@MOLECULE (6e)-6-({6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl}methylene)-6,7-dihydro-8h-[1,3]dioxolo[4,5-e]isoindol-8-one 48 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8954 -1.0706 -0.1833 O.3 1 UNL1111111111 -0.2921 2 O 4.9915 -1.7087 -0.9837 O.3 1 UNL1111111111 -0.3451 3 O 4.4885 -2.4006 1.2142 O.3 1 UNL1111111111 -0.3415 4 O -3.9970 -2.5687 -1.7705 O.3 1 UNL1111111111 -0.3343 5 O -3.9374 1.2017 2.1514 O.2 1 UNL1111111111 -0.4462 6 N -1.6424 1.1109 2.1313 N.am 1 UNL1111111111 -0.5975 7 N 0.6199 3.8788 -1.2428 N.3 1 UNL1111111111 -0.3921 8 C 2.0678 0.4782 -0.4603 C.ar 1 UNL1111111111 0.0017 9 C 1.7785 0.0742 0.8476 C.ar 1 UNL1111111111 -0.0148 10 C 1.2330 1.5077 -1.1532 C.3 1 UNL1111111111 -0.2855 11 C -1.2922 -0.4441 0.4439 C.ar 1 UNL1111111111 -0.0175 12 C -0.6121 0.4541 1.4024 C.2 1 UNL1111111111 0.2104 13 C -2.7075 -0.2685 0.6226 C.ar 1 UNL1111111111 -0.2191 14 C 0.6940 0.6857 1.6119 C.2 1 UNL1111111111 -0.2572 15 C 1.5480 2.9159 -0.6012 C.3 1 UNL1111111111 -0.1063 16 C -3.5362 -1.0179 -0.1519 C.ar 1 UNL1111111111 0.2041 17 C 3.1540 -0.0781 -1.1698 C.ar 1 UNL1111111111 -0.2120 18 C 2.5492 -0.9070 1.5110 C.ar 1 UNL1111111111 -0.1860 19 C 3.8956 -1.0285 -0.5146 C.ar 1 UNL1111111111 0.1331 20 C -2.9337 0.7335 1.6873 C.2 1 UNL1111111111 0.6109 21 C 3.5958 -1.4405 0.8043 C.ar 1 UNL1111111111 0.1140 22 C -0.7709 -1.3286 -0.4698 C.ar 1 UNL1111111111 -0.1274 23 C -2.9816 -1.9287 -1.1079 C.ar 1 UNL1111111111 0.1195 24 C -1.6363 -2.1024 -1.2850 C.ar 1 UNL1111111111 -0.1678 25 C -5.2200 -2.0494 -1.2033 C.3 1 UNL1111111111 0.1465 26 C 5.3866 -2.5842 0.0968 C.3 1 UNL1111111111 0.1577 27 C 1.2057 5.2368 -1.2666 C.3 1 UNL1111111111 -0.2825 28 C -0.6893 3.8999 -0.5550 C.3 1 UNL1111111111 -0.2814 29 H 1.3941 1.5064 -2.2508 H 1 UNL1111111111 0.1618 30 H 0.1517 1.2842 -1.0346 H 1 UNL1111111111 0.1660 31 H 2.5964 3.1782 -0.8584 H 1 UNL1111111111 0.1365 32 H 1.4816 2.9203 0.5067 H 1 UNL1111111111 0.1213 33 H 1.0280 1.3683 2.3965 H 1 UNL1111111111 0.1723 34 H 3.3882 0.2381 -2.1816 H 1 UNL1111111111 0.1789 35 H 2.3135 -1.2156 2.5250 H 1 UNL1111111111 0.1801 36 H -1.4692 1.7681 2.8627 H 1 UNL1111111111 0.3298 37 H 0.3087 -1.4526 -0.5787 H 1 UNL1111111111 0.1842 38 H -1.2339 -2.8022 -2.0127 H 1 UNL1111111111 0.1796 39 H -5.7686 -1.5296 -2.0012 H 1 UNL1111111111 0.1479 40 H -5.7454 -2.8814 -0.7130 H 1 UNL1111111111 0.1482 41 H 6.3923 -2.2830 0.4210 H 1 UNL1111111111 0.1414 42 H 5.2790 -3.6195 -0.2546 H 1 UNL1111111111 0.1407 43 H 2.1256 5.2191 -1.8741 H 1 UNL1111111111 0.1442 44 H 1.4451 5.6496 -0.2760 H 1 UNL1111111111 0.1173 45 H 0.5026 5.9225 -1.7682 H 1 UNL1111111111 0.1455 46 H -1.3850 4.5285 -1.1352 H 1 UNL1111111111 0.1460 47 H -0.6572 4.2759 0.4778 H 1 UNL1111111111 0.1175 48 H -1.1126 2.8816 -0.5396 H 1 UNL1111111111 0.1491 @BOND 1 1 16 1 2 1 25 1 3 2 19 1 4 2 26 1 5 3 21 1 6 3 26 1 7 4 23 1 8 4 25 1 9 5 20 2 10 6 12 1 11 6 20 am 12 6 36 1 13 7 15 1 14 7 27 1 15 7 28 1 16 8 9 ar 17 8 10 1 18 8 17 ar 19 9 14 1 20 9 18 ar 21 10 15 1 22 10 29 1 23 10 30 1 24 11 12 1 25 11 13 ar 26 11 22 ar 27 12 14 2 28 13 16 ar 29 13 20 1 30 14 33 1 31 15 31 1 32 15 32 1 33 16 23 ar 34 17 19 ar 35 17 34 1 36 18 21 ar 37 18 35 1 38 19 21 ar 39 22 24 ar 40 22 37 1 41 23 24 ar 42 24 38 1 43 25 39 1 44 25 40 1 45 26 41 1 46 26 42 1 47 27 43 1 48 27 44 1 49 27 45 1 50 28 46 1 51 28 47 1 52 28 48 1