@MOLECULE n-[(1s,2s)-1,3-dihydroxy-1-(4-nitrophenyl)-2-propanyl]acetamide 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8078 1.6822 -0.0420 O.2 1 UNL1 -0.3659 2 O -1.0250 -2.9158 -0.0546 O.2 1 UNL1 -0.1253 3 O -5.6488 0.2217 0.0475 O.3 1 UNL1 -0.3841 4 O 5.3264 1.1023 -0.0197 O.2 1 UNL1 -0.3398 5 O 5.1008 -1.0430 0.1216 O.2 1 UNL1 -0.3649 6 N -3.4624 -0.6663 -0.0275 N.pl3 1 UNL1 -0.2837 7 N 4.6581 0.0888 0.0365 N.pl3 1 UNL1 0.6292 8 CA -2.0633 -0.6432 -0.0353 C.2 1 UNL1 -0.3036 9 C -1.2866 0.5941 -0.0400 C.2 1 UNL1 0.4677 10 C 0.1867 0.4619 -0.0390 C.ar 1 UNL1 0.0152 11 C -1.4988 -1.8705 -0.0483 C.1 1 UNL1 0.5652 12 C 0.9744 -0.6895 0.0141 C.ar 1 UNL1 -0.1546 13 C 1.1668 1.4496 -0.0776 C.ar 1 UNL1 0.0430 14 C -4.1803 0.3591 0.0460 C.3 1 UNL1 0.0695 15 C 2.2428 -0.7695 0.0321 C.ar 1 UNL1 0.0822 16 C 2.4387 1.3758 -0.0618 C.ar 1 UNL1 -0.0353 17 C 3.2210 0.2281 0.0016 C.ar 1 UNL1 0.0183 18 C -5.1873 1.4465 0.1274 C.3 1 UNL1 0.4670 @BOND 1 13 16 ar 2 13 10 ar 3 16 17 ar 4 2 11 2 5 11 8 2 6 1 9 2 7 9 10 1 8 9 8 1 9 10 12 ar 10 8 6 1 11 6 14 1 12 4 7 2 13 17 15 ar 14 17 7 1 15 12 15 ar 16 7 5 2 17 14 3 1 18 14 18 1 19 3 18 1