@MOLECULE n-[(2r)-3-hydroxy-1-(4-nitrophenyl)-1-oxo-2-propanyl]acetamide 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.5511 -2.2881 -0.4422 O.3 1 UNK111 -0.5514 2 O -1.3641 -0.2094 2.1193 O.2 1 UNK111 -0.4113 3 O -4.0747 1.0328 -1.5737 O.2 0 UNK0 -0.5358 4 O 5.0380 1.3565 -0.5342 O.2 1 UNK1 -0.3942 5 O 5.1750 -0.7905 -0.4614 O.2 1 UNK1 -0.3899 6 N -3.3234 0.0997 0.3316 N.am 1 UNK1 -0.6244 7 N 4.5499 0.2520 -0.3580 N.pl3 1 UNK1 0.6137 8 C -1.9535 0.0868 -0.1787 C.3 1 UNK1 -0.0669 9 C -0.9777 -0.0537 0.9906 C.2 1 UNK1 0.4458 10 C -1.7413 -1.0918 -1.1594 C.3 1 UNK1 -0.0123 11 C 0.4636 0.0305 0.6401 C.ar 1 UNK1 -0.0877 12 C 1.0811 1.2784 0.5644 C.ar 1 UNK1 -0.1434 13 C 1.1725 -1.1460 0.4010 C.ar 1 UNK1 -0.1205 14 C -4.3279 0.6484 -0.4510 C.2 0 UNK0 0.6135 15 C 2.4311 1.3559 0.2353 C.ar 1 UNK1 -0.0901 16 C 2.5240 -1.0787 0.0746 C.ar 1 UNK1 -0.0924 17 C 3.1366 0.1743 -0.0077 C.ar 1 UNK1 -0.0612 18 C -5.6902 0.6921 0.1734 C.3 0 UNK0 -0.5291 19 H -1.7500 1.0504 -0.7317 H 1 UNK1 0.1882 20 H -2.5931 -1.1871 -1.8586 H 1 UNK1 0.1515 21 H -0.8021 -0.9835 -1.7345 H 1 UNK1 0.1531 22 H -3.4566 -0.1676 1.2967 H 1 UNK1 0.3322 23 H 0.5165 2.1894 0.7666 H 1 UNK1 0.1692 24 H 0.6656 -2.1157 0.4630 H 1 UNK1 0.1917 25 H 2.9349 2.3257 0.1675 H 1 UNK1 0.1883 26 H 3.0980 -1.9918 -0.1157 H 1 UNK1 0.1902 27 H -2.3782 -2.5563 0.0095 H 1 UNK1 0.3257 28 H -6.4218 1.1036 -0.5437 H 0 UNK0 0.1919 29 H -6.0477 -0.3050 0.4636 H 0 UNK0 0.1771 30 H -5.7152 1.3353 1.0640 H 0 UNK0 0.1784 @BOND 1 20 10 1 2 21 10 1 3 3 14 2 4 10 1 1 5 10 8 1 6 19 8 1 7 28 18 1 8 4 7 2 9 5 7 2 10 14 18 1 11 14 6 am 12 1 27 1 13 7 17 1 14 8 6 1 15 8 9 1 16 26 16 1 17 17 16 ar 18 17 15 ar 19 16 13 ar 20 25 15 1 21 18 29 1 22 18 30 1 23 15 12 ar 24 6 22 1 25 13 24 1 26 13 11 ar 27 12 11 ar 28 12 23 1 29 11 9 1 30 9 2 2