@MOLECULE 2-ammonio-4-[(1-ammonio-1-carboxylato-2-propanyl)oxy]-4-hydroxybutanoate 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 N1 -2.8275 -0.0784 1.9580 N.3 1 <1> -0.7688 2 C1 -3.0657 0.0150 0.5110 C.3 1 <1> -0.2272 3 C2 -2.8204 -1.3601 -0.0824 C.2 1 <1> 1.2181 4 O1 -2.0654 -2.2254 0.2631 O.2 1 <1> -0.9276 5 O2 -3.5877 -1.5029 -1.1970 O.3 1 <1> -0.6772 6 C3 -2.1422 1.0241 -0.2397 C.3 1 <1> 0.3770 7 C4 -2.5230 2.4710 0.0399 C.3 1 <1> -0.1255 8 O3 -0.8631 0.7838 0.3254 O.3 1 <1> -1.1074 9 C5 0.2193 0.7283 -0.5721 C.3 1 <1> 1.0657 10 O4 0.5636 2.0228 -0.9684 O.3 1 <1> -0.9485 11 C6 1.3307 0.0530 0.2381 C.3 1 <1> 1.0584 12 C7 2.6632 0.1125 -0.5311 C.3 1 <1> -1.4956 13 N2 2.7256 -0.6987 -1.7508 N.3 1 <1> -1.0439 14 C8 3.7431 -0.4269 0.3969 C.2 1 <1> 2.4811 15 O5 4.0286 -1.5669 0.6336 O.2 1 <1> -1.2413 16 O6 4.3770 0.6068 1.0068 O.3 1 <1> -1.2060 17 H1 -2.8242 0.8346 2.3881 H 1 <1> 0.3985 18 H2 -1.9399 -0.5280 2.1563 H 1 <1> 0.2915 19 H3 -4.1406 0.3109 0.3537 H 1 <1> 0.2048 20 H4 -3.5012 -2.3848 -1.6334 H 1 <1> 0.4070 21 H5 -2.1454 0.8191 -1.3342 H 1 <1> 0.0525 22 H6 -2.4324 2.7211 1.1036 H 1 <1> 0.1090 23 H7 -1.8571 3.1555 -0.5062 H 1 <1> -0.0150 24 H8 -3.5497 2.6904 -0.2751 H 1 <1> 0.0983 25 H9 -0.0424 0.2272 -1.5271 H 1 <1> 0.0496 26 H10 0.6929 2.6235 -0.2067 H 1 <1> 0.4633 27 H11 1.4289 0.5431 1.2283 H 1 <1> -0.2313 28 H12 1.0411 -0.9951 0.4649 H 1 <1> -0.2272 29 H13 2.8938 1.1815 -0.8132 H 1 <1> 0.4966 30 H14 2.5627 -1.6802 -1.5797 H 1 <1> 0.5276 31 H15 2.1044 -0.3590 -2.4652 H 1 <1> 0.4062 32 H16 5.1086 0.3267 1.6101 H 1 <1> 0.5373 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 2 3 1 5 2 6 1 6 2 19 1 7 3 4 2 8 3 5 1 9 5 20 1 10 6 7 1 11 6 8 1 12 6 21 1 13 7 22 1 14 7 23 1 15 7 24 1 16 8 9 1 17 9 10 1 18 9 11 1 19 9 25 1 20 10 26 1 21 11 12 1 22 11 27 1 23 11 28 1 24 12 13 1 25 12 14 1 26 12 29 1 27 13 30 1 28 13 31 1 29 14 15 2 30 14 16 1 31 16 32 1