@MOLECULE n~2~-[(4-chlorophenyl)sulfonyl]-n-[2-(isopropylamino)-5-methyl-4-oxo-4h-3,1-benzoxazin-7-yl]-l-alpha-glutamine 61 63 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -3.6747 -0.1094 0.8443 C.3 1 UNL1 0.0230 2 C 0.6450 0.7852 1.2968 C.ar 1 UNL1 -0.3535 3 C 0.0943 2.6551 -0.1748 C.ar 1 UNL1 -0.3874 4 C -0.6981 -2.4778 0.1455 C.ar 1 UNL1 -0.0233 5 C -1.4354 -1.3763 -1.8809 C.ar 1 UNL1 -0.0537 6 C 0.6177 -2.0923 -0.1154 C.ar 1 UNL1 -0.1837 7 C -0.1270 -0.9838 -2.1559 C.ar 1 UNL1 -0.2050 8 C -4.6929 0.6704 1.7036 C.3 1 UNL1 -0.2663 9 C -5.8041 1.2542 0.8310 C.3 1 UNL1 -0.3494 10 C 1.8393 3.9307 -1.4040 C.3 1 UNL1 -0.4695 11 C 7.3592 -1.7155 1.5150 C.3 1 UNL1 -0.4786 12 C 6.1188 -1.6587 -0.6893 C.3 1 UNL1 -0.4903 13 H -2.3098 1.9863 0.2661 H 1 UNL1 0.3470 14 H -3.7949 -1.9241 1.8694 H 1 UNL1 0.3196 15 H 4.8028 -1.6031 1.9631 H 1 UNL1 0.3295 16 C 1.4283 2.8302 -0.4927 C.ar 1 UNL1 0.2408 17 C -0.3012 1.5925 0.6776 C.ar 1 UNL1 0.3314 18 C -1.7215 -2.1118 -0.7292 C.ar 1 UNL1 -0.4334 19 C 0.8710 -1.3502 -1.2606 C.ar 1 UNL1 0.0866 20 O 4.3553 2.7589 -1.1108 O.2 1 UNL1 -0.4218 21 O -4.1763 -2.1724 -1.5333 O.2 1 UNL1 -0.8965 22 O -3.4271 -3.8999 0.1619 O.2 1 UNL1 -0.8832 23 O -1.6548 -0.5390 2.0853 O.2 1 UNL1 -0.4949 24 O -4.1467 2.6492 -0.2992 O.2 1 UNL1 -0.5718 25 O -6.3116 3.0686 -0.5607 O.3 1 UNL1 -0.5520 26 C -2.2408 0.2111 1.3425 C.2 1 UNL1 0.5226 27 C -5.2888 2.3570 -0.0349 C.2 1 UNL1 0.6754 28 C 3.7676 2.0034 -0.3918 C.ar 1 UNL1 0.6552 29 C 4.1447 0.0641 0.9812 C.ar 1 UNL1 0.6264 30 H -6.0249 3.8086 -1.1548 H 1 UNL1 0.3624 31 C 2.3945 1.9411 0.0267 C.ar 1 UNL1 -0.4146 32 C 1.9963 0.9341 0.9420 C.ar 1 UNL1 0.3670 33 C 6.3657 -0.9399 0.6433 C.3 1 UNL1 0.1415 34 CL 2.4786 -0.8517 -1.5820 Cl 1 UNL1 -0.0964 35 O 4.6178 0.9728 0.0971 O.2 1 UNL1 -0.4634 36 N -1.6814 1.3459 0.7664 N.am 1 UNL1 -0.5695 37 N -3.8976 -1.5428 0.9300 N.3 1 UNL1 -0.8613 38 N 5.1029 -0.8098 1.4040 N.pl3 1 UNL1 -0.5137 39 S -3.3882 -2.5704 -0.3920 S.O2 1 UNL1 2.3564 40 N 2.9016 0.0172 1.4411 N.ar 1 UNL1 -0.6097 41 H 0.3802 0.0126 2.0228 H 1 UNL1 0.2221 42 H -0.6592 3.3171 -0.5915 H 1 UNL1 0.1743 43 H -3.7710 0.2160 -0.2327 H 1 UNL1 0.1788 44 H 2.3061 3.5352 -2.3233 H 1 UNL1 0.1827 45 H 1.0068 4.5766 -1.7088 H 1 UNL1 0.1574 46 H 2.6036 4.5760 -0.9362 H 1 UNL1 0.1826 47 H -0.9054 -3.0571 1.0530 H 1 UNL1 0.1753 48 H -2.2312 -1.0988 -2.5845 H 1 UNL1 0.1792 49 H -5.1361 -0.0009 2.4702 H 1 UNL1 0.1707 50 H -4.1903 1.4754 2.2768 H 1 UNL1 0.1576 51 H 1.4166 -2.3435 0.5862 H 1 UNL1 0.1885 52 H 0.0993 -0.3991 -3.0467 H 1 UNL1 0.1757 53 H 6.7603 0.0965 0.4457 H 1 UNL1 0.1650 54 H -6.2552 0.4555 0.1891 H 1 UNL1 0.2086 55 H -6.6509 1.6168 1.4549 H 1 UNL1 0.1847 56 H 7.0391 -2.7475 1.6942 H 1 UNL1 0.1510 57 H 8.3432 -1.7595 1.0322 H 1 UNL1 0.1602 58 H 7.4984 -1.2329 2.4914 H 1 UNL1 0.1619 59 H 5.4695 -1.0626 -1.3461 H 1 UNL1 0.1696 60 H 7.0580 -1.8193 -1.2300 H 1 UNL1 0.1579 61 H 5.6428 -2.6351 -0.5533 H 1 UNL1 0.1539 @BOND 1 52 7 1 2 48 5 1 3 44 10 1 4 7 5 ar 5 7 19 ar 6 5 18 ar 7 45 10 1 8 34 19 1 9 21 39 2 10 10 46 1 11 10 16 1 12 59 12 1 13 19 6 ar 14 60 12 1 15 30 25 1 16 20 28 2 17 18 39 1 18 18 4 ar 19 12 61 1 20 12 33 1 21 42 3 1 22 25 27 1 23 16 3 ar 24 16 31 ar 25 39 22 2 26 39 37 1 27 28 31 ar 28 28 35 ar 29 24 27 2 30 43 1 1 31 3 17 ar 32 6 4 ar 33 6 51 1 34 27 9 1 35 31 32 ar 36 35 29 ar 37 4 47 1 38 54 9 1 39 13 36 1 40 53 33 1 41 33 38 1 42 33 11 1 43 17 36 1 44 17 2 ar 45 36 26 am 46 9 55 1 47 9 8 1 48 1 37 1 49 1 26 1 50 1 8 1 51 37 14 1 52 32 2 ar 53 32 40 ar 54 29 38 1 55 29 40 ar 56 57 11 1 57 2 41 1 58 26 23 2 59 38 15 1 60 11 56 1 61 11 58 1 62 8 50 1 63 8 49 1