@MOLECULE 1-(13-methyl-13,14-dihydro[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-14-yl)acetone 48 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.4601 -1.1978 0.4342 O.3 1 UNL111111111 -0.3301 2 O -5.8785 0.6841 0.3112 O.3 1 UNL111111111 -0.3383 3 O 5.0128 -1.1886 0.9546 O.3 1 UNL111111111 -0.3328 4 O 5.9576 0.7318 -0.0342 O.3 1 UNL111111111 -0.3397 5 O -0.7712 -3.9523 -0.6710 O.2 1 UNL111111111 -0.4781 6 N -0.1302 -0.7585 0.7794 N.pl3 1 UNL111111111 -0.4120 7 C -1.4326 -1.1329 0.1734 C.3 1 UNL111111111 0.0872 8 C -2.3634 0.0417 0.0783 C.ar 1 UNL111111111 -0.1216 9 C 0.4200 0.4436 0.2239 C.ar 1 UNL111111111 0.1730 10 C -1.8427 1.3416 -0.1460 C.ar 1 UNL111111111 -0.0015 11 C -0.3917 1.4559 -0.2833 C.ar 1 UNL111111111 -0.0999 12 C -1.1800 -1.6896 -1.2459 C.3 1 UNL111111111 -0.4071 13 C 1.8422 0.5376 0.1509 C.ar 1 UNL111111111 -0.0497 14 C -3.7236 -0.0621 0.2142 C.ar 1 UNL111111111 0.1146 15 C -0.2013 -0.6980 2.2573 C.3 1 UNL111111111 -0.2613 16 C 2.4125 1.6816 -0.4588 C.ar 1 UNL111111111 0.0272 17 C 0.2030 2.5721 -0.9134 C.ar 1 UNL111111111 -0.1113 18 C -2.6867 2.4497 -0.1961 C.ar 1 UNL111111111 -0.1587 19 C -4.5714 1.0674 0.1440 C.ar 1 UNL111111111 0.1299 20 C 1.5679 2.6868 -0.9927 C.ar 1 UNL111111111 -0.1851 21 C -4.0815 2.3351 -0.0543 C.ar 1 UNL111111111 -0.1837 22 C 2.6766 -0.5120 0.6629 C.ar 1 UNL111111111 -0.1881 23 C -0.3278 -2.9368 -1.1445 C.2 1 UNL111111111 0.5367 24 C 3.8357 1.8342 -0.5602 C.ar 1 UNL111111111 -0.2340 25 C 4.0153 -0.3384 0.5482 C.ar 1 UNL111111111 0.1233 26 C 4.5918 0.8281 -0.0560 C.ar 1 UNL111111111 0.1609 27 C -5.8345 -0.7499 0.4918 C.3 1 UNL111111111 0.1585 28 C 1.0733 -2.8362 -1.6603 C.3 1 UNL111111111 -0.5487 29 C 6.2490 -0.5320 0.6034 C.3 1 UNL111111111 0.1565 30 H -1.8868 -1.9509 0.8026 H 1 UNL111111111 0.1781 31 H -0.7103 -0.9195 -1.8852 H 1 UNL111111111 0.1712 32 H -2.1513 -1.9388 -1.7195 H 1 UNL111111111 0.1768 33 H -0.3990 -1.7139 2.6410 H 1 UNL111111111 0.1580 34 H -0.9814 -0.0169 2.6319 H 1 UNL111111111 0.1343 35 H 0.7685 -0.3666 2.6655 H 1 UNL111111111 0.1556 36 H -0.4374 3.3434 -1.3417 H 1 UNL111111111 0.1553 37 H -2.2658 3.4452 -0.3394 H 1 UNL111111111 0.1644 38 H 2.0231 3.5528 -1.4711 H 1 UNL111111111 0.1602 39 H -4.7288 3.2054 -0.0980 H 1 UNL111111111 0.1766 40 H 2.2306 -1.4019 1.1077 H 1 UNL111111111 0.2010 41 H 4.2606 2.7184 -1.0225 H 1 UNL111111111 0.1793 42 H -6.2170 -0.9746 1.4969 H 1 UNL111111111 0.1427 43 H -6.3714 -1.2112 -0.3487 H 1 UNL111111111 0.1433 44 H 1.6163 -2.0297 -1.1385 H 1 UNL111111111 0.1890 45 H 1.6330 -3.7676 -1.4971 H 1 UNL111111111 0.1754 46 H 1.1003 -2.6103 -2.7322 H 1 UNL111111111 0.1688 47 H 6.7691 -1.1639 -0.1297 H 1 UNL111111111 0.1420 48 H 6.7932 -0.3190 1.5339 H 1 UNL111111111 0.1418 @BOND 1 1 14 1 2 1 27 1 3 2 19 1 4 2 27 1 5 3 25 1 6 3 29 1 7 4 26 1 8 4 29 1 9 5 23 2 10 6 7 1 11 6 9 1 12 6 15 1 13 7 8 1 14 7 12 1 15 7 30 1 16 8 10 ar 17 8 14 ar 18 9 11 ar 19 9 13 ar 20 10 11 1 21 10 18 ar 22 11 17 ar 23 12 23 1 24 12 31 1 25 12 32 1 26 13 16 ar 27 13 22 ar 28 14 19 ar 29 15 33 1 30 15 34 1 31 15 35 1 32 16 20 ar 33 16 24 ar 34 17 20 ar 35 17 36 1 36 18 21 ar 37 18 37 1 38 19 21 ar 39 20 38 1 40 21 39 1 41 22 25 ar 42 22 40 1 43 23 28 1 44 24 26 ar 45 24 41 1 46 25 26 ar 47 27 42 1 48 27 43 1 49 28 44 1 50 28 45 1 51 28 46 1 52 29 47 1 53 29 48 1