@MOLECULE (1r,2s,3r)-2-[(s)-amino(carboxy)methyl]-3-(methoxymethyl)cyclopropanecarboxylic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9579 -0.9305 0.5222 O.3 1 UNL1111111111 -0.3665 2 O 2.8635 -1.8662 -0.5907 O.3 1 UNL1111111111 -0.5656 3 O 1.8356 -1.9710 1.3833 O.2 1 UNL1111111111 -0.4875 4 O 0.4475 3.2268 1.0323 O.3 1 UNL1111111111 -0.5663 5 OXT -0.8106 2.7086 -0.7386 O.2 1 UNL1111111111 -0.4842 6 N 2.1495 1.3976 -0.5669 N.3 1 UNL1111111111 -0.6355 7 C 0.1147 0.0343 -0.6518 C.3 1 UNL1111111111 -0.1545 8 C -0.6899 -0.9975 0.1007 C.3 1 UNL1111111111 -0.1409 9 C 0.5801 -1.4163 -0.6170 C.3 1 UNL1111111111 -0.2925 10 CA 0.8672 1.1082 0.1095 C.3 1 UNL1111111111 -0.0126 11 C -2.0331 -1.4401 -0.4332 C.3 1 UNL1111111111 -0.0462 12 C 1.7566 -1.7816 0.1994 C.2 1 UNL1111111111 0.6475 13 C 0.0562 2.4004 0.0290 C.2 1 UNL1111111111 0.6398 14 C -4.2737 -0.8211 0.0161 C.3 1 UNL1111111111 -0.2014 15 H -0.2665 0.4115 -1.6182 H 1 UNL1111111111 0.1990 16 H -0.6798 -0.9778 1.2056 H 1 UNL1111111111 0.1971 17 H 0.5175 -1.9960 -1.5510 H 1 UNL1111111111 0.2006 18 HA 0.9954 0.8258 1.1921 H 1 UNL1111111111 0.1637 19 H -2.1258 -2.5427 -0.4445 H 1 UNL1111111111 0.1300 20 H -2.2419 -1.0432 -1.4420 H 1 UNL1111111111 0.1286 21 H1 2.6084 0.5467 -0.8597 H 1 UNL1111111111 0.2727 22 H2 2.7674 1.9402 0.0176 H 1 UNL1111111111 0.2659 23 H 3.6738 -2.1629 -0.1079 H 1 UNL1111111111 0.3571 24 H -4.8379 -0.4565 0.8850 H 1 UNL1111111111 0.1485 25 H -4.6590 -1.7928 -0.3048 H 1 UNL1111111111 0.1188 26 H -4.3207 -0.0886 -0.7965 H 1 UNL1111111111 0.1268 27 H -0.0160 4.0999 1.0347 H 1 UNL1111111111 0.3573 @BOND 1 1 11 1 2 1 14 1 3 2 12 1 4 2 23 1 5 3 12 2 6 4 13 1 7 4 27 1 8 5 13 2 9 6 10 1 10 6 21 1 11 6 22 1 12 7 8 1 13 7 9 1 14 7 10 1 15 7 15 1 16 8 9 1 17 8 11 1 18 8 16 1 19 9 12 1 20 9 17 1 21 10 13 1 22 10 18 1 23 11 19 1 24 11 20 1 25 14 24 1 26 14 25 1 27 14 26 1