@MOLECULE l-(+)-glutamine 20 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CA 1.1265 0.5260 0.4309 C.3 1 GLN1 -0.0129 2 N 1.2661 1.9099 -0.0629 N.3 1 GLN1 -0.6371 3 CB -0.1252 -0.2138 -0.0799 C.3 1 GLN1 -0.3025 4 CG -1.3790 0.2606 0.6577 C.3 1 GLN1 -0.3573 5 CD -2.6145 -0.1724 -0.1007 C.2 1 GLN1 0.5939 6 OE1 -2.5989 -0.6560 -1.2119 O.2 1 GLN1 -0.5169 7 NE2 -3.8249 0.0276 0.5402 N.am 1 GLN1 -0.7046 8 C 2.3484 -0.2585 -0.0168 C.2 1 GLN1 0.6170 9 O 2.9972 -0.1248 -1.0183 O.2 1 GLN1 -0.4922 10 OXT 2.6374 -1.2209 0.8937 O.3 1 GLN1 -0.5592 11 HA 1.1124 0.5813 1.5571 H 1 GLN1 0.1822 12 H1 0.3713 2.3653 -0.1518 H 1 GLN1 0.2569 13 H2 1.7429 1.9499 -0.9557 H 1 GLN1 0.2713 14 HB1 -0.0109 -1.3108 0.0496 H 1 GLN1 0.1705 15 HB2 -0.2419 -0.0737 -1.1775 H 1 GLN1 0.1818 16 HG1 -1.3832 1.3651 0.7656 H 1 GLN1 0.1670 17 HG2 -1.3898 -0.1437 1.6906 H 1 GLN1 0.1677 18 HE21 -4.6775 -0.2262 0.0800 H 1 GLN1 0.3146 19 HE22 -3.9061 0.4212 1.4482 H 1 GLN1 0.3012 20 HXT 3.4257 -1.7702 0.6543 H 1 GLN1 0.3586 @BOND 1 6 5 2 2 15 3 1 3 9 8 2 4 13 2 1 5 12 2 1 6 5 7 am 7 5 4 1 8 3 14 1 9 3 1 1 10 3 4 1 11 2 1 1 12 8 1 1 13 8 10 1 14 18 7 1 15 1 11 1 16 7 19 1 17 20 10 1 18 4 16 1 19 4 17 1