@MOLECULE 3-amino-5-[(1-carboxypropyl)amino]-5-oxopentanoic acid 32 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3081 1.3183 0.8748 O.2 1 UNL1111 -0.5489 2 O 3.6374 -0.0526 -1.3480 O.3 1 UNL1111 -0.5734 3 O -4.0661 0.8445 -0.7385 O.3 1 UNL1111 -0.5727 4 OXT 4.6046 1.0461 0.3312 O.2 1 UNL1111 -0.4836 5 O -4.7855 0.1786 1.2576 O.2 1 UNL1111 -0.5019 6 N 1.1899 0.3394 -0.4901 N.am 1 UNL1111 -0.6059 7 N -1.0613 -1.9202 -1.0303 N.3 1 UNL1111 -0.6766 8 C -1.9577 -0.7541 -0.9332 C.3 1 UNL1111 0.1187 9 C -1.1493 0.5272 -1.2335 C.3 1 UNL1111 -0.3873 10 CA 2.2411 0.4825 0.5148 C.3 1 UNL1111 0.0260 11 C -2.6697 -0.6629 0.4396 C.3 1 UNL1111 -0.4304 12 C 2.2418 -0.6740 1.5403 C.3 1 UNL1111 -0.2816 13 C -0.0874 0.7760 -0.1910 C.2 1 UNL1111 0.5931 14 C 2.5061 -2.0363 0.9113 C.3 1 UNL1111 -0.4400 15 C 3.6136 0.5526 -0.1324 C.2 1 UNL1111 0.6119 16 C -3.9325 0.1289 0.4116 C.2 1 UNL1111 0.6591 17 H -2.7347 -0.8772 -1.7408 H 1 UNL1111 0.1668 18 H -0.7233 0.4609 -2.2553 H 1 UNL1111 0.1777 19 H -1.8440 1.3999 -1.2531 H 1 UNL1111 0.2018 20 HA 2.0709 1.4566 1.0759 H 1 UNL1111 0.2016 21 H -2.8956 -1.6780 0.8319 H 1 UNL1111 0.1813 22 H -1.9929 -0.2066 1.2064 H 1 UNL1111 0.2146 23 H 1.2623 -0.6749 2.0641 H 1 UNL1111 0.1640 24 H 2.9975 -0.4626 2.3257 H 1 UNL1111 0.1624 25 H 1.4113 -0.1770 -1.3301 H 1 UNL1111 0.3357 26 H -1.5168 -2.7898 -0.8154 H 1 UNL1111 0.2621 27 H -0.2301 -1.8160 -0.4748 H 1 UNL1111 0.2564 28 H 1.7682 -2.2856 0.1412 H 1 UNL1111 0.1411 29 H 2.4743 -2.8322 1.6662 H 1 UNL1111 0.1513 30 H 3.4938 -2.0817 0.4339 H 1 UNL1111 0.1548 31 H 4.5216 -0.0212 -1.7910 H 1 UNL1111 0.3631 32 H -4.8868 1.3966 -0.7619 H 1 UNL1111 0.3588 @BOND 1 1 13 2 2 2 15 1 3 2 31 1 4 3 16 1 5 3 32 1 6 4 15 2 7 5 16 2 8 6 10 1 9 6 13 am 10 6 25 1 11 7 8 1 12 7 26 1 13 7 27 1 14 8 9 1 15 8 11 1 16 8 17 1 17 9 13 1 18 9 18 1 19 9 19 1 20 10 12 1 21 10 15 1 22 10 20 1 23 11 16 1 24 11 21 1 25 11 22 1 26 12 14 1 27 12 23 1 28 12 24 1 29 14 28 1 30 14 29 1 31 14 30 1