@MOLECULE (4r)-4-amino-5-oxopentanoic acid 18 17 0 0 0 SMALL GASTEIGER @ATOM 1 OE1 3.3635 0.6930 0.1271 O.3 1 GLU1111111111 -0.4943 2 O -3.6171 -0.4597 -0.2617 O.2 1 GLU1111111111 -0.2919 3 OE2 2.4955 -1.2833 -0.4200 O.2 1 GLU1111111111 -0.3314 4 N -1.6571 1.4318 -0.4822 N.3 1 GLU1111111111 -1.0167 5 CB -0.1441 -0.4274 0.1206 C.3 1 GLU1111111111 -0.6367 6 CA -1.4699 0.2910 0.4307 C.3 1 GLU1111111111 0.2143 7 CG 1.0365 0.5256 0.3159 C.3 1 GLU1111111111 -0.0573 8 C -2.6160 -0.7210 0.3547 C.2 1 GLU1111111111 0.0169 9 CD 2.3142 -0.1567 -0.0394 C.2 1 GLU1111111111 0.2602 10 HB1 -0.1450 -0.8171 -0.9191 H 1 GLU1111111111 0.2620 11 HB2 -0.0250 -1.3185 0.7690 H 1 GLU1111111111 0.2418 12 HA -1.4390 0.7021 1.4782 H 1 GLU1111111111 0.1617 13 HG1 1.0810 0.9120 1.3569 H 1 GLU1111111111 0.1699 14 HG2 0.9003 1.4453 -0.3070 H 1 GLU1111111111 0.1799 15 H1 -2.5287 1.9106 -0.2975 H 1 GLU1111111111 0.3850 16 H2 -1.6655 1.1375 -1.4486 H 1 GLU1111111111 0.3989 17 H -2.4973 -1.6732 0.8815 H 1 GLU1111111111 0.1768 18 HE1 4.2381 0.2945 -0.1016 H 1 GLU1111111111 0.3610 @BOND 1 1 9 1 2 1 18 1 3 2 8 2 4 3 9 2 5 4 6 1 6 4 15 1 7 4 16 1 8 5 6 1 9 5 7 1 10 5 10 1 11 5 11 1 12 6 8 1 13 6 12 1 14 7 9 1 15 7 13 1 16 7 14 1 17 8 17 1