@MOLECULE amonafide 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.4228 -2.4925 0.4775 O.2 1 UNL1 -0.4704 2 O 1.6175 1.8741 0.5526 O.2 1 UNL1 -0.4878 3 N 1.0492 -0.3158 0.4173 N.ar 1 UNL1 -0.5396 4 N 4.7280 -0.6248 -0.3935 N.3 1 UNL1 -0.3811 5 N -4.6056 -2.5169 -0.2975 N.pl3 1 UNL1 -0.6353 6 C -1.6635 0.4447 0.0292 C.ar 1 UNL1 -0.0382 7 C -1.3275 -0.9316 0.1316 C.ar 1 UNL1 -0.0894 8 C 2.4623 -0.6894 0.6158 C.3 1 UNL1 -0.0678 9 C -0.6670 1.4455 0.1404 C.ar 1 UNL1 -0.1375 10 C 0.0850 -1.3373 0.3488 C.ar 1 UNL1 0.5891 11 C -3.0084 0.8186 -0.1885 C.ar 1 UNL1 0.0561 12 C 0.7375 1.0596 0.3825 C.ar 1 UNL1 0.5939 13 C 3.3089 -0.2349 -0.5960 C.3 1 UNL1 -0.1497 14 C -2.2862 -1.9034 0.0273 C.ar 1 UNL1 -0.1643 15 C -0.9894 2.7783 0.0416 C.ar 1 UNL1 -0.0698 16 C -3.9948 -0.1840 -0.3117 C.ar 1 UNL1 -0.3109 17 C -3.6491 -1.5256 -0.2030 C.ar 1 UNL1 0.2606 18 C -3.3218 2.2064 -0.2738 C.ar 1 UNL1 -0.1304 19 C -2.3401 3.1574 -0.1532 C.ar 1 UNL1 -0.1553 20 C 5.2884 -0.0244 0.8388 C.3 1 UNL1 -0.2878 21 C 5.5233 -0.1987 -1.5681 C.3 1 UNL1 -0.2829 22 H 2.8232 -0.2120 1.5583 H 1 UNL1 0.1527 23 H 2.5553 -1.7952 0.7448 H 1 UNL1 0.1817 24 H 2.9437 -0.7546 -1.5102 H 1 UNL1 0.1471 25 H 3.1859 0.8575 -0.7672 H 1 UNL1 0.1420 26 H -2.0252 -2.9607 0.1235 H 1 UNL1 0.1866 27 H -0.2157 3.5487 0.1107 H 1 UNL1 0.1777 28 H -5.0226 0.1094 -0.4934 H 1 UNL1 0.1629 29 H -4.3599 2.4940 -0.4349 H 1 UNL1 0.1539 30 H -2.5815 4.2151 -0.2077 H 1 UNL1 0.1563 31 H 4.8703 -0.5552 1.7102 H 1 UNL1 0.1452 32 H 5.0819 1.0534 0.9461 H 1 UNL1 0.1283 33 H 6.3794 -0.1826 0.8662 H 1 UNL1 0.1423 34 H 5.5519 0.8901 -1.7263 H 1 UNL1 0.1202 35 H 5.1149 -0.6740 -2.4750 H 1 UNL1 0.1443 36 H 6.5563 -0.5631 -1.4469 H 1 UNL1 0.1449 37 H -4.3566 -3.4775 -0.2369 H 1 UNL1 0.3080 38 H -5.5480 -2.2962 -0.5141 H 1 UNL1 0.3045 @BOND 1 35 21 1 2 34 21 1 3 21 36 1 4 21 4 1 5 24 13 1 6 25 13 1 7 13 4 1 8 13 8 1 9 38 5 1 10 28 16 1 11 29 18 1 12 4 20 1 13 16 17 ar 14 16 11 ar 15 5 37 1 16 5 17 1 17 18 11 ar 18 18 19 ar 19 30 19 1 20 17 14 ar 21 11 6 ar 22 19 15 ar 23 14 26 1 24 14 7 ar 25 6 7 ar 26 6 9 ar 27 15 27 1 28 15 9 ar 29 7 10 ar 30 9 12 ar 31 10 3 ar 32 10 1 2 33 12 3 ar 34 12 2 2 35 3 8 1 36 8 23 1 37 8 22 1 38 20 33 1 39 20 32 1 40 20 31 1