@MOLECULE o-acetyl-d-serine 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O1 1.0224 0.1606 -0.2352 O.3 1 <1> -0.4360 2 O2 -2.0110 1.5955 -0.6028 O.3 1 <1> -0.5406 3 O3 -2.1122 0.5517 1.3701 O.2 1 <1> -0.5054 4 O4 2.8023 -0.9872 0.5050 O.2 1 <1> -0.4979 5 N1 -2.1173 -1.7224 -0.5355 N.3 1 <1> -0.6306 6 C1 -1.1626 -0.6104 -0.5618 C.3 1 <1> -0.0314 7 C2 0.1890 -0.9421 0.1104 C.3 1 <1> -0.0747 8 C3 -1.8093 0.5323 0.2077 C.2 1 <1> 0.6407 9 C4 2.3510 0.0263 0.0433 C.2 1 <1> 0.6300 10 C5 3.0561 1.2840 -0.3202 C.3 1 <1> -0.5091 11 H1 -0.9896 -0.3025 -1.6326 H 1 <1> 0.1941 12 H2 0.1211 -0.9980 1.2129 H 1 <1> 0.1570 13 H3 0.6236 -1.8813 -0.2760 H 1 <1> 0.1492 14 H4 -2.3211 -2.0436 0.3997 H 1 <1> 0.2700 15 H5 -1.8302 -2.4931 -1.1150 H 1 <1> 0.2657 16 H6 2.6365 2.1521 0.2150 H 1 <1> 0.1906 17 H7 2.9643 1.5021 -1.3964 H 1 <1> 0.1879 18 H8 4.1284 1.2187 -0.0757 H 1 <1> 0.1871 19 H9 -2.4405 2.3638 -0.1492 H 1 <1> 0.3534 @BOND 1 1 7 1 2 1 9 1 3 2 8 1 4 2 19 1 5 3 8 2 6 4 9 2 7 5 6 1 8 5 14 1 9 5 15 1 10 6 7 1 11 6 8 1 12 6 11 1 13 7 12 1 14 7 13 1 15 9 10 1 16 10 16 1 17 10 17 1 18 10 18 1