@MOLECULE 5-[(3-aminopropyl)amino]-6-hydroxy-2-{2-[(2-hydroxyethyl)amino]ethyl}-1,2-dihydrodibenzo[cd,g]indazole-7,10-dione 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9647 -1.1190 -0.8101 O.3 1 UNL1111111111 -0.5235 2 O 1.9545 -4.1875 0.7109 O.2 1 UNL1111111111 -0.4688 3 O -2.7944 -3.5280 -1.6236 O.2 1 UNL1111111111 -0.5348 4 O 6.2839 3.8151 -2.6064 O.3 1 UNL1111111111 -0.5433 5 N 2.0968 -0.1048 2.0032 N.ar 1 UNL1111111111 -0.2144 6 N 2.1185 -1.3829 1.2895 N.ar 1 UNL1111111111 -0.3456 7 N -2.8587 1.5309 -0.0645 N.pl3 1 UNL1111111111 -0.4994 8 N 4.7123 1.8667 0.0946 N.3 1 UNL1111111111 -0.5418 9 N -7.0730 3.9709 -0.5816 N.3 1 UNL1111111111 -0.6441 10 C 0.1129 -0.3602 0.8302 C.ar 1 UNL1111111111 -0.0037 11 C 0.8394 -1.6065 0.7454 C.ar 1 UNL1111111111 0.1944 12 C 0.8900 0.5591 1.5548 C.ar 1 UNL1111111111 -0.0033 13 C -1.1543 -0.1322 0.3155 C.ar 1 UNL1111111111 -0.1975 14 C 0.2535 -2.6858 0.1427 C.ar 1 UNL1111111111 -0.2061 15 C 3.3395 0.6437 1.7045 C.3 1 UNL1111111111 -0.1243 16 C -1.6721 1.1849 0.5248 C.ar 1 UNL1111111111 0.2977 17 C -1.0576 -2.5017 -0.4296 C.ar 1 UNL1111111111 -0.3278 18 C -1.7294 -1.2870 -0.3315 C.ar 1 UNL1111111111 0.4156 19 C 0.3638 1.8206 1.7879 C.ar 1 UNL1111111111 -0.0665 20 C -0.9023 2.1111 1.2751 C.ar 1 UNL1111111111 -0.3064 21 C 3.5182 1.0018 0.2108 C.3 1 UNL1111111111 -0.1436 22 C 0.9120 -3.9877 0.1203 C.2 1 UNL1111111111 0.4743 23 C -1.6791 -3.6222 -1.1165 C.2 1 UNL1111111111 0.5138 24 C -3.5841 2.7481 0.3200 C.3 1 UNL1111111111 -0.0736 25 C 0.2490 -5.0772 -0.6416 C.2 1 UNL1111111111 -0.1794 26 C -0.9470 -4.9047 -1.2110 C.2 1 UNL1111111111 -0.2054 27 C -4.9593 2.7598 -0.3610 C.3 1 UNL1111111111 -0.3083 28 C 4.8710 2.3777 -1.2844 C.3 1 UNL1111111111 -0.1639 29 C -5.7196 4.0447 0.0112 C.3 1 UNL1111111111 -0.0973 30 C 6.0389 3.3838 -1.2857 C.3 1 UNL1111111111 -0.0066 31 H 2.5234 -2.1212 1.8703 H 1 UNL1111111111 0.3280 32 H 4.2007 0.0408 2.0668 H 1 UNL1111111111 0.1534 33 H 3.3141 1.5717 2.3219 H 1 UNL1111111111 0.1660 34 H 0.9155 2.5693 2.3537 H 1 UNL1111111111 0.1641 35 H -1.3073 3.1039 1.4567 H 1 UNL1111111111 0.1657 36 H 2.6289 1.5648 -0.1505 H 1 UNL1111111111 0.1511 37 H 3.5802 0.0746 -0.3998 H 1 UNL1111111111 0.1405 38 H -3.3933 0.8031 -0.5284 H 1 UNL1111111111 0.3363 39 H -3.7002 2.8004 1.4281 H 1 UNL1111111111 0.1396 40 H -2.9891 3.6378 0.0058 H 1 UNL1111111111 0.1426 41 H 0.8079 -6.0129 -0.6932 H 1 UNL1111111111 0.1766 42 H 5.5499 1.3612 0.3862 H 1 UNL1111111111 0.2538 43 H -1.4592 -5.6879 -1.7736 H 1 UNL1111111111 0.1791 44 H -4.8519 2.6806 -1.4600 H 1 UNL1111111111 0.1546 45 H -5.5627 1.8786 -0.0556 H 1 UNL1111111111 0.1722 46 H -3.2936 -1.9750 -1.2991 H 1 UNL1111111111 0.4071 47 H 5.0607 1.5801 -2.0348 H 1 UNL1111111111 0.1335 48 H 3.9323 2.8877 -1.5900 H 1 UNL1111111111 0.1427 49 H -5.8334 4.1145 1.1164 H 1 UNL1111111111 0.1416 50 H -5.1497 4.9400 -0.3165 H 1 UNL1111111111 0.1082 51 H 5.8388 4.2505 -0.6331 H 1 UNL1111111111 0.1262 52 H 6.9977 2.9175 -0.9940 H 1 UNL1111111111 0.1416 53 H -7.6662 4.7168 -0.2605 H 1 UNL1111111111 0.2500 54 H -7.0466 3.9821 -1.5873 H 1 UNL1111111111 0.2489 55 H 5.5336 4.3385 -2.9479 H 1 UNL1111111111 0.3104 @BOND 1 1 18 1 2 1 46 1 3 2 22 2 4 3 23 2 5 4 30 1 6 4 55 1 7 5 6 ar 8 5 12 ar 9 5 15 1 10 6 11 ar 11 6 31 1 12 7 16 1 13 7 24 1 14 7 38 1 15 8 21 1 16 8 28 1 17 8 42 1 18 9 29 1 19 9 53 1 20 9 54 1 21 10 11 ar 22 10 12 ar 23 10 13 ar 24 11 14 ar 25 12 19 ar 26 13 16 ar 27 13 18 ar 28 14 17 ar 29 14 22 1 30 15 21 1 31 15 32 1 32 15 33 1 33 16 20 ar 34 17 18 ar 35 17 23 1 36 19 20 ar 37 19 34 1 38 20 35 1 39 21 36 1 40 21 37 1 41 22 25 1 42 23 26 1 43 24 27 1 44 24 39 1 45 24 40 1 46 25 26 2 47 25 41 1 48 26 43 1 49 27 29 1 50 27 44 1 51 27 45 1 52 28 30 1 53 28 47 1 54 28 48 1 55 29 49 1 56 29 50 1 57 30 51 1 58 30 52 1