@MOLECULE (2r,3r)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl bromoacetate 37 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.5859 -2.0333 -1.6148 C.3 1 UNL1 0.1076 2 C -0.5556 -0.9660 -1.4496 C.3 1 UNL1 0.0393 3 C 2.8527 -0.9692 -1.4734 C.ar 1 UNL1 -0.1680 4 C 1.9464 -2.0578 0.4957 C.ar 1 UNL1 -0.1639 5 C 3.9839 -0.5956 -0.7555 C.ar 1 UNL1 -0.0788 6 C 3.0735 -1.6932 1.2244 C.ar 1 UNL1 -0.0872 7 C -1.8050 -1.6266 -0.8383 C.3 1 UNL1 -0.0306 8 C -4.3586 0.9246 -0.1926 C.3 1 UNL1 -0.3466 9 H 0.6957 -3.9614 -1.1379 H 1 UNL1 0.3346 10 H -0.4153 0.1156 0.3776 H 1 UNL1 0.3487 11 C 1.8317 -1.6857 -0.8451 C.ar 1 UNL1 -0.0255 12 C 4.0773 -0.9548 0.5916 C.ar 1 UNL1 -0.0727 13 O 0.9854 1.1341 -2.2960 O.2 1 UNL1 -0.4862 14 O 5.2272 -0.7170 2.5671 O.2 1 UNL1 -0.3974 15 O -2.3827 0.2454 1.0276 O.2 1 UNL1 -0.5092 16 O 0.0301 -3.2429 -1.1329 O.3 1 UNL1 -0.5727 17 C 0.6856 1.1207 -1.1216 C.2 1 UNL1 0.5409 18 C -3.1134 0.1431 0.0753 C.2 1 UNL1 0.6148 19 O -2.9061 -0.7275 -0.9395 O.3 1 UNL1 -0.4098 20 C 1.1899 2.1437 -0.1168 C.3 1 UNL1 -0.1252 21 CL 2.0969 1.2715 1.1242 Cl 1 UNL1 -0.0824 22 CL 2.2693 3.2631 -0.9158 Cl 1 UNL1 -0.0278 23 N -0.1366 0.1507 -0.5998 N.am 1 UNL1 -0.6001 24 O 6.1526 0.0188 0.7688 O.2 1 UNL1 -0.3935 25 N 5.2339 -0.5214 1.3625 N.pl3 1 UNL1 0.6227 26 BR -5.8137 0.0863 0.7856 Br 1 UNL1 -0.0178 27 H 0.8007 -2.1787 -2.7007 H 1 UNL1 0.1424 28 H -0.8048 -0.5608 -2.4722 H 1 UNL1 0.1804 29 H 2.7539 -0.6700 -2.5205 H 1 UNL1 0.1822 30 H 1.1409 -2.6163 0.9769 H 1 UNL1 0.1753 31 H -2.1516 -2.4893 -1.4460 H 1 UNL1 0.1770 32 H -1.6528 -1.9543 0.2062 H 1 UNL1 0.1619 33 H 4.7813 -0.0150 -1.2322 H 1 UNL1 0.1913 34 H 3.1677 -1.9627 2.2815 H 1 UNL1 0.1885 35 H 0.3847 2.7206 0.3822 H 1 UNL1 0.1923 36 H -4.2631 1.9672 0.1651 H 1 UNL1 0.1980 37 H -4.6360 0.9415 -1.2634 H 1 UNL1 0.1976 @BOND 1 27 1 1 2 29 3 1 3 28 2 1 4 13 17 2 5 1 2 1 6 1 16 1 7 1 11 1 8 3 11 ar 9 3 5 ar 10 2 7 1 11 2 23 1 12 31 7 1 13 37 8 1 14 33 5 1 15 9 16 1 16 17 23 am 17 17 20 1 18 19 7 1 19 19 18 1 20 22 20 1 21 11 4 ar 22 7 32 1 23 5 12 ar 24 23 10 1 25 8 18 1 26 8 36 1 27 8 26 1 28 20 35 1 29 20 21 1 30 18 15 2 31 4 30 1 32 4 6 ar 33 12 6 ar 34 12 25 1 35 24 25 2 36 6 34 1 37 25 14 2