@MOLECULE cis-1-amino-1,3-cyclobutanedicarboxylic acid 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8572 1.0171 -0.3090 O.3 1 UNL1111111111 -0.5675 2 O 2.8961 1.1235 -0.4220 O.3 1 UNL1111111111 -0.5622 3 O -2.7065 -1.1858 -0.6162 O.2 1 UNL1111111111 -0.4864 4 O 3.0995 -0.9443 0.3798 O.2 1 UNL1111111111 -0.5009 5 N -0.9405 0.4521 1.8079 N.3 1 UNL1111111111 -0.6350 6 C -0.8417 0.0406 0.4222 C.3 1 UNL1111111111 0.1332 7 C 1.0279 -0.2669 -0.7003 C.3 1 UNL1111111111 -0.1922 8 C 0.0970 0.9469 -0.4366 C.3 1 UNL1111111111 -0.2584 9 C 0.1206 -1.1648 0.1842 C.3 1 UNL1111111111 -0.2696 10 C -2.2008 -0.1686 -0.2293 C.2 1 UNL1111111111 0.5672 11 C 2.4156 -0.1240 -0.1715 C.2 1 UNL1111111111 0.6418 12 H 1.0654 -0.5759 -1.7641 H 1 UNL1111111111 0.1791 13 H 0.5640 1.7628 0.1340 H 1 UNL1111111111 0.1828 14 H -0.3609 1.3846 -1.3273 H 1 UNL1111111111 0.1595 15 H -0.3274 -2.0212 -0.3321 H 1 UNL1111111111 0.1714 16 H 0.6042 -1.5362 1.0991 H 1 UNL1111111111 0.1821 17 H -1.3571 -0.2453 2.4040 H 1 UNL1111111111 0.2683 18 H -1.4061 1.3406 1.9221 H 1 UNL1111111111 0.2747 19 H -3.7549 0.9540 -0.7170 H 1 UNL1111111111 0.3579 20 H 3.8158 1.2658 -0.0896 H 1 UNL1111111111 0.3542 @BOND 1 1 10 1 2 1 19 1 3 2 11 1 4 2 20 1 5 3 10 2 6 4 11 2 7 5 6 1 8 5 17 1 9 5 18 1 10 6 8 1 11 6 9 1 12 6 10 1 13 7 8 1 14 7 9 1 15 7 11 1 16 7 12 1 17 8 13 1 18 8 14 1 19 9 15 1 20 9 16 1