@MOLECULE (2s)-2-amino-4-(1-piperidinyl)pentanedioic acid 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6216 -2.1404 -1.3263 O.3 1 UNL111111111 -0.5683 2 O 0.2809 -2.4954 0.6762 O.2 1 UNL111111111 -0.4987 3 O 2.5779 0.2117 -1.7001 O.3 1 UNL111111111 -0.5689 4 OXT 3.6083 1.7658 -0.4762 O.2 1 UNL111111111 -0.5080 5 N -1.2864 0.4702 0.0316 N.3 1 UNL111111111 -0.4175 6 N 3.2423 0.2032 1.8585 N.3 1 UNL111111111 -0.6208 7 C 0.0182 -0.1865 -0.1614 C.3 1 UNL111111111 -0.0223 8 C -2.0507 -0.0904 1.1738 C.3 1 UNL111111111 -0.1102 9 C -2.0943 0.4536 -1.2147 C.3 1 UNL111111111 -0.1046 10 C -3.3005 0.7741 1.4187 C.3 1 UNL111111111 -0.2725 11 C -3.3483 1.3237 -1.0165 C.3 1 UNL111111111 -0.2748 12 C -4.1779 0.8050 0.1628 C.3 1 UNL111111111 -0.2640 13 C 0.9758 0.2757 0.9521 C.3 1 UNL111111111 -0.2948 14 CA 2.4462 -0.0712 0.6572 C.3 1 UNL111111111 0.0033 15 C -0.0621 -1.7108 -0.1655 C.2 1 UNL111111111 0.5875 16 C 2.9476 0.7633 -0.5188 C.2 1 UNL111111111 0.5781 17 H 0.4233 0.1400 -1.1657 H 1 UNL111111111 0.1916 18 H -1.4033 -0.0712 2.0778 H 1 UNL111111111 0.1427 19 H -2.3493 -1.1481 1.0076 H 1 UNL111111111 0.1196 20 H -2.3846 -0.5758 -1.5199 H 1 UNL111111111 0.1317 21 H -1.4763 0.8748 -2.0377 H 1 UNL111111111 0.1377 22 H -2.9910 1.8035 1.6866 H 1 UNL111111111 0.1517 23 H -3.8644 0.3808 2.2823 H 1 UNL111111111 0.1340 24 H -3.9470 1.3318 -1.9438 H 1 UNL111111111 0.1330 25 H -3.0438 2.3722 -0.8292 H 1 UNL111111111 0.1510 26 H -4.5722 -0.2039 -0.0575 H 1 UNL111111111 0.1361 27 H -5.0605 1.4495 0.3254 H 1 UNL111111111 0.1339 28 H 0.8470 1.3675 1.1103 H 1 UNL111111111 0.1769 29 H 0.7019 -0.1956 1.9245 H 1 UNL111111111 0.1885 30 HA 2.5349 -1.1680 0.4116 H 1 UNL111111111 0.1885 31 H1 3.2595 1.1843 2.0964 H 1 UNL111111111 0.2659 32 H2 4.1873 -0.1367 1.7828 H 1 UNL111111111 0.2607 33 H -0.6873 -3.1234 -1.4006 H 1 UNL111111111 0.3537 34 H 2.8864 0.7122 -2.4957 H 1 UNL111111111 0.3595 @BOND 1 1 15 1 2 1 33 1 3 2 15 2 4 3 16 1 5 3 34 1 6 4 16 2 7 5 7 1 8 5 8 1 9 5 9 1 10 6 14 1 11 6 31 1 12 6 32 1 13 7 13 1 14 7 15 1 15 7 17 1 16 8 10 1 17 8 18 1 18 8 19 1 19 9 11 1 20 9 20 1 21 9 21 1 22 10 12 1 23 10 22 1 24 10 23 1 25 11 12 1 26 11 24 1 27 11 25 1 28 12 26 1 29 12 27 1 30 13 14 1 31 13 28 1 32 13 29 1 33 14 16 1 34 14 30 1