@MOLECULE (2s,3r,4s)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6238 0.1541 -1.7412 O.3 1 UNL1111111111 -0.5367 2 C -2.8070 -0.1049 -0.4307 C.2 1 UNL1111111111 0.5872 3 O -3.7906 -0.6539 -0.0084 O.2 1 UNL1111111111 -0.5009 4 C -1.6536 0.4216 0.3985 C.3 1 UNL1111111111 0.0309 5 O -1.7492 -0.0717 1.7176 O.3 1 UNL1111111111 -0.5480 6 C -0.2905 -0.0716 -0.1297 C.3 1 UNL1111111111 0.1126 7 O -0.0947 -1.4290 0.1760 O.3 1 UNL1111111111 -0.5651 8 C 0.8426 0.7510 0.5351 C.3 1 UNL1111111111 0.0154 9 O 0.5804 2.1001 0.2497 O.3 1 UNL1111111111 -0.5374 10 C 2.2075 0.3393 -0.0178 C.2 1 UNL1111111111 0.4787 11 O 2.9329 1.1438 -0.5648 O.2 1 UNL1111111111 -0.5055 12 N 2.6308 -0.9506 0.3053 N.am 1 UNL1111111111 -0.3697 13 O 3.7137 -1.4174 -0.4435 O.3 1 UNL1111111111 -0.2826 14 H -3.3572 -0.1789 -2.3223 H 1 UNL1111111111 0.3651 15 H -1.6877 1.5434 0.4518 H 1 UNL1111111111 0.1989 16 H -2.6774 -0.3325 1.9364 H 1 UNL1111111111 0.3521 17 H -0.2384 -0.0255 -1.2441 H 1 UNL1111111111 0.1787 18 H -0.4738 -1.6393 1.0664 H 1 UNL1111111111 0.3519 19 H 0.8092 0.6677 1.6492 H 1 UNL1111111111 0.1827 20 H 1.3006 2.4909 -0.3107 H 1 UNL1111111111 0.3535 21 H 1.9529 -1.7111 0.3181 H 1 UNL1111111111 0.3297 22 H 4.4552 -0.7560 -0.2675 H 1 UNL1111111111 0.3085 @BOND 1 1 14 1 2 2 1 1 3 2 4 1 4 3 2 2 5 4 5 1 6 4 15 1 7 5 16 1 8 6 4 1 9 6 7 1 10 6 8 1 11 6 17 1 12 7 18 1 13 8 10 1 14 8 19 1 15 9 8 1 16 9 20 1 17 10 11 2 18 10 12 am 19 12 13 1 20 12 21 1 21 13 22 1