@MOLECULE (3r,4s,5s)-6-(hydroxyamino)-2,3,4,5-tetrahydro-3,4,5-pyridinetriol 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.1997 -0.0520 -0.1576 C.2 1 UNL111111111 0.2294 2 C 0.1473 1.0413 -0.3216 C.3 1 UNL111111111 0.0987 3 C -1.2353 0.6140 0.2102 C.3 1 UNL111111111 0.0663 4 C -1.5923 -0.8040 -0.2700 C.3 1 UNL111111111 0.1180 5 C -0.5029 -1.7973 0.1788 C.3 1 UNL111111111 -0.1230 6 N 0.8050 -1.3804 -0.3495 N.pl3 1 UNL111111111 -0.5250 7 O 3.3536 -0.6552 0.1294 O.2 1 UNL111111111 -0.3276 8 N 2.4275 0.3669 -0.0188 N.2 1 UNL111111111 -0.3161 9 O 0.4531 2.1929 0.4303 O.3 1 UNL111111111 -0.5586 10 O -2.2267 1.4398 -0.3640 O.3 1 UNL111111111 -0.5628 11 O -2.7601 -1.2453 0.3879 O.3 1 UNL111111111 -0.5519 12 H 0.0910 1.3442 -1.3982 H 1 UNL111111111 0.1648 13 H -1.2900 0.7095 1.3186 H 1 UNL111111111 0.1574 14 H -1.7690 -0.8318 -1.3681 H 1 UNL111111111 0.1504 15 H -0.7362 -2.8109 -0.2244 H 1 UNL111111111 0.1686 16 H -0.5074 -1.8864 1.2895 H 1 UNL111111111 0.1508 17 H 1.5389 -2.0749 -0.2130 H 1 UNL111111111 0.3086 18 H 4.2159 -0.1417 0.1855 H 1 UNL111111111 0.3184 19 H 1.4235 2.3686 0.4376 H 1 UNL111111111 0.3527 20 H -2.0441 2.3815 -0.1456 H 1 UNL111111111 0.3409 21 H -3.4749 -0.5784 0.2672 H 1 UNL111111111 0.3401 @BOND 1 1 2 1 2 1 6 1 3 1 8 2 4 2 3 1 5 2 9 1 6 2 12 1 7 3 4 1 8 3 10 1 9 3 13 1 10 4 5 1 11 4 11 1 12 4 14 1 13 5 6 1 14 5 15 1 15 5 16 1 16 6 17 1 17 7 8 1 18 7 18 1 19 9 19 1 20 10 20 1 21 11 21 1