@MOLECULE (2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7914 -0.6523 0.0064 O.2 1 UNL111111111 -0.5009 2 C -2.8074 -0.1048 0.4297 C.2 1 UNL111111111 0.5872 3 O -2.6245 0.1515 1.7409 O.3 1 UNL111111111 -0.5368 4 C -1.6534 0.4220 -0.3985 C.3 1 UNL111111111 0.0309 5 O -1.7477 -0.0705 -1.7180 O.3 1 UNL111111111 -0.5481 6 C -0.2907 -0.0716 0.1303 C.3 1 UNL111111111 0.1128 7 O -0.0948 -1.4290 -0.1754 O.3 1 UNL111111111 -0.5650 8 C 0.8425 0.7518 -0.5332 C.3 1 UNL111111111 0.0153 9 O 0.5803 2.1004 -0.2451 O.3 1 UNL111111111 -0.5376 10 C 2.2079 0.3393 0.0176 C.2 1 UNL111111111 0.4787 11 O 2.9355 1.1440 0.5615 O.2 1 UNL111111111 -0.5054 12 N 2.6286 -0.9517 -0.3043 N.am 1 UNL111111111 -0.3698 13 O 3.7132 -1.4182 0.4423 O.3 1 UNL111111111 -0.2827 14 H -3.3582 -0.1822 2.3213 H 1 UNL111111111 0.3652 15 H -1.6870 1.5439 -0.4508 H 1 UNL111111111 0.1988 16 H -2.6763 -0.3280 -1.9392 H 1 UNL111111111 0.3521 17 H -0.2396 -0.0262 1.2446 H 1 UNL111111111 0.1787 18 H -0.4721 -1.6388 -1.0668 H 1 UNL111111111 0.3519 19 H 0.8082 0.6705 -1.6475 H 1 UNL111111111 0.1826 20 H 1.3025 2.4913 0.3126 H 1 UNL111111111 0.3536 21 H 1.9497 -1.7116 -0.3135 H 1 UNL111111111 0.3299 22 H 4.4554 -0.7588 0.2622 H 1 UNL111111111 0.3084 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 14 1 5 4 5 1 6 4 6 1 7 4 15 1 8 5 16 1 9 6 8 1 10 6 7 1 11 6 17 1 12 7 18 1 13 8 9 1 14 8 10 1 15 8 19 1 16 9 20 1 17 10 12 am 18 10 11 2 19 12 13 1 20 12 21 1 21 13 22 1