@MOLECULE 1,4-dihydroxy-5,8-bis[(2-hydroxyethyl)amino]-9,10-anthraquinone 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4113 1.1738 0.5388 O.2 1 UNL1111111111 -0.4493 2 O 2.7940 0.2358 0.3597 O.2 1 UNL1111111111 -0.6190 3 O -2.0645 3.5663 -0.2034 O.3 1 UNL1111111111 -0.3994 4 O 3.3194 2.7354 0.0399 O.3 1 UNL1111111111 -0.4693 5 O -5.6897 -0.6865 0.2381 O.3 1 UNL1111111111 -0.5254 6 O 4.2344 -2.0206 -1.3559 O.3 1 UNL1111111111 -0.5389 7 N -2.9646 -1.2632 -0.4283 N.pl3 1 UNL1111111111 -0.5037 8 N 2.3757 -2.3157 0.8856 N.pl3 1 UNL1111111111 -0.5019 9 C -0.7500 -0.4347 0.1386 C.ar 1 UNL1111111111 -0.2201 10 C 0.6351 -0.6888 0.3104 C.ar 1 UNL1111111111 -0.2209 11 C -1.6424 -1.4924 -0.0849 C.ar 1 UNL1111111111 0.2420 12 C 1.0961 -2.0083 0.4322 C.ar 1 UNL1111111111 0.2393 13 C -0.2925 2.0598 0.0788 C.ar 1 UNL1111111111 -0.1352 14 C 1.0918 1.8027 0.1238 C.ar 1 UNL1111111111 -0.2509 15 C -1.2508 0.9495 0.2632 C.2 1 UNL1111111111 0.4929 16 C 1.5766 0.4291 0.2875 C.2 1 UNL1111111111 0.5550 17 C -1.1357 -2.8316 -0.0599 C.ar 1 UNL1111111111 -0.1813 18 C 0.1781 -3.0807 0.2100 C.ar 1 UNL1111111111 -0.1734 19 C -0.7285 3.3630 -0.1317 C.ar 1 UNL1111111111 0.2479 20 C 1.9863 2.8688 -0.0064 C.ar 1 UNL1111111111 0.3223 21 C -3.9629 -2.3288 -0.2668 C.3 1 UNL1111111111 -0.1379 22 C 3.1100 -3.4303 0.2622 C.3 1 UNL1111111111 -0.1396 23 C 0.1819 4.4384 -0.2740 C.ar 1 UNL1111111111 -0.2071 24 C 1.5317 4.1970 -0.2048 C.ar 1 UNL1111111111 -0.1739 25 C -5.3528 -1.7591 -0.6086 C.3 1 UNL1111111111 -0.0219 26 C 4.4552 -2.9403 -0.3144 C.3 1 UNL1111111111 -0.0287 27 H -1.8141 -3.6620 -0.2485 H 1 UNL1111111111 0.1575 28 H 0.5411 -4.1063 0.2778 H 1 UNL1111111111 0.1615 29 H -3.3343 -0.3208 -0.2509 H 1 UNL1111111111 0.3475 30 H 2.9667 -1.5081 1.1015 H 1 UNL1111111111 0.3221 31 H -3.9578 -2.7421 0.7666 H 1 UNL1111111111 0.1324 32 H -3.7283 -3.1675 -0.9624 H 1 UNL1111111111 0.1478 33 H 2.5205 -3.9082 -0.5507 H 1 UNL1111111111 0.1537 34 H 3.2852 -4.2048 1.0433 H 1 UNL1111111111 0.1483 35 H -0.1970 5.4462 -0.4317 H 1 UNL1111111111 0.1619 36 H 2.2701 4.9928 -0.3007 H 1 UNL1111111111 0.1790 37 H -6.1319 -2.5386 -0.5470 H 1 UNL1111111111 0.1202 38 H -5.3733 -1.2897 -1.6136 H 1 UNL1111111111 0.1610 39 H 5.0050 -3.7631 -0.8082 H 1 UNL1111111111 0.1461 40 H 5.0980 -2.4814 0.4579 H 1 UNL1111111111 0.1242 41 H -2.2838 4.5115 -0.4036 H 1 UNL1111111111 0.3109 42 H 3.5716 1.7558 0.1646 H 1 UNL1111111111 0.3795 43 H -5.6151 -0.9369 1.1811 H 1 UNL1111111111 0.3126 44 H 3.8010 -1.2079 -1.0042 H 1 UNL1111111111 0.3322 @BOND 1 1 15 2 2 2 16 2 3 3 19 1 4 3 41 1 5 4 20 1 6 4 42 1 7 5 25 1 8 5 43 1 9 6 26 1 10 6 44 1 11 7 11 1 12 7 21 1 13 7 29 1 14 8 12 1 15 8 22 1 16 8 30 1 17 9 10 ar 18 9 11 ar 19 9 15 1 20 10 12 ar 21 10 16 1 22 11 17 ar 23 12 18 ar 24 13 14 ar 25 13 15 1 26 13 19 ar 27 14 16 1 28 14 20 ar 29 17 18 ar 30 17 27 1 31 18 28 1 32 19 23 ar 33 20 24 ar 34 21 25 1 35 21 31 1 36 21 32 1 37 22 26 1 38 22 33 1 39 22 34 1 40 23 24 ar 41 23 35 1 42 24 36 1 43 25 37 1 44 25 38 1 45 26 39 1 46 26 40 1