@MOLECULE n-acryloyl-l-aspartic acid 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7568 -2.4395 0.6387 O.3 1 ASP1111111111 -0.5426 2 OD1 2.6365 1.9554 0.9895 O.3 1 ASP1111111111 -0.5652 3 OXT 1.1544 -2.9094 -0.4106 O.2 1 ASP1111111111 -0.4943 4 OD2 2.1496 1.7067 -1.1743 O.2 1 ASP1111111111 -0.4791 5 O -1.7763 0.3237 -1.3488 O.2 0 UNK0 -0.5076 6 N -0.5476 0.1522 0.5400 N.am 1 ASP1 -0.6026 7 CA 0.4961 -0.5722 -0.1668 C.3 1 ASP1 0.0423 8 CB 1.8859 -0.1692 0.3577 C.3 1 ASP1 -0.3756 9 C 0.3707 -2.0871 -0.0189 C.2 1 ASP1 0.5894 10 CG 2.2080 1.2280 -0.0760 C.2 1 ASP1 0.6510 11 C -1.7077 0.5089 -0.1518 C.2 0 UNK0 0.5966 12 C -2.7647 1.1538 0.6592 C.2 0 UNK0 -0.2724 13 C -3.9672 1.3675 0.1229 C.2 0 UNK0 -0.1759 14 HA 0.4198 -0.3378 -1.2824 H 1 ASP1 0.2292 15 HB1 2.6647 -0.8614 -0.0498 H 1 ASP1 0.2087 16 HB2 1.9512 -0.2704 1.4632 H 1 ASP1 0.1895 17 H -0.5279 0.1204 1.5465 H 1 ASP1 0.3148 18 H -2.5091 1.4417 1.6753 H 0 UNK0 0.1627 19 H -0.8899 -3.4206 0.6933 H 1 ASP1 0.3587 20 HD1 2.8723 2.8889 0.7634 H 1 ASP1 0.3573 21 H -4.7851 1.8365 0.6526 H 0 UNK0 0.1463 22 H -4.2154 1.0855 -0.8976 H 0 UNK0 0.1684 @BOND 1 1 9 1 2 1 19 1 3 2 10 1 4 2 20 1 5 3 9 2 6 4 10 2 7 5 11 2 8 6 7 1 9 6 11 am 10 6 17 1 11 7 8 1 12 7 9 1 13 7 14 1 14 8 10 1 15 8 15 1 16 8 16 1 17 11 12 1 18 12 13 2 19 12 18 1 20 13 21 1 21 13 22 1