@MOLECULE 1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)-9,10-anthraquinone 58 60 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.6652 -2.2499 0.0573 O.2 1 UNL11111111 -0.5334 2 O 2.6711 -2.2380 -0.0563 O.2 1 UNL11111111 -0.5344 3 O -9.2865 3.4333 -0.0259 O.3 1 UNL11111111 -0.5505 4 O 9.3234 3.4991 0.0041 O.3 1 UNL11111111 -0.5361 5 N -2.7828 0.3282 -0.0200 N.pl3 1 UNL11111111 -0.5225 6 N 2.7762 0.3398 0.0177 N.pl3 1 UNL11111111 -0.5245 7 N -5.7508 2.5824 0.0146 N.3 1 UNL11111111 -0.5428 8 N 5.7306 2.6148 -0.0299 N.3 1 UNL11111111 -0.5318 9 C -0.7137 -0.9325 0.0079 C.ar 1 UNL11111111 -0.2505 10 C 0.7131 -0.9296 -0.0071 C.ar 1 UNL11111111 -0.2487 11 C -1.4165 0.2853 0.0072 C.ar 1 UNL11111111 0.2702 12 C 1.4095 0.2907 -0.0092 C.ar 1 UNL11111111 0.2692 13 C -1.4431 -2.1968 0.0258 C.2 1 UNL11111111 0.4974 14 C 1.4488 -2.1912 -0.0306 C.2 1 UNL11111111 0.4979 15 C -0.6916 -3.4750 0.0110 C.ar 1 UNL11111111 -0.1009 16 C 0.7028 -3.4724 -0.0107 C.ar 1 UNL11111111 -0.1017 17 C -0.6838 1.5217 0.0046 C.ar 1 UNL11111111 -0.1833 18 C 0.6724 1.5244 -0.0071 C.ar 1 UNL11111111 -0.1828 19 C -3.5184 1.5908 0.0168 C.3 1 UNL11111111 -0.0820 20 C 3.5002 1.6087 -0.0275 C.3 1 UNL11111111 -0.0817 21 C -5.0344 1.2894 -0.0170 C.3 1 UNL11111111 -0.1322 22 C 5.0151 1.3184 0.0056 C.3 1 UNL11111111 -0.1366 23 C -1.3887 -4.6832 0.0136 C.ar 1 UNL11111111 -0.0974 24 C 1.4047 -4.6778 -0.0094 C.ar 1 UNL11111111 -0.0975 25 C -0.6867 -5.8877 0.0075 C.ar 1 UNL11111111 -0.1444 26 C 0.7074 -5.8850 -0.0022 C.ar 1 UNL11111111 -0.1448 27 C -7.2152 2.3742 0.0102 C.3 1 UNL11111111 -0.1322 28 C 7.1912 2.3805 -0.0155 C.3 1 UNL11111111 -0.1683 29 C -7.9040 3.7511 0.0201 C.3 1 UNL11111111 -0.0113 30 C 7.9315 3.7311 -0.0135 C.3 1 UNL11111111 -0.0108 31 H -1.2236 2.4671 0.0117 H 1 UNL11111111 0.1591 32 H 1.2079 2.4723 -0.0173 H 1 UNL11111111 0.1591 33 H -3.3054 -0.5480 0.0456 H 1 UNL11111111 0.3572 34 H 3.3035 -0.5325 -0.0356 H 1 UNL11111111 0.3569 35 H -3.2289 2.2215 -0.8569 H 1 UNL11111111 0.1370 36 H -3.2773 2.1688 0.9405 H 1 UNL11111111 0.1529 37 H 3.2102 2.2414 0.8479 H 1 UNL11111111 0.1371 38 H 3.2509 2.1813 -0.9524 H 1 UNL11111111 0.1545 39 H -5.3222 0.7128 0.8908 H 1 UNL11111111 0.1575 40 H -5.2898 0.6644 -0.9029 H 1 UNL11111111 0.1301 41 H 5.2705 0.7005 0.8914 H 1 UNL11111111 0.1278 42 H 5.3063 0.7404 -0.8998 H 1 UNL11111111 0.1586 43 H -2.4822 -4.6736 0.0211 H 1 UNL11111111 0.1753 44 H 2.4979 -4.6640 -0.0216 H 1 UNL11111111 0.1747 45 H -1.2297 -6.8319 0.0124 H 1 UNL11111111 0.1519 46 H 1.2540 -6.8271 -0.0050 H 1 UNL11111111 0.1517 47 H -5.4663 3.1768 -0.7643 H 1 UNL11111111 0.2502 48 H 5.4459 3.2155 0.7429 H 1 UNL11111111 0.2506 49 H -7.5812 1.7795 -0.8549 H 1 UNL11111111 0.1340 50 H -7.5019 1.8140 0.9290 H 1 UNL11111111 0.1602 51 H 7.5248 1.7594 0.8371 H 1 UNL11111111 0.1166 52 H 7.4604 1.8278 -0.9470 H 1 UNL11111111 0.1632 53 H -7.6720 4.3168 0.9397 H 1 UNL11111111 0.1262 54 H -7.6526 4.3540 -0.8677 H 1 UNL11111111 0.1123 55 H 7.7739 4.2836 -0.9592 H 1 UNL11111111 0.1578 56 H 7.6518 4.3687 0.8413 H 1 UNL11111111 0.1129 57 H -9.8215 4.2319 0.1435 H 1 UNL11111111 0.3145 58 H 9.5837 2.9923 0.7990 H 1 UNL11111111 0.3082 @BOND 1 55 30 1 2 38 20 1 3 52 28 1 4 40 21 1 5 42 22 1 6 54 29 1 7 35 19 1 8 49 27 1 9 47 7 1 10 2 14 2 11 34 6 1 12 8 28 1 13 8 22 1 14 8 48 1 15 20 22 1 16 20 6 1 17 20 37 1 18 3 29 1 19 3 57 1 20 14 10 1 21 14 16 1 22 44 24 1 23 32 18 1 24 21 7 1 25 21 19 1 26 21 39 1 27 28 30 1 28 28 51 1 29 5 11 1 30 5 19 1 31 5 33 1 32 24 16 ar 33 24 26 ar 34 30 4 1 35 30 56 1 36 12 10 ar 37 12 18 ar 38 12 6 1 39 10 9 ar 40 18 17 ar 41 16 15 ar 42 46 26 1 43 26 25 ar 44 4 58 1 45 17 11 ar 46 17 31 1 47 22 41 1 48 11 9 ar 49 9 13 1 50 25 45 1 51 25 23 ar 52 15 23 ar 53 15 13 1 54 27 7 1 55 27 29 1 56 27 50 1 57 23 43 1 58 19 36 1 59 29 53 1 60 13 1 2