL1111111111 -0.1748 11 C -0.9950 0.9608 0.1785 C.ar 1 UNL1111111111 -0.1722 12 C 2.6995 0.1502 0.1621 C.ar 1 UNL1111111111 -0.3342 13 C -3.2639 0.0729 -0.1564 C.ar 1 UNL1111111111 -0.2559 14 C 0.8644 1.7396 -1.2825 C.ar 1 UNL1111111111 0.1351 15 C 3.1246 0.9527 -0.9061 C.ar 1 UNL1111111111 -0.0103 16 C -1.4613 1.7891 1.1943 C.ar 1 UNL1111111111 0.1456 17 C 1.3373 0.1734 0.5026 C.ar 1 UNL1111111111 0.3718 18 C -1.9001 0.0980 -0.4802 C.ar 1 UNL1111111111 0.3489 19 C -3.7072 0.9464 0.8492 C.ar 1 UNL1111111111 -0.0248 20 C 2.2322 1.7307 -1.6203 C.ar 1 UNL1111111111 -0.2174 21 C -2.8298 1.7817 1.5183 C.ar 1 UNL1111111111 -0.2103 22 C 3.6380 -0.6924 0.9196 C.2 1 UNL1111111111 0.5340 23 C 5.0432 -0.7141 0.5070 C.ar 1 UNL1111111111 -0.3027 24 C 5.5051 0.1018 -0.5364 C.ar 1 UNL1111111111 0.0418 25 C 4.5603 0.9849 -1.2849 C.2 1 UNL1111111111 0.4277 26 C -4.1905 -0.8505 -0.8219 C.2 1 UNL1111111111 0.5245 27 C -5.6019 -0.8447 -0.4041 C.ar 1 UNL1111111111 -0.3129 28 C -5.1467 1.0001 1.2253 C.2 1 UNL1111111111 0.4375 29 C -6.0755 0.0399 0.5781 C.ar 1 UNL1111111111 -0.0319 30 C -0.0854 2.5730 -2.0655 C.3 1 UNL1111111111 -0.4693 31 C -0.5305 2.6733 1.9450 C.3 1 UNL1111111111 -0.4656 32 C 5.9812 -1.5449 1.1541 C.ar 1 UNL1111111111 0.3971 33 C 6.8366 0.1214 -0.9125 C.ar 1 UNL1111111111 -0.3363 34 C -6.5197 -1.7323 -0.9857 C.ar 1 UNL1111111111 0.3683 35 C -7.4060 0.0400 0.9590 C.ar 1 UNL1111111111 -0.1811 36 C 7.7425 -0.7074 -0.2257 C.ar 1 UNL1111111111 0.3837 37 C 7.3385 -1.5498 0.8042 C.ar 1 UNL1111111111 -0.4219 38 C -7.8807 -1.7432 -0.6034 C.ar 1 UNL1111111111 -0.2457 39 C -8.3098 -0.8582 0.3625 C.ar 1 UNL1111111111 -0.0655 40 H 2.5894 2.3458 -2.4496 H 1 UNL1111111111 0.1850 41 H -3.2036 2.4394 2.3071 H 1 UNL1111111111 0.1850 42 H 0.4095 3.2235 -2.7991 H 1 UNL1111111111 0.1640 43 H -0.8034 1.9450 -2.6221 H 1 UNL1111111111 0.1812 44 H -0.6906 3.2233 -1.4120 H 1 UNL1111111111 0.1747 45 H 0.1726 3.1978 1.2808 H 1 UNL1111111111 0.1651 46 H -1.0476 3.4381 2.5402 H 1 UNL1111111111 0.1619 47 H 0.0828 2.0777 2.6451 H 1 UNL1111111111 0.1808 48 H 7.1720 0.7667 -1.7239 H 1 UNL1111111111 0.1912 49 H -7.7563 0.7376 1.7222 H 1 UNL1111111111 0.1773 50 H 1.5618 -1.0862 1.9762 H 1 UNL1111111111 0.3856 51 H -0.5017 -0.7645 -1.5362 H 1 UNL1111111111 0.3262 52 H 8.0591 -2.1849 1.3093 H 1 UNL1111111111 0.1913 53 H -8.5550 -2.4506 -1.0824 H 1 UNL1111111111 0.1786 54 H -9.3555 -0.8470 0.6732 H 1 UNL1111111111 0.1540 55 H 6.2346 -2.8715 2.5640 H 1 UNL1111111111 0.3237 56 H -5.1895 -2.5443 -2.1577 H 1 UNL1111111111 0.3838 57 H 9.2909 -0.1205 -1.2698 H 1 UNL1111111111 0.3381 @BOND 1 1 17 1 2 1 50 1 3 2 18 1 4 2 51 1 5 3 22 2 6 4 25 2 7 5 26 2 8 6 28 2 9 7 32 1 10 7 55 1 11 8 34 1 12 8 56 1 13 9 36 1 14 9 57 1 15 10 11 1 16 10 14 ar 17 10 17 ar 18 11 16 ar 19 11 18 ar 20 12 15 ar 21 12 17 ar 22 12 22 1 23 13 18 ar 24 13 19 ar 25 13 26 1 26 14 20 ar 27 14 30 1 28 15 20 ar 29 15 25 1 30 16 21 ar 31 16 31 1 32 19 21 ar 33 19 28 1 34 20 40 1 35 21 41 1 36 22 23 1 37 23 24 ar 38 23 32 ar 39 24 25 1 40 24 33 ar 41 26 27 1 42 27 29 ar 43 27 34 ar 44 28 29 1 45 29 35 ar 46 30 42 1 47 30 43 1 48 30 44 1 49 31 45 1 50 31 46 1 51 31 47 1 52 32 37 ar 53 33 36 ar 54 33 48 1 55 34 38 ar 56 35 39 ar 57 35 49 1 58 36 37 ar 59 37 52 1 60 38 39 ar 61 38 53 1 62 39 54 1