@MOLECULE pixantrone 43 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6679 1.3739 0.0077 O.2 1 UNL1111111111 -0.5223 2 O 2.6735 1.3535 -0.0271 O.2 1 UNL1111111111 -0.5318 3 N -2.7947 -1.2089 0.0312 N.pl3 1 UNL1111111111 -0.5149 4 N 2.7769 -1.2232 -0.0093 N.pl3 1 UNL1111111111 -0.5119 5 N 0.7432 4.9807 0.0005 N.ar 1 UNL1111111111 -0.3723 6 N -5.7573 -3.4789 -0.0435 N.3 1 UNL1111111111 -0.6416 7 N 5.7982 -3.5142 0.0402 N.3 1 UNL1111111111 -0.6333 8 C -0.7203 0.0464 -0.0017 C.ar 1 UNL1111111111 -0.2567 9 C 0.7095 0.0436 -0.0099 C.ar 1 UNL1111111111 -0.2516 10 C -1.4291 -1.1693 0.0020 C.ar 1 UNL1111111111 0.2781 11 C 1.4096 -1.1742 -0.0123 C.ar 1 UNL1111111111 0.2731 12 C -1.4472 1.3077 0.0052 C.2 1 UNL1111111111 0.4868 13 C 1.4509 1.3012 -0.0169 C.2 1 UNL1111111111 0.5086 14 C -0.6895 2.5881 0.0089 C.ar 1 UNL1111111111 -0.0282 15 C 0.7020 2.5735 -0.0066 C.ar 1 UNL1111111111 -0.2038 16 C -0.6909 -2.4068 -0.0084 C.ar 1 UNL1111111111 -0.1770 17 C 0.6641 -2.4073 -0.0132 C.ar 1 UNL1111111111 -0.1818 18 C -3.5459 -2.4643 0.0018 C.3 1 UNL1111111111 -0.0792 19 C 3.4982 -2.4936 -0.0199 C.3 1 UNL1111111111 -0.1291 20 C -1.3647 3.8068 0.0241 C.ar 1 UNL1111111111 -0.1982 21 C 1.3877 3.8008 -0.0124 C.ar 1 UNL1111111111 0.1076 22 C -5.0666 -2.1717 -0.0120 C.3 1 UNL1111111111 -0.1255 23 C 5.0321 -2.2613 0.0177 C.3 1 UNL1111111111 -0.1165 24 C -0.6042 4.9842 0.0179 C.ar 1 UNL1111111111 0.0603 25 H -1.2330 -3.3530 -0.0134 H 1 UNL1111111111 0.1622 26 H 1.2005 -3.3555 -0.0188 H 1 UNL1111111111 0.1564 27 H -3.3131 -0.3295 -0.0045 H 1 UNL1111111111 0.3550 28 H 3.3086 -0.3502 -0.0176 H 1 UNL1111111111 0.3606 29 H -3.2895 -3.0818 0.8945 H 1 UNL1111111111 0.1396 30 H -3.2856 -3.0604 -0.9056 H 1 UNL1111111111 0.1569 31 H 3.2367 -3.0713 -0.9348 H 1 UNL1111111111 0.1373 32 H 3.1987 -3.1013 0.8668 H 1 UNL1111111111 0.1383 33 H -2.4551 3.8343 0.0383 H 1 UNL1111111111 0.1883 34 H 2.4874 3.8379 -0.0324 H 1 UNL1111111111 0.1940 35 H -5.3365 -1.6080 -0.9338 H 1 UNL1111111111 0.1545 36 H -5.3499 -1.5416 0.8595 H 1 UNL1111111111 0.1250 37 H 5.3098 -1.6644 0.9162 H 1 UNL1111111111 0.1593 38 H 5.3554 -1.6686 -0.8683 H 1 UNL1111111111 0.1569 39 H -1.0767 5.9737 0.0236 H 1 UNL1111111111 0.1719 40 H -6.7441 -3.3765 -0.2255 H 1 UNL1111111111 0.2553 41 H -5.6339 -3.9926 0.8140 H 1 UNL1111111111 0.2480 42 H 5.7079 -4.0405 -0.8111 H 1 UNL1111111111 0.2508 43 H 5.5694 -4.1009 0.8232 H 1 UNL1111111111 0.2511 @BOND 1 1 12 2 2 2 13 2 3 3 10 1 4 3 18 1 5 3 27 1 6 4 11 1 7 4 19 1 8 4 28 1 9 5 21 ar 10 5 24 ar 11 6 22 1 12 6 40 1 13 6 41 1 14 7 23 1 15 7 42 1 16 7 43 1 17 8 9 ar 18 8 10 ar 19 8 12 1 20 9 11 ar 21 9 13 1 22 10 16 ar 23 11 17 ar 24 12 14 1 25 13 15 1 26 14 15 ar 27 14 20 ar 28 15 21 ar 29 16 17 ar 30 16 25 1 31 17 26 1 32 18 22 1 33 18 29 1 34 18 30 1 35 19 23 1 36 19 31 1 37 19 32 1 38 20 24 ar 39 20 33 1 40 21 34 1 41 22 35 1 42 22 36 1 43 23 37 1 44 23 38 1 45 24 39 1