@MOLECULE (4s)-4,5-dihydroxy-l-norvaline 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5762 0.8430 1.2355 O.3 1 UNL1111111111 -0.5588 2 O 3.3244 -0.8332 -0.2524 O.3 1 UNL1111111111 -0.5565 3 O -1.3188 -1.5665 0.9430 O.3 1 UNL1111111111 -0.5519 4 OXT -2.4963 -1.0347 -0.8735 O.2 1 UNL1111111111 -0.5180 5 N -2.2057 1.7277 -0.1315 N.3 1 UNL1111111111 -0.6313 6 C 0.0645 0.9007 -0.5473 C.3 1 UNL1111111111 -0.3222 7 C 1.2253 0.1181 0.0709 C.3 1 UNL1111111111 0.1377 8 CA -1.2247 0.7170 0.2754 C.3 1 UNL1111111111 0.0153 9 C 2.4357 0.0783 -0.8811 C.3 1 UNL1111111111 -0.0669 10 C -1.7631 -0.6887 0.0150 C.2 1 UNL1111111111 0.5727 11 H -0.0945 0.6193 -1.6031 H 1 UNL1111111111 0.1543 12 H 0.3166 1.9882 -0.5505 H 1 UNL1111111111 0.1925 13 H 0.9381 -0.9145 0.3818 H 1 UNL1111111111 0.1495 14 HA -0.9881 0.8518 1.3703 H 1 UNL1111111111 0.1982 15 H 2.9210 1.0664 -0.9610 H 1 UNL1111111111 0.1310 16 H 2.1710 -0.3017 -1.8813 H 1 UNL1111111111 0.1235 17 H1 -3.0083 1.7589 0.4758 H 1 UNL1111111111 0.2606 18 H2 -2.5108 1.6118 -1.0871 H 1 UNL1111111111 0.2662 19 H 2.3721 0.4387 1.6444 H 1 UNL1111111111 0.3314 20 H 4.1538 -0.9089 -0.7610 H 1 UNL1111111111 0.3176 21 H -1.6389 -2.4936 0.8084 H 1 UNL1111111111 0.3551 @BOND 1 1 7 1 2 1 19 1 3 2 9 1 4 2 20 1 5 3 10 1 6 3 21 1 7 4 10 2 8 5 8 1 9 5 17 1 10 5 18 1 11 6 7 1 12 6 8 1 13 6 11 1 14 6 12 1 15 7 9 1 16 7 13 1 17 8 10 1 18 8 14 1 19 9 15 1 20 9 16 1