@MOLECULE 4-methoxy-l-allothreonine 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6171 -2.2482 0.0674 O.3 1 UNL111111111111111111 -0.5430 2 O 2.0447 0.1337 0.1098 O.3 1 UNL111111111111111111 -0.3947 3 O -1.9407 -0.2034 -1.1266 O.3 1 UNL111111111111111111 -0.6017 4 OXT -1.3936 1.8683 -0.5155 O.2 1 UNL111111111111111111 -0.4940 5 N -0.1120 0.9233 1.8456 N.3 1 UNL111111111111111111 -0.6156 6 C 0.1380 -1.1693 0.5486 C.3 1 UNL111111111111111111 0.1355 7 CA -0.8099 -0.0078 0.9553 C.3 1 UNL111111111111111111 -0.0659 8 C 1.1681 -0.7797 -0.5326 C.3 1 UNL111111111111111111 -0.1103 9 C -1.3772 0.6942 -0.2701 C.2 1 UNL111111111111111111 0.5893 10 C 2.9209 0.7847 -0.7904 C.3 1 UNL111111111111111111 -0.1942 11 H 0.6440 -1.5822 1.4564 H 1 UNL111111111111111111 0.1787 12 HA -1.6778 -0.4506 1.5313 H 1 UNL111111111111111111 0.1958 13 H 0.6967 -0.3222 -1.4173 H 1 UNL111111111111111111 0.1256 14 H 1.7429 -1.6696 -0.8512 H 1 UNL111111111111111111 0.1432 15 H1 -0.5995 1.8042 1.9360 H 1 UNL111111111111111111 0.2678 16 H2 0.8346 1.0966 1.5288 H 1 UNL111111111111111111 0.2778 17 H -1.2345 -1.9536 -0.6400 H 1 UNL111111111111111111 0.3369 18 H 3.5243 1.4198 -0.1281 H 1 UNL111111111111111111 0.1490 19 H 2.3652 1.3997 -1.5052 H 1 UNL111111111111111111 0.1260 20 H 3.5601 0.0622 -1.3072 H 1 UNL111111111111111111 0.1270 21 H -2.3427 0.1976 -1.9348 H 1 UNL111111111111111111 0.3669 @BOND 1 1 6 1 2 1 17 1 3 2 8 1 4 2 10 1 5 3 9 1 6 3 21 1 7 4 9 2 8 5 7 1 9 5 15 1 10 5 16 1 11 6 7 1 12 6 8 1 13 6 11 1 14 7 9 1 15 7 12 1 16 8 13 1 17 8 14 1 18 10 18 1 19 10 19 1 20 10 20 1