@MOLECULE n~2~-(4-{[(2-amino-4-oxo-1,4-dihydro-6-quinazolinyl)methyl]amino}benzoyl)-l-ornithine 55 57 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 OXT -7.8419 -2.5807 -0.3503 O.3 1 UNL1 -0.5569 2 O -6.0888 -2.6547 -1.7302 O.2 1 UNL1 -0.5066 3 O -4.5578 -0.5573 1.9895 O.2 1 UNL1 -0.5295 4 O 6.5181 -2.0799 1.4335 O.2 1 UNL1 -0.4185 5 N -4.8583 -0.6396 -0.2466 N.am 1 UNL1 -0.6145 6 N 1.4708 0.2031 -0.0203 N.pl3 1 UNL1 -0.5355 7 N -7.5501 4.0031 0.1728 N.3 1 UNL1 -0.6489 8 N 7.6313 0.8327 -1.1480 N.ar 1 UNL1 -0.5433 9 N 8.1228 -1.1568 0.1173 N.ar 1 UNL1 -0.6135 10 N 9.8075 -0.1110 -1.1244 N.pl3 1 UNL1 -0.6099 11 C -7.0756 0.3451 -0.7861 C.3 1 UNL1 -0.2990 12 CA -6.2981 -0.8088 -0.1193 C.3 1 UNL1 0.0371 13 C -6.9243 1.6317 0.0282 C.3 1 UNL1 -0.2720 14 C -7.5978 2.8079 -0.6998 C.3 1 UNL1 -0.1032 15 C 3.7351 0.9453 0.3849 C.ar 1 UNL1 -0.1282 16 C 2.3251 0.9684 0.9039 C.3 1 UNL1 -0.0668 17 C -6.6743 -2.1005 -0.8396 C.2 1 UNL1 0.6012 18 C -4.0547 -0.5473 0.8838 C.2 1 UNL1 0.6123 19 C -2.6076 -0.3899 0.6344 C.ar 1 UNL1 -0.2533 20 C 5.9025 -0.1079 0.2709 C.ar 1 UNL1 -0.2734 21 C 0.1376 -0.0155 0.2634 C.ar 1 UNL1 0.2996 22 C 6.3307 0.8844 -0.6283 C.ar 1 UNL1 0.2597 23 C 4.6034 -0.0681 0.7761 C.ar 1 UNL1 -0.0199 24 C 4.1657 1.9292 -0.5154 C.ar 1 UNL1 -0.0360 25 C 5.4556 1.9130 -1.0226 C.ar 1 UNL1 -0.2803 26 C -1.9048 0.5011 1.4492 C.ar 1 UNL1 0.0057 27 C -1.9299 -1.1229 -0.3446 C.ar 1 UNL1 -0.0205 28 C -0.5443 0.6986 1.2715 C.ar 1 UNL1 -0.3293 29 C -0.5712 -0.9463 -0.5359 C.ar 1 UNL1 -0.3196 30 C 6.8305 -1.1940 0.6787 C.ar 1 UNL1 0.6014 31 C 8.4861 -0.1932 -0.6933 C.ar 1 UNL1 0.5817 32 H -8.1478 0.0711 -0.8625 H 1 UNL1 0.1587 33 H -6.7208 0.5002 -1.8229 H 1 UNL1 0.1482 34 HA -6.5825 -0.8841 0.9748 H 1 UNL1 0.2137 35 H -5.8552 1.8525 0.2117 H 1 UNL1 0.1507 36 H -7.3754 1.5141 1.0358 H 1 UNL1 0.1667 37 H -4.4759 -0.6326 -1.1796 H 1 UNL1 0.3231 38 H -7.1185 2.9750 -1.6875 H 1 UNL1 0.1046 39 H -8.6695 2.5752 -0.8910 H 1 UNL1 0.1408 40 H 1.9392 2.0150 0.9690 H 1 UNL1 0.1523 41 H 2.2707 0.5474 1.9380 H 1 UNL1 0.1506 42 H 4.2855 -0.8484 1.4789 H 1 UNL1 0.1852 43 H 1.9548 -0.4425 -0.6282 H 1 UNL1 0.3120 44 H 3.4729 2.7158 -0.8248 H 1 UNL1 0.1617 45 H 5.7826 2.6806 -1.7182 H 1 UNL1 0.1660 46 H -2.4386 1.0406 2.2378 H 1 UNL1 0.1642 47 H -2.4686 -1.8530 -0.9538 H 1 UNL1 0.1566 48 H -0.0173 1.3992 1.9086 H 1 UNL1 0.1611 49 H -0.0480 -1.5181 -1.2959 H 1 UNL1 0.1630 50 H -6.6086 4.2395 0.4364 H 1 UNL1 0.2468 51 H -7.9786 4.8020 -0.2620 H 1 UNL1 0.2456 52 H 7.9817 1.6112 -1.6879 H 1 UNL1 0.3258 53 HXT -8.1376 -3.4258 -0.7718 H 1 UNL1 0.3566 54 H 10.0047 0.2528 -2.0358 H 1 UNL1 0.2979 55 H 10.4095 -0.8738 -0.8339 H 1 UNL1 0.3278 @BOND 1 54 10 1 2 33 11 1 3 2 17 2 4 45 25 1 5 52 8 1 6 38 14 1 7 49 29 1 8 37 5 1 9 8 31 ar 10 8 22 ar 11 10 55 1 12 10 31 1 13 25 22 ar 14 25 24 ar 15 47 27 1 16 39 14 1 17 32 11 1 18 17 1 1 19 17 12 1 20 44 24 1 21 11 12 1 22 11 13 1 23 53 1 1 24 14 13 1 25 14 7 1 26 31 9 ar 27 22 20 ar 28 43 6 1 29 29 27 ar 30 29 21 ar 31 24 15 ar 32 27 19 ar 33 51 7 1 34 5 12 1 35 5 18 am 36 12 34 1 37 6 21 1 38 6 16 1 39 13 35 1 40 13 36 1 41 9 30 ar 42 7 50 1 43 21 28 ar 44 20 30 ar 45 20 23 ar 46 15 23 ar 47 15 16 1 48 19 18 1 49 19 26 ar 50 30 4 2 51 23 42 1 52 18 3 2 53 16 40 1 54 16 41 1 55 28 26 ar 56 28 48 1 57 26 46 1