@MOLECULE s-{3-[(4-anilino-6-quinazolinyl)amino]-3-oxopropyl}-l-cysteine 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 C1 5.6743 -2.9463 0.6200 C.ar 1 <1> -0.2435 2 C2 6.7635 -3.8091 0.6461 C.ar 1 <1> -0.1043 3 C3 7.9683 -3.4425 0.0462 C.ar 1 <1> -0.1891 4 C4 8.0785 -2.2068 -0.5866 C.ar 1 <1> -0.1052 5 C5 6.9980 -1.3295 -0.6275 C.ar 1 <1> -0.1812 6 C6 5.7950 -1.6976 -0.0168 C.ar 1 <1> 0.2122 7 N1 4.6259 -0.8923 -0.0487 N.pl3 1 <1> -0.4803 8 C7 4.5774 0.4852 -0.0757 C.ar 1 <1> 0.4228 9 C8 3.2851 1.1515 -0.0074 C.ar 1 <1> -0.1836 10 C9 2.0409 0.4957 0.0801 C.ar 1 <1> -0.2374 11 N2 5.7146 1.1916 -0.1697 N.ar 1 <1> -0.5454 12 C10 5.6313 2.5604 -0.1903 C.ar 1 <1> 0.2715 13 N3 4.5083 3.2614 -0.1245 N.ar 1 <1> -0.4677 14 C11 3.3230 2.5662 -0.0356 C.ar 1 <1> 0.1918 15 C12 2.1059 3.3048 0.0297 C.ar 1 <1> -0.1282 16 C13 0.9054 2.6548 0.1191 C.ar 1 <1> -0.1549 17 C14 0.8660 1.2314 0.1438 C.ar 1 <1> 0.2106 18 N4 -0.3439 0.5092 0.2540 N.am 1 <1> -0.5709 19 C15 -1.6245 1.0415 0.0960 C.2 1 <1> 0.5945 20 O1 -1.8243 2.2133 -0.1170 O.2 1 <1> -0.4979 21 C16 -2.7371 0.0160 0.2217 C.3 1 <1> -0.3573 22 C17 -4.0753 0.7424 0.2027 C.3 1 <1> -0.2908 23 S1 -5.4203 -0.4979 0.3876 S.3 1 <1> -0.0432 24 C18 -6.9045 0.5720 0.1996 C.3 1 <1> -0.3360 25 C19 -8.1871 -0.2592 0.2615 C.3 1 <1> 0.0079 26 C20 -8.1263 -1.4226 -0.7279 C.2 1 <1> 0.5796 27 O2 -8.2713 -2.5901 -0.4877 O.2 1 <1> -0.5008 28 N5 -8.4691 -0.7135 1.6276 N.3 1 <1> -0.6232 29 O3 -7.9450 -0.9676 -1.9893 O.3 1 <1> -0.5523 30 H1 4.7434 -3.2368 1.0981 H 1 <1> 0.1537 31 H2 6.6753 -4.7751 1.1410 H 1 <1> 0.1478 32 H3 8.8175 -4.1204 0.0742 H 1 <1> 0.1511 33 H4 9.0185 -1.9187 -1.0571 H 1 <1> 0.1517 34 H5 7.0986 -0.3636 -1.1274 H 1 <1> 0.1959 35 H6 3.7517 -1.3806 0.1287 H 1 <1> 0.3141 36 H7 2.0029 -0.5902 0.0891 H 1 <1> 0.1502 37 H8 6.5919 3.0961 -0.2647 H 1 <1> 0.1959 38 H9 2.1675 4.3966 0.0062 H 1 <1> 0.1871 39 H10 -0.0265 3.2282 0.1724 H 1 <1> 0.2051 40 H11 -0.2493 -0.4926 0.3958 H 1 <1> 0.3124 41 H12 -2.6136 -0.5735 1.1565 H 1 <1> 0.1776 42 H13 -2.6660 -0.7126 -0.6172 H 1 <1> 0.1814 43 H14 -4.1304 1.4903 1.0182 H 1 <1> 0.1704 44 H15 -4.1992 1.3112 -0.7408 H 1 <1> 0.1738 45 H16 -6.9198 1.3369 1.0029 H 1 <1> 0.1814 46 H17 -6.8517 1.1122 -0.7661 H 1 <1> 0.1752 47 H18 -9.0542 0.4022 -0.0497 H 1 <1> 0.1838 48 H19 -7.6901 -1.1914 2.0563 H 1 <1> 0.2683 49 H20 -9.2767 -1.3211 1.6659 H 1 <1> 0.2667 50 H21 -7.8823 -1.6876 -2.6671 H 1 <1> 0.3589 @BOND 1 1 2 ar 2 1 6 ar 3 1 30 1 4 2 3 ar 5 2 31 1 6 3 4 ar 7 3 32 1 8 4 5 ar 9 4 33 1 10 5 6 ar 11 5 34 1 12 6 7 1 13 7 8 1 14 7 35 1 15 8 9 ar 16 8 11 ar 17 9 10 ar 18 9 14 ar 19 10 17 ar 20 10 36 1 21 11 12 ar 22 12 13 ar 23 12 37 1 24 13 14 ar 25 14 15 ar 26 15 16 ar 27 15 38 1 28 16 17 ar 29 16 39 1 30 17 18 1 31 18 19 am 32 18 40 1 33 19 20 2 34 19 21 1 35 21 22 1 36 21 41 1 37 21 42 1 38 22 23 1 39 22 43 1 40 22 44 1 41 23 24 1 42 24 25 1 43 24 45 1 44 24 46 1 45 25 26 1 46 25 28 1 47 25 47 1 48 26 27 2 49 26 29 1 50 28 48 1 51 28 49 1 52 29 50 1