@MOLECULE s-[(2r,3r)-2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl]-l-homocysteine 33 32 0 0 0 SMALL GASTEIGER @ATOM 1 O1 6.3185 -0.5862 -0.8798 O.2 1 <1> -0.4911 2 C1 5.7261 -0.3610 0.1391 C.2 1 <1> 0.6254 3 O2 6.0792 -0.9407 1.3121 O.3 1 <1> -0.5580 4 C2 4.5002 0.5173 0.3448 C.3 1 <1> -0.0092 5 N1 4.7779 1.7829 -0.3465 N.3 1 <1> -0.6333 6 C3 3.2777 -0.2746 -0.1792 C.3 1 <1> -0.3177 7 C4 1.9835 0.4173 0.2274 C.3 1 <1> -0.3271 8 S1 0.5652 -0.6113 -0.3406 S.3 1 <1> 0.0018 9 C5 -0.8308 0.5611 -0.1246 C.3 1 <1> -0.3814 10 C6 -2.1187 -0.2108 0.1374 C.3 1 <1> 0.1567 11 O3 -2.5449 -0.9206 -0.9983 O.3 1 <1> -0.5696 12 C7 -3.2387 0.7692 0.5732 C.3 1 <1> -0.0005 13 O4 -3.0507 1.9331 -0.1980 O.3 1 <1> -0.5437 14 C8 -4.6662 0.2646 0.3263 C.2 1 <1> 0.4870 15 O5 -5.5780 1.0623 0.2558 O.2 1 <1> -0.5063 16 N2 -4.8921 -1.1119 0.4004 N.am 1 <1> -0.3687 17 O6 -6.1512 -1.5160 -0.0552 O.3 1 <1> -0.2832 18 H1 6.8807 -1.5175 1.2472 H 1 <1> 0.3574 19 H2 4.3732 0.7440 1.4406 H 1 <1> 0.1813 20 H3 5.0229 1.6497 -1.3182 H 1 <1> 0.2697 21 H4 4.0126 2.4323 -0.2767 H 1 <1> 0.2592 22 H5 3.3486 -0.3849 -1.2822 H 1 <1> 0.1694 23 H6 3.3155 -1.3099 0.2245 H 1 <1> 0.1687 24 H7 1.9296 0.5433 1.3243 H 1 <1> 0.1564 25 H8 1.9134 1.4249 -0.2174 H 1 <1> 0.1498 26 H9 -0.6284 1.2695 0.6992 H 1 <1> 0.1712 27 H10 -0.9343 1.1895 -1.0338 H 1 <1> 0.1843 28 H11 -1.9996 -1.0224 0.8986 H 1 <1> 0.1626 29 H12 -2.5699 -0.3464 -1.7961 H 1 <1> 0.3425 30 H13 -3.1285 1.0438 1.6506 H 1 <1> 0.1573 31 H14 -3.8811 2.4744 -0.2149 H 1 <1> 0.3504 32 H15 -4.2351 -1.7564 -0.0393 H 1 <1> 0.3312 33 H16 -6.8117 -1.0041 0.5092 H 1 <1> 0.3075 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 18 1 5 4 5 1 6 4 6 1 7 4 19 1 8 5 20 1 9 5 21 1 10 6 7 1 11 6 22 1 12 6 23 1 13 7 8 1 14 7 24 1 15 7 25 1 16 8 9 1 17 9 10 1 18 9 26 1 19 9 27 1 20 10 11 1 21 10 12 1 22 10 28 1 23 11 29 1 24 12 13 1 25 12 14 1 26 12 30 1 27 13 31 1 28 14 15 2 29 14 16 am 30 16 17 1 31 16 32 1 32 17 33 1