@MOLECULE d-aspartatic acid 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 HA 0.2680 0.1689 1.4591 H 1 ASP1111111111 0.1704 2 CA 0.4549 -0.1851 0.4026 C.3 1 ASP1111111111 0.0236 3 C 1.8460 0.3222 0.0106 C.2 1 ASP1111111111 0.5657 4 O 2.1868 1.4600 -0.1594 O.2 1 ASP1111111111 -0.4862 5 OXT 2.7134 -0.7092 -0.1178 O.3 1 ASP1111111111 -0.5652 6 HXT 3.6335 -0.4311 -0.3609 H 1 ASP1111111111 0.3662 7 CB -0.5449 0.4628 -0.5676 C.3 1 ASP1111111111 -0.4207 8 CG -1.9747 0.1551 -0.1919 C.2 1 ASP1111111111 0.6505 9 HB1 -0.3910 1.5649 -0.6132 H 1 ASP1111111111 0.1952 10 N 0.2992 -1.6385 0.3998 N.3 1 ASP1111111111 -0.6144 11 H1 0.9715 -2.1014 0.9957 H 1 ASP1111111111 0.2717 12 H2 0.3483 -2.0382 -0.5253 H 1 ASP1111111111 0.2679 13 OD1 -2.3983 0.6336 1.0106 O.3 1 ASP1111111111 -0.5361 14 OD2 -2.7732 -0.4109 -0.8809 O.2 1 ASP1111111111 -0.4187 15 HB2 -0.3687 0.1064 -1.6087 H 1 ASP1111111111 0.1940 16 HD1 -1.7074 1.0493 1.5660 H 1 ASP1111111111 0.3360 @BOND 1 1 2 1 2 2 3 1 3 2 7 1 4 2 10 1 5 3 4 2 6 3 5 1 7 5 6 1 8 7 9 1 9 10 11 1 10 10 12 1 11 7 8 1 12 8 13 1 13 8 14 2 14 7 15 1 15 13 16 1