@MOLECULE 2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-n-[2-(dimethylamino)ethyl]nicotinamide 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.2068 3.0847 1.0567 C.3 1 UNL1111111111 -0.2799 2 N 6.0333 1.7707 0.4005 N.3 1 UNL1111111111 -0.3914 3 C 6.9079 0.7611 1.0360 C.3 1 UNL1111111111 -0.2821 4 C 4.6162 1.3420 0.4355 C.3 1 UNL1111111111 -0.1524 5 C 4.3800 0.4502 -0.8135 C.3 1 UNL1111111111 -0.0633 6 N 2.9684 0.0686 -0.8846 N.am 1 UNL1111111111 -0.5907 7 C 2.5470 -1.1128 -0.3134 C.2 1 UNL1111111111 0.6297 8 O 3.3769 -1.8908 0.1431 O.2 1 UNL1111111111 -0.5993 9 C 1.1034 -1.4012 -0.3079 C.ar 1 UNL1111111111 -0.3733 10 C 0.1349 -0.3991 -0.3737 C.ar 1 UNL1111111111 0.0243 11 C -1.2192 -0.7203 -0.3797 C.ar 1 UNL1111111111 -0.1910 12 C -2.2480 0.2768 -0.4428 C.ar 1 UNL1111111111 -0.1735 13 S -2.1310 1.7174 -1.4537 S.2 1 UNL1111111111 0.2374 14 C -3.6815 2.3311 -0.9450 C.ar 1 UNL1111111111 -0.3728 15 C -4.2553 1.4606 -0.0703 C.ar 1 UNL1111111111 0.1329 16 O -5.4557 1.6747 0.5219 O.3 1 UNL1111111111 -0.2827 17 C -5.9895 0.4825 1.1123 C.3 1 UNL1111111111 -0.0998 18 C -4.9192 -0.2629 1.9031 C.3 1 UNL1111111111 -0.0961 19 O -3.8655 -0.6991 1.0357 O.3 1 UNL1111111111 -0.2815 20 C -3.4467 0.2961 0.2134 C.ar 1 UNL1111111111 0.0756 21 C -1.5759 -2.0927 -0.2898 C.ar 1 UNL1111111111 0.1778 22 N -0.6853 -3.0724 -0.1947 N.ar 1 UNL1111111111 -0.4921 23 C 0.6570 -2.7496 -0.1872 C.ar 1 UNL1111111111 0.4589 24 N 1.5058 -3.8060 -0.0780 N.pl3 1 UNL1111111111 -0.5617 25 H 7.2662 3.3832 0.9853 H 1 UNL1111111111 0.1463 26 H 5.6225 3.8409 0.5074 H 1 UNL1111111111 0.1424 27 H 5.9102 3.1104 2.1156 H 1 UNL1111111111 0.1200 28 H 6.7420 0.6295 2.1157 H 1 UNL1111111111 0.1222 29 H 6.7574 -0.2158 0.5455 H 1 UNL1111111111 0.1509 30 H 7.9592 1.0501 0.8734 H 1 UNL1111111111 0.1454 31 H 4.3449 0.7819 1.3553 H 1 UNL1111111111 0.1369 32 H 3.9463 2.2251 0.3914 H 1 UNL1111111111 0.1341 33 H 4.6688 0.9966 -1.7375 H 1 UNL1111111111 0.1486 34 H 5.0211 -0.4616 -0.7638 H 1 UNL1111111111 0.1713 35 H 2.3290 0.7382 -1.2735 H 1 UNL1111111111 0.3111 36 H 0.4399 0.6501 -0.3974 H 1 UNL1111111111 0.1573 37 H -2.6338 -2.3985 -0.2872 H 1 UNL1111111111 0.1816 38 H -4.0834 3.2604 -1.3011 H 1 UNL1111111111 0.1932 39 H -6.8013 0.8766 1.7499 H 1 UNL1111111111 0.1582 40 H -6.4138 -0.1362 0.3000 H 1 UNL1111111111 0.1497 41 H -4.4728 0.3652 2.6960 H 1 UNL1111111111 0.1505 42 H -5.2822 -1.2140 2.3331 H 1 UNL1111111111 0.1612 43 H 2.4958 -3.6324 0.0472 H 1 UNL1111111111 0.3478 44 H 1.1500 -4.7343 0.0371 H 1 UNL1111111111 0.3181 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 4 1 7 3 28 1 8 3 29 1 9 3 30 1 10 4 5 1 11 4 31 1 12 4 32 1 13 5 6 1 14 5 33 1 15 5 34 1 16 6 7 am 17 6 35 1 18 7 8 2 19 7 9 1 20 9 10 ar 21 9 23 ar 22 10 11 ar 23 10 36 1 24 11 12 1 25 11 21 ar 26 12 13 ar 27 12 20 ar 28 13 14 ar 29 14 15 ar 30 14 38 1 31 15 16 1 32 15 20 ar 33 16 17 1 34 17 18 1 35 17 39 1 36 17 40 1 37 18 19 1 38 18 41 1 39 18 42 1 40 19 20 1 41 21 22 ar 42 21 37 1 43 22 23 ar 44 23 24 1 45 24 43 1 46 24 44 1