@MOLECULE GLU 18 17 1 0 0 SMALL No Charge or Current Charge @ATOM 1 N 3.3260 1.5480 -0.0000 ne 1 GLU 0.0000 2 CA 3.9700 2.8460 -0.0000 ce 1 GLU 0.0000 3 CB 3.5770 3.6540 1.2320 cg 1 GLU 0.0000 4 CG 4.2670 4.9960 1.1950 ch 1 GLU 0.0000 5 CD 3.8740 5.8050 2.4290 c 1 GLU 0.0000 6 OE1 4.5950 5.6790 3.4540 o 1 GLU 0.0000 7 OE2 2.8560 6.5420 2.3340 o 1 GLU 0.0000 8 C 5.4860 2.7050 -0.0000 c1 1 GLU 0.0000 9 O 6.0090 1.5930 -0.0000 o 1 GLU 0.0000 10 C1 -1.1980 -0.2150 0.7360 ce 1 0.0000 11 C2 0.1080 0.5590 0.5600 cg 1 0.0000 12 C3 1.2750 -0.4230 0.4760 ch 1 0.0000 13 C4 2.5650 0.3420 0.3010 cf 1 0.0000 14 O1 3.6230 -0.2590 0.2120 o 1 0.0000 15 N1 -1.3980 -1.1280 -0.4310 n1 1 0.0000 16 C5 -2.3510 0.7560 0.8200 c 1 0.0000 17 O2 -3.0540 0.7840 1.8160 o 1 0.0000 18 O3 -2.5900 1.5430 -0.1480 o 1 0.0000 @BOND 1 1 2 1 2 1 13 2 3 2 3 1 4 2 8 2 5 3 4 3 6 4 5 1 7 5 6 1 8 5 7 1 9 8 9 2 10 10 11 1 11 10 15 2 12 10 16 1 13 11 12 3 14 12 13 1 15 13 14 1 16 16 17 1 17 16 18 1 @SUBSTRUCTURE 1 GLU 1 TEMP 0 **** **** 0 ROOT