@MOLECULE (2e)-4-amino-4-methyl-2-pentenedioic acid 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2467 0.4831 0.1624 O.3 1 UNL1111111111 -0.5792 2 O -1.5948 1.7641 -0.6170 O.2 1 UNL1111111111 -0.4673 3 O 3.6271 -0.2154 -0.8048 O.3 1 UNL1111111111 -0.5575 4 O 2.9723 0.7401 1.0993 O.2 1 UNL1111111111 -0.5001 5 N -1.6182 -1.3418 1.2370 N.3 1 UNL1111111111 -0.6268 6 C -1.1216 -0.5642 0.0917 C.3 1 UNL1111111111 0.1684 7 C -1.2227 -1.4112 -1.1817 C.3 1 UNL1111111111 -0.4626 8 C 0.2831 -0.1158 0.4340 C.2 1 UNL1111111111 -0.0474 9 C -1.9506 0.7096 -0.1751 C.2 1 UNL1111111111 0.5601 10 C 1.3512 -0.3275 -0.3396 C.2 1 UNL1111111111 -0.2578 11 C 2.6735 0.1366 0.1006 C.2 1 UNL1111111111 0.6434 12 H -2.2598 -1.6987 -1.3986 H 1 UNL1111111111 0.1623 13 H -0.6488 -2.3443 -1.0708 H 1 UNL1111111111 0.1792 14 H -0.8379 -0.8787 -2.0607 H 1 UNL1111111111 0.1665 15 H 0.3731 0.3981 1.3999 H 1 UNL1111111111 0.1765 16 H -2.4956 -1.7992 1.0387 H 1 UNL1111111111 0.2707 17 H -1.7173 -0.7893 2.0738 H 1 UNL1111111111 0.2636 18 H 1.3279 -0.8357 -1.3042 H 1 UNL1111111111 0.1899 19 H -3.8481 1.2473 -0.0193 H 1 UNL1111111111 0.3630 20 H 4.5349 0.0872 -0.5547 H 1 UNL1111111111 0.3551 @BOND 1 1 9 1 2 1 19 1 3 2 9 2 4 3 11 1 5 3 20 1 6 4 11 2 7 5 6 1 8 5 16 1 9 5 17 1 10 6 7 1 11 6 8 1 12 6 9 1 13 7 12 1 14 7 13 1 15 7 14 1 16 8 10 2 17 8 15 1 18 10 11 1 19 10 18 1