@MOLECULE d-(+)-threonine 17 16 0 0 0 SMALL GASTEIGER @ATOM 1 OG1 -2.1677 -0.6926 -0.5418 O.3 1 THR1111111111 -0.5421 2 CB -1.1710 0.2701 -0.3378 C.3 1 THR1111111111 0.1797 3 CG2 -1.7500 1.5031 0.3449 C.3 1 THR1111111111 -0.5045 4 CA 0.0060 -0.3205 0.5139 C.3 1 THR1111111111 -0.0867 5 N -0.0208 -1.7831 0.4610 N.3 1 THR1111111111 -0.6156 6 C 1.2892 0.3306 0.0256 C.2 1 THR1111111111 0.5809 7 O 2.2085 -0.6037 -0.3253 O.3 1 THR1111111111 -0.5724 8 OXT 1.5352 1.5032 -0.0585 O.2 1 THR1111111111 -0.4951 9 HG1 -2.3961 -1.1606 0.2924 H 1 THR1111111111 0.3342 10 HB -0.8441 0.4905 -1.3818 H 1 THR1111111111 0.1472 11 HG21 -2.1751 1.2720 1.3272 H 1 THR1111111111 0.1541 12 HG22 -2.5610 1.9313 -0.2604 H 1 THR1111111111 0.1677 13 HG23 -0.9883 2.2844 0.4751 H 1 THR1111111111 0.1713 14 HA -0.1218 -0.0288 1.5964 H 1 THR1111111111 0.1819 15 H1 0.8178 -2.1934 0.8482 H 1 THR1111111111 0.2674 16 H2 -0.1490 -2.1281 -0.4816 H 1 THR1111111111 0.2691 17 H 3.0641 -0.2223 -0.6451 H 1 THR1111111111 0.3630 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 6 8 2 8 1 9 1 9 2 10 1 10 3 11 1 11 3 12 1 12 3 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 7 17 1