@MOLECULE 3-{[bis(2-chloroethyl)amino]methyl}-1,8-dihydroxy-9,10-anthraquinone 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 CL 2.7893 -1.9867 3.2927 Cl 1 UNL1111111111 -0.1694 2 CL 6.3199 -0.1605 -2.2494 Cl 1 UNL1111111111 -0.1723 3 O -1.9497 3.4427 0.8495 O.3 1 UNL1111111111 -0.3921 4 O -0.7730 -1.9986 -1.1787 O.2 1 UNL1111111111 -0.4056 5 O -3.9446 1.9733 0.4957 O.2 1 UNL1111111111 -0.4772 6 O -6.0375 0.4956 0.1635 O.3 1 UNL1111111111 -0.4707 7 N 3.2146 0.4555 0.1738 N.3 1 UNL1111111111 -0.4379 8 C 2.5449 1.7437 -0.1200 C.3 1 UNL1111111111 -0.1343 9 C 1.0485 1.5715 -0.0504 C.ar 1 UNL1111111111 0.0963 10 C -0.9199 0.2108 -0.3948 C.ar 1 UNL1111111111 -0.0342 11 C -1.7519 1.2474 0.0534 C.ar 1 UNL1111111111 -0.2390 12 C 0.4554 0.3677 -0.4602 C.ar 1 UNL1111111111 -0.1777 13 C 3.0660 0.0608 1.5938 C.3 1 UNL1111111111 -0.1311 14 C 4.6270 0.4549 -0.2693 C.3 1 UNL1111111111 -0.1325 15 C 0.2569 2.6168 0.4006 C.ar 1 UNL1111111111 -0.3460 16 C -1.1390 2.4489 0.4399 C.ar 1 UNL1111111111 0.3469 17 C -3.7791 -0.2166 -0.2941 C.ar 1 UNL1111111111 -0.3171 18 C -2.9654 -1.2706 -0.7426 C.ar 1 UNL1111111111 -0.0339 19 C -1.4927 -1.1004 -0.8080 C.2 1 UNL1111111111 0.4381 20 C -3.2106 1.0754 0.1156 C.2 1 UNL1111111111 0.5175 21 C 2.8972 -1.4604 1.5979 C.3 1 UNL1111111111 -0.1736 22 C 4.6304 -0.1069 -1.6934 C.3 1 UNL1111111111 -0.1699 23 C -5.1647 -0.4306 -0.2471 C.ar 1 UNL1111111111 0.3721 24 C -3.5124 -2.4814 -1.1274 C.ar 1 UNL1111111111 -0.1772 25 C -5.7354 -1.6642 -0.6383 C.ar 1 UNL1111111111 -0.2428 26 C -4.9058 -2.6746 -1.0737 C.ar 1 UNL1111111111 -0.0643 27 H 2.8119 2.0542 -1.1617 H 1 UNL1111111111 0.1639 28 H 2.8881 2.5664 0.5467 H 1 UNL1111111111 0.1337 29 H 1.0877 -0.4514 -0.8234 H 1 UNL1111111111 0.2009 30 H 2.1632 0.5421 2.0379 H 1 UNL1111111111 0.1601 31 H 3.9224 0.3765 2.2279 H 1 UNL1111111111 0.1380 32 H 5.2433 -0.1936 0.3959 H 1 UNL1111111111 0.1572 33 H 5.0987 1.4610 -0.2324 H 1 UNL1111111111 0.1378 34 H 0.6977 3.5561 0.7191 H 1 UNL1111111111 0.1665 35 H 1.9672 -1.7789 1.0951 H 1 UNL1111111111 0.1725 36 H 3.7489 -1.9906 1.1456 H 1 UNL1111111111 0.1575 37 H 4.2362 -1.1360 -1.7385 H 1 UNL1111111111 0.1686 38 H 4.0741 0.5194 -2.4069 H 1 UNL1111111111 0.1564 39 H -2.8652 -3.2902 -1.4727 H 1 UNL1111111111 0.1778 40 H -6.8161 -1.7834 -0.5846 H 1 UNL1111111111 0.1801 41 H -5.3216 -3.6356 -1.3807 H 1 UNL1111111111 0.1556 42 H -1.4433 4.2391 1.1603 H 1 UNL1111111111 0.3178 43 H -5.5538 1.3575 0.4296 H 1 UNL1111111111 0.3831 @BOND 1 1 21 1 2 2 22 1 3 3 16 1 4 3 42 1 5 4 19 2 6 5 20 2 7 6 23 1 8 6 43 1 9 7 8 1 10 7 13 1 11 7 14 1 12 8 9 1 13 8 27 1 14 8 28 1 15 9 12 ar 16 9 15 ar 17 10 11 ar 18 10 12 ar 19 10 19 1 20 11 16 ar 21 11 20 1 22 12 29 1 23 13 21 1 24 13 30 1 25 13 31 1 26 14 22 1 27 14 32 1 28 14 33 1 29 15 16 ar 30 15 34 1 31 17 18 ar 32 17 20 1 33 17 23 ar 34 18 19 1 35 18 24 ar 36 21 35 1 37 21 36 1 38 22 37 1 39 22 38 1 40 23 25 ar 41 24 26 ar 42 24 39 1 43 25 26 ar 44 25 40 1 45 26 41 1