@MOLECULE 6-(1,3-benzodioxol-5-yl)-n-(2-thienylmethyl)-4-quinazolinamine 41 45 0 0 0 SMALL GASTEIGER @ATOM 1 S 4.3319 -2.3559 1.0760 S.2 1 UNL11111 0.2601 2 O -4.3524 -2.3684 1.2988 O.3 1 UNL11111 -0.3404 3 O -5.8740 -2.0360 -0.4725 O.3 1 UNL11111 -0.3423 4 N 2.5382 0.3284 -0.3542 N.pl3 1 UNL11111 -0.4910 5 N 1.5128 4.2635 0.3858 N.ar 1 UNL11111 -0.5056 6 N 3.1369 2.5412 0.0089 N.ar 1 UNL11111 -0.5833 7 C -1.6151 1.5244 -0.0112 C.ar 1 UNL11111 -0.0452 8 C 0.7590 1.9719 0.0045 C.ar 1 UNL11111 -0.2474 9 C -2.7463 0.6014 -0.1670 C.ar 1 UNL11111 -0.0032 10 C -0.3188 1.0714 -0.1213 C.ar 1 UNL11111 -0.0937 11 C 0.4972 3.3428 0.2580 C.ar 1 UNL11111 0.2395 12 C 2.1590 1.6127 -0.1145 C.ar 1 UNL11111 0.4316 13 C -2.8941 -0.4598 0.7523 C.ar 1 UNL11111 -0.1909 14 C -3.9776 -1.2784 0.5536 C.ar 1 UNL11111 0.1277 15 C -1.8776 2.8956 0.2450 C.ar 1 UNL11111 -0.0915 16 C -4.8906 -1.0789 -0.5091 C.ar 1 UNL11111 0.1252 17 C -3.6457 0.7959 -1.2137 C.ar 1 UNL11111 -0.1546 18 C -0.8488 3.7900 0.3816 C.ar 1 UNL11111 -0.1809 19 C -4.7505 -0.0521 -1.4103 C.ar 1 UNL11111 -0.1870 20 C 3.9633 -0.0253 -0.4948 C.3 1 UNL11111 -0.0452 21 C -5.5575 -2.8626 0.6701 C.3 1 UNL11111 0.1574 22 C 4.0976 -1.4989 -0.4241 C.ar 1 UNL11111 -0.1985 23 C 2.7634 3.8308 0.2585 C.ar 1 UNL11111 0.2892 24 C 4.0357 -2.3780 -1.4700 C.ar 1 UNL11111 -0.1620 25 C 4.1800 -3.7463 -1.0664 C.ar 1 UNL11111 -0.1734 26 C 4.3492 -3.8951 0.2804 C.ar 1 UNL11111 -0.2786 27 H -0.1307 0.0156 -0.3135 H 1 UNL11111 0.1534 28 H -2.1944 -0.6043 1.5698 H 1 UNL11111 0.1824 29 H -2.9155 3.2217 0.3355 H 1 UNL11111 0.1642 30 H -3.4912 1.6239 -1.9065 H 1 UNL11111 0.1674 31 H -1.0214 4.8483 0.5853 H 1 UNL11111 0.1821 32 H 1.8594 -0.4055 -0.4784 H 1 UNL11111 0.3245 33 H -5.4469 0.1017 -2.2277 H 1 UNL11111 0.1746 34 H 4.5615 0.5118 0.2896 H 1 UNL11111 0.1852 35 H 4.3470 0.3768 -1.4686 H 1 UNL11111 0.1671 36 H -6.3788 -2.7633 1.3935 H 1 UNL11111 0.1423 37 H -5.3517 -3.8776 0.3031 H 1 UNL11111 0.1418 38 H 3.5848 4.5600 0.3563 H 1 UNL11111 0.1927 39 H 3.8946 -2.0995 -2.5041 H 1 UNL11111 0.1665 40 H 4.1524 -4.5568 -1.7792 H 1 UNL11111 0.1636 41 H 4.4783 -4.8166 0.8198 H 1 UNL11111 0.1763 @BOND 1 1 22 ar 2 1 26 ar 3 2 14 1 4 2 21 1 5 3 16 1 6 3 21 1 7 4 12 1 8 4 20 1 9 4 32 1 10 5 11 ar 11 5 23 ar 12 6 12 ar 13 6 23 ar 14 7 9 1 15 7 10 ar 16 7 15 ar 17 8 10 ar 18 8 11 ar 19 8 12 ar 20 9 13 ar 21 9 17 ar 22 10 27 1 23 11 18 ar 24 13 14 ar 25 13 28 1 26 14 16 ar 27 15 18 ar 28 15 29 1 29 16 19 ar 30 17 19 ar 31 17 30 1 32 18 31 1 33 19 33 1 34 20 22 1 35 20 34 1 36 20 35 1 37 21 36 1 38 21 37 1 39 22 24 ar 40 23 38 1 41 24 25 ar 42 24 39 1 43 25 26 ar 44 25 40 1 45 26 41 1