@MOLECULE (2r)-3-[(benzylcarbamoyl)amino]-2-hydroxypropanoic acid 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7001 -0.5921 0.6251 O.2 1 UNL1111111111 -0.2894 2 C -4.9969 -0.1185 -0.2265 C.2 1 UNL1111111111 0.0806 3 C -3.5712 -0.5267 -0.5535 C.3 1 UNL1111111111 0.1856 4 O -3.3957 -1.8816 -0.2369 O.3 1 UNL1111111111 -0.4517 5 C -2.5896 0.3412 0.2594 C.3 1 UNL1111111111 -0.3058 6 N -1.2324 -0.1382 -0.0303 N.am 1 UNL1111111111 -0.8088 7 C -0.1822 0.6582 0.4317 C.2 1 UNL1111111111 0.6674 8 O -0.3609 1.7909 0.8407 O.2 1 UNL1111111111 -0.4114 9 N 1.0825 0.0563 0.4056 N.am 1 UNL1111111111 -0.6495 10 C 2.2166 0.9649 0.6844 C.3 1 UNL1111111111 -0.5920 11 C 3.4978 0.3357 0.2156 C.ar 1 UNL1111111111 0.3271 12 C 4.1275 0.8046 -0.9377 C.ar 1 UNL1111111111 -0.3217 13 C 5.3263 0.2304 -1.3558 C.ar 1 UNL1111111111 -0.1654 14 C 5.8942 -0.8130 -0.6262 C.ar 1 UNL1111111111 -0.2066 15 C 5.2589 -1.2876 0.5206 C.ar 1 UNL1111111111 -0.1360 16 C 4.0610 -0.7154 0.9416 C.ar 1 UNL1111111111 -0.3539 17 O -5.4046 0.8884 -1.0274 O.3 1 UNL1111111111 -0.3997 18 H -3.3589 -0.4854 -1.6517 H 1 UNL1111111111 0.2282 19 H -6.3324 1.1924 -0.8507 H 1 UNL1111111111 0.3629 20 H -3.7946 -2.1020 0.6397 H 1 UNL1111111111 0.3393 21 H -2.6707 1.4183 -0.0346 H 1 UNL1111111111 0.2468 22 H -2.8130 0.2911 1.3499 H 1 UNL1111111111 0.2087 23 H -1.1349 -1.1399 -0.1292 H 1 UNL1111111111 0.4487 24 H 1.2749 -0.6870 -0.2517 H 1 UNL1111111111 0.4328 25 H 2.0509 1.9672 0.2189 H 1 UNL1111111111 0.2643 26 H 2.2384 1.1515 1.7875 H 1 UNL1111111111 0.2785 27 H 3.6877 1.6201 -1.5098 H 1 UNL1111111111 0.2253 28 H 3.5620 -1.0851 1.8372 H 1 UNL1111111111 0.2388 29 H 5.8210 0.5988 -2.2526 H 1 UNL1111111111 0.1875 30 H 6.8339 -1.2559 -0.9509 H 1 UNL1111111111 0.1879 31 H 5.7009 -2.1042 1.0885 H 1 UNL1111111111 0.1816 @BOND 1 1 2 2 2 2 3 1 3 2 17 1 4 3 4 1 5 3 5 1 6 3 18 1 7 4 20 1 8 5 6 1 9 5 21 1 10 5 22 1 11 6 7 am 12 6 23 1 13 7 8 2 14 7 9 am 15 9 10 1 16 9 24 1 17 10 11 1 18 10 25 1 19 10 26 1 20 11 12 ar 21 11 16 ar 22 12 13 ar 23 12 27 1 24 13 14 ar 25 13 29 1 26 14 15 ar 27 14 30 1 28 15 16 ar 29 15 31 1 30 16 28 1 31 17 19 1