@MOLECULE n-(4-{[(2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-quinazolinyl)methyl](2-propyn-1-yl)amino}benzoyl)glutamic acid 35 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.7931 -0.8719 -0.3342 C.ar 1 UNL1 -0.3682 2 N -6.4381 -2.6803 -0.7521 N.ar 1 UNL1 -0.3913 3 C -5.9888 -1.3530 -1.0475 C.ar 1 UNL1 0.5432 4 C -4.1833 -1.8512 0.6554 C.ar 1 UNL1 0.3136 5 N -4.6422 -3.0380 0.8805 N.ar 1 UNL1 -0.3783 6 C -5.7985 -3.4393 0.1444 C.ar 1 UNL1 0.3410 7 C 3.9182 1.7785 0.8937 C.2 1 UNL1 0.6960 8 N 4.1038 0.4072 1.1138 N.am 1 UNL1 -0.5604 9 C 6.2515 1.1818 -1.6684 C.1 1 UNL1 0.6735 10 N -1.7095 3.1463 -0.0051 N.pl3 1 UNL1 -0.2002 11 C -4.2149 0.3215 -0.4854 C.ar 1 UNL1 0.2554 12 C -2.8394 5.4233 -0.1275 C.1 1 UNL1 -0.6634 13 C 4.3537 -0.7384 0.8729 C.1 1 UNL1 0.6549 14 C -3.5726 6.4919 -0.1866 C.1 1 UNL1 0.4671 15 C 2.5090 2.1198 0.6716 C.ar 1 UNL1 -0.1199 16 O -6.6057 -0.7061 -1.8531 O.2 1 UNL1 -0.3051 17 C 4.8172 -5.5331 -0.2303 C.1 2 UNL2 0.6899 18 C -0.3525 2.8007 0.2032 C.ar 1 UNL1 0.2007 19 C -3.0681 -1.1703 1.2093 C.ar 1 UNL1 -0.0595 20 C -2.6381 2.1907 -0.1398 C.3 1 UNL1 0.2276 21 O 4.8518 2.5296 0.9166 O.2 1 UNL1 -0.3540 22 O 7.2573 1.6876 -1.9674 O.2 1 UNL1 -0.2855 23 C -3.0706 0.9675 0.1045 C.ar 1 UNL1 -0.1452 24 N -6.2548 -4.6873 0.3973 N.pl3 1 UNL1 -0.0435 25 O 5.9859 -5.5524 -0.2749 O.2 2 UNL2 -0.3555 26 C 1.4412 1.2381 0.5375 C.ar 1 UNL1 0.0830 27 C 1.9658 3.3930 0.5400 C.ar 1 UNL1 0.0978 28 C 0.7107 3.6924 0.3347 C.ar 1 UNL1 -0.0775 29 C 0.1847 1.5213 0.3295 C.ar 1 UNL1 -0.0706 30 C 4.5473 -2.0114 0.7079 C.1 1 UNL1 -0.7795 31 C 4.7023 -3.2572 0.5275 C.3 1 UNL1 0.3794 32 C -2.0110 4.4612 -0.0398 C.3 1 UNL1 0.2936 33 O 5.2392 0.6696 -1.3746 O.2 1 UNL1 -0.3879 34 C -2.5945 -0.0327 1.0013 C.ar 1 UNL1 -0.0150 35 O 3.6512 -5.6345 -0.2360 O.2 2 UNL2 -0.3561 @BOND 1 22 9 2 2 16 3 2 3 9 33 2 4 3 2 ar 5 3 1 ar 6 2 6 ar 7 11 1 ar 8 11 23 ar 9 1 4 ar 10 25 17 2 11 35 17 2 12 14 12 3 13 20 10 1 14 20 23 1 15 12 32 1 16 32 10 1 17 10 18 1 18 23 34 ar 19 6 24 1 20 6 5 ar 21 18 29 ar 22 18 28 ar 23 29 26 ar 24 28 27 ar 25 31 30 1 26 26 15 ar 27 27 15 ar 28 4 5 ar 29 4 19 ar 30 15 7 1 31 30 13 3 32 13 8 1 33 7 21 2 34 7 8 am 35 34 19 ar