@MOLECULE l-allothreonylglycine 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 OG1 -2.8789 -1.3716 0.1800 O.3 1 THR1111111111 -0.5682 2 O -0.3148 -1.2939 -0.7611 O.2 1 THR1111111111 -0.5473 3 O 2.8228 1.3064 0.1541 O.3 2 GLY2222222222 -0.5780 4 OXT 4.1078 -0.3679 -0.5690 O.2 2 GLY2222222222 -0.4730 5 N -1.2168 1.8750 -0.4100 N.3 1 THR1111111111 -0.6250 6 N 0.7985 -0.1614 0.8460 N.am 2 GLY2222222222 -0.5699 7 CA -1.4778 0.5859 0.2464 C.3 1 THR1111111111 -0.0965 8 CB -2.7734 -0.0632 -0.3363 C.3 1 THR1111111111 0.1908 9 C -0.3043 -0.3840 0.0447 C.2 1 THR1111111111 0.5352 10 CG2 -4.0184 0.6667 0.1491 C.3 1 THR1111111111 -0.4657 11 CA 2.0333 -0.8896 0.5965 C.3 2 GLY2222222222 -0.1385 12 C 3.1043 -0.0134 -0.0163 C.2 2 GLY2222222222 0.6060 13 HA -1.6360 0.7746 1.3415 H 1 THR1111111111 0.1772 14 HB -2.7186 -0.1143 -1.4463 H 1 THR1111111111 0.1234 15 HG21 -3.9336 1.7490 -0.0119 H 1 THR1111111111 0.1659 16 HG22 -4.9131 0.3048 -0.3715 H 1 THR1111111111 0.1570 17 HG23 -4.1841 0.4937 1.2210 H 1 THR1111111111 0.1627 18 H1 -1.3136 1.8238 -1.4134 H 1 THR1111111111 0.2603 19 H2 -0.3007 2.2323 -0.1880 H 1 THR1111111111 0.2575 20 H 0.8638 0.6371 1.4606 H 2 GLY2222222222 0.3227 21 HA1 1.8434 -1.7654 -0.0887 H 2 GLY2222222222 0.2171 22 HA2 2.4228 -1.3240 1.5527 H 2 GLY2222222222 0.1812 23 HG1 -2.1975 -1.9543 -0.2276 H 1 THR1111111111 0.3407 24 H 3.5107 1.9076 -0.2286 H 2 GLY2222222222 0.3645 @BOND 1 1 8 1 2 1 23 1 3 2 9 2 4 3 12 1 5 3 24 1 6 4 12 2 7 5 7 1 8 5 18 1 9 5 19 1 10 6 9 am 11 6 11 1 12 6 20 1 13 7 8 1 14 7 9 1 15 7 13 1 16 8 10 1 17 8 14 1 18 10 15 1 19 10 16 1 20 10 17 1 21 11 12 1 22 11 21 1 23 11 22 1