@MOLECULE n-methylglutamate 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.0629 2.7162 -0.0480 C.3 0 UNK0 -0.2625 2 N -1.4073 1.4256 0.5697 N.3 1 GLU1 -0.5290 3 CA -1.0805 0.2592 -0.2610 C.3 1 GLU1 -0.0091 4 C -2.2107 -0.7259 0.0397 C.2 1 GLU1 0.6307 5 OXT -2.4739 -1.2753 1.0727 O.2 1 GLU1 -0.4905 6 CB 0.2443 -0.4518 0.0762 C.3 1 GLU1 -0.3091 7 CG 1.4459 0.3860 -0.3541 C.3 1 GLU1 -0.3425 8 CD 2.7161 -0.3510 -0.0656 C.2 1 GLU1 0.6417 9 OE2 2.8958 -1.5281 0.0890 O.2 1 GLU1 -0.4901 10 OE1 3.7505 0.5296 0.0016 O.3 1 GLU1 -0.5725 11 O -2.9288 -0.9496 -1.0899 O.3 1 GLU1 -0.5663 12 H -1.4136 3.5239 0.6203 H 0 UNK0 0.1520 13 H 0.0094 2.8679 -0.2414 H 0 UNK0 0.1177 14 H -1.6114 2.8298 -0.9999 H 0 UNK0 0.1513 15 H -1.0333 1.3393 1.5126 H 1 GLU1 0.2745 16 HA -1.1075 0.5350 -1.3496 H 1 GLU1 0.1753 17 HB1 0.2930 -0.6820 1.1619 H 1 GLU1 0.1727 18 HB2 0.2798 -1.4482 -0.4184 H 1 GLU1 0.1775 19 HG1 1.4021 0.6194 -1.4418 H 1 GLU1 0.1817 20 HG2 1.4532 1.3745 0.1566 H 1 GLU1 0.1816 21 HE1 4.6256 0.1064 0.1818 H 1 GLU1 0.3595 22 H -3.7032 -1.5497 -0.9607 H 1 GLU1 0.3552 @BOND 1 1 2 1 2 1 12 1 3 1 13 1 4 1 14 1 5 2 3 1 6 2 15 1 7 3 4 1 8 3 16 1 9 4 11 1 10 5 4 2 11 6 3 1 12 6 7 1 13 6 17 1 14 6 18 1 15 7 19 1 16 7 20 1 17 8 7 1 18 8 10 1 19 9 8 2 20 10 21 1 21 11 22 1