@MOLECULE (2S)-2-amino-3-[ethoxy-(isopropylamino)phosphoryl]oxy-propanoic acid 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 N1 -3.8562 -0.3924 0.9607 N.3 1 <1> -0.6261 2 C1 -2.5412 0.1861 0.6775 C.3 1 <1> -0.0386 3 C2 -2.2970 0.3101 -0.8191 C.2 1 <1> 0.6027 4 O1 -2.3733 -0.5495 -1.6578 O.2 1 <1> -0.5282 5 C3 -1.4521 -0.7567 1.2747 C.3 1 <1> 0.0046 6 O2 -0.2665 0.0054 1.0557 O.3 1 <1> -0.3790 7 O3 1.7456 -1.2751 2.1750 O.2 1 <1> -0.2398 8 P1 1.2200 -0.6179 0.9806 P.3 1 <1> 0.2489 9 N2 2.0150 0.7762 0.4691 N.3 1 <1> -0.3924 10 C4 1.3567 1.8675 -0.3353 C.3 1 <1> 0.1447 11 C5 2.4715 2.3987 -1.2591 C.3 1 <1> -0.4736 12 C6 0.8185 3.0036 0.5503 C.3 1 <1> -0.4909 13 O4 1.2207 -1.7084 -0.1737 O.3 1 <1> -0.2031 14 C7 0.8961 -1.4538 -1.5630 C.3 1 <1> -0.0278 15 C8 1.6828 -2.5710 -2.2510 C.3 1 <1> -0.4594 16 O5 -2.0283 1.5934 -1.1651 O.3 1 <1> -0.5600 17 H1 -4.0049 -1.2733 0.4902 H 1 <1> 0.2665 18 H2 -4.6129 0.2369 0.7514 H 1 <1> 0.2588 19 H3 -2.4602 1.1945 1.1686 H 1 <1> 0.1869 20 H4 -1.4763 -1.7494 0.7864 H 1 <1> 0.1396 21 H5 -1.6161 -0.8762 2.3665 H 1 <1> 0.1511 22 H6 -1.8703 1.7249 -2.1311 H 1 <1> 0.3502 23 H7 2.5529 1.2099 1.2679 H 1 <1> 0.2922 24 H8 0.5172 1.4764 -0.9691 H 1 <1> 0.1411 25 H9 2.0783 3.1428 -1.9565 H 1 <1> 0.1430 26 H10 3.2841 2.8624 -0.6909 H 1 <1> 0.1486 27 H11 2.9146 1.5815 -1.8436 H 1 <1> 0.1603 28 H12 -0.0024 2.6555 1.1929 H 1 <1> 0.1663 29 H13 0.4185 3.8185 -0.0622 H 1 <1> 0.1506 30 H14 1.5930 3.4249 1.1977 H 1 <1> 0.1435 31 H15 -0.1987 -1.5854 -1.6874 H 1 <1> 0.1348 32 H16 1.1941 -0.4642 -1.9508 H 1 <1> 0.1214 33 H17 1.3523 -2.7018 -3.2850 H 1 <1> 0.1460 34 H18 2.7586 -2.3585 -2.2489 H 1 <1> 0.1549 35 H19 1.5441 -3.5266 -1.7252 H 1 <1> 0.1623 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 2 3 1 5 2 5 1 6 2 19 1 7 3 4 2 8 3 16 1 9 5 6 1 10 5 20 1 11 5 21 1 12 6 8 1 13 7 8 2 14 8 9 1 15 8 13 1 16 9 10 1 17 9 23 1 18 10 11 1 19 10 12 1 20 10 24 1 21 11 25 1 22 11 26 1 23 11 27 1 24 12 28 1 25 12 29 1 26 12 30 1 27 13 14 1 28 14 15 1 29 14 31 1 30 14 32 1 31 15 33 1 32 15 34 1 33 15 35 1 34 16 22 1