@MOLECULE l-glutamate(1-) 18 17 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 1.1213 1.8825 -0.2061 N.3 1 GLU1 -0.6270 2 CA 1.1106 0.5508 0.4109 C.3 1 GLU1 -0.0060 3 C 2.3457 -0.2542 0.0157 C.2 1 GLU1 0.5733 4 O 3.1760 0.0414 -0.8005 O.2 1 GLU1 -0.5019 5 CB -0.1433 -0.2318 -0.0231 C.3 1 GLU1 -0.2571 6 CG -1.3972 0.4660 0.5026 C.3 1 GLU1 -0.3253 7 CD -2.6264 -0.2103 -0.0910 C.2 1 GLU1 0.4918 8 OE1 -2.6227 -1.1596 -0.8365 O.co2 1 GLU1 -0.4499 9 OE2 -3.6978 0.4092 0.3399 O.co2 1 GLU1 -0.1304 10 OXT 2.4285 -1.3925 0.7409 O.3 1 GLU1 -0.5539 11 HA 1.1109 0.6818 1.5295 H 1 GLU1 0.1774 12 HB1 -0.1881 -0.3229 -1.1293 H 1 GLU1 0.1704 13 HB2 -0.0932 -1.2772 0.3518 H 1 GLU1 0.1746 14 HG1 -1.4404 0.4342 1.6095 H 1 GLU1 0.1733 15 HG2 -1.3819 1.5471 0.2287 H 1 GLU1 0.2000 16 HXT 3.2161 -1.9532 0.5224 H 1 GLU1 0.3608 17 H1 1.9172 2.4321 0.0830 H 1 GLU1 0.2635 18 H2 1.1101 1.8391 -1.2158 H 1 GLU1 0.2662 @BOND 1 18 1 1 2 12 5 1 3 8 7 ar 4 4 3 2 5 1 17 1 6 1 2 1 7 7 9 ar 8 7 6 1 9 5 13 1 10 5 2 1 11 5 6 1 12 3 2 1 13 3 10 1 14 15 6 1 15 2 11 1 16 6 14 1 17 16 10 1