@MOLECULE b-glutamic acid 19 18 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.8217 -0.5993 1.0150 O.3 1 UNL1111111 -0.5588 2 O 2.0653 -1.8665 -0.1536 O.3 1 UNL1111111 -0.5518 3 O -2.1165 -0.6302 -1.0972 O.2 1 UNL1111111 -0.5237 4 O 2.2315 0.0119 1.0264 O.2 1 UNL1111111 -0.5348 5 N 0.7993 2.3011 -0.0252 N.3 1 UNL1111111 -0.6546 6 C 0.0329 1.1615 -0.5524 C.3 1 UNL1111111 0.1112 7 C -0.9435 0.7156 0.5570 C.3 1 UNL1111111 -0.3843 8 C 0.9150 -0.0244 -1.0238 C.3 1 UNL1111111 -0.4327 9 C -1.9742 -0.2175 0.0251 C.2 1 UNL1111111 0.6520 10 C 1.7831 -0.5585 0.0631 C.2 1 UNL1111111 0.6581 11 H -0.5611 1.5217 -1.4385 H 1 UNL1111111 0.1598 12 H -1.4331 1.6187 1.0006 H 1 UNL1111111 0.2114 13 H -0.4015 0.2631 1.4173 H 1 UNL1111111 0.1977 14 H 1.5488 0.2866 -1.8819 H 1 UNL1111111 0.1864 15 H 0.2635 -0.8305 -1.4443 H 1 UNL1111111 0.2154 16 H 1.3445 2.7611 -0.7350 H 1 UNL1111111 0.2550 17 H 1.4114 2.0188 0.7307 H 1 UNL1111111 0.2777 18 H -3.5280 -1.2230 0.7139 H 1 UNL1111111 0.3572 19 H 2.6527 -2.2689 0.5351 H 1 UNL1111111 0.3586 @BOND 1 14 8 1 2 15 8 1 3 11 6 1 4 3 9 2 5 8 6 1 6 8 10 1 7 16 5 1 8 6 5 1 9 6 7 1 10 2 10 1 11 2 19 1 12 5 17 1 13 9 7 1 14 9 1 1 15 10 4 2 16 7 12 1 17 7 13 1 18 18 1 1