@MOLECULE 2-amino-6-hydroxyheptanedioic acid 26 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7761 1.6321 0.9491 O.3 1 UNL1111111111 -0.4313 2 O 3.8010 1.3759 0.0281 O.3 1 UNL1111111111 -0.4836 3 O -3.6806 -1.0268 -1.1596 O.3 1 UNL1111111111 -0.4394 4 OXT 4.4172 -0.7296 -0.3787 O.2 1 UNL1111111111 -0.3229 5 O -3.1267 -1.1323 1.0026 O.2 1 UNL1111111111 -0.2708 6 N 1.9558 -1.7401 0.5319 N.3 1 UNL1111111111 -1.0564 7 C -0.2718 0.2573 0.0953 C.3 1 UNL1111111111 -0.2059 8 C 1.1440 0.3694 -0.4818 C.3 1 UNL1111111111 -0.5776 9 C -1.2848 0.9250 -0.8381 C.3 1 UNL1111111111 -0.6081 10 CA 2.1615 -0.2899 0.4691 C.3 1 UNL1111111111 0.2903 11 C -2.7028 0.9247 -0.2577 C.3 1 UNL1111111111 0.0814 12 C 3.5712 0.0420 -0.0140 C.2 1 UNL1111111111 0.1688 13 C -3.1736 -0.5016 -0.0182 C.2 1 UNL1111111111 0.1428 14 H -0.5246 -0.8125 0.2592 H 1 UNL1111111111 0.2504 15 H -0.3051 0.7262 1.0976 H 1 UNL1111111111 0.1479 16 H 1.1870 -0.1036 -1.4814 H 1 UNL1111111111 0.2384 17 H 1.4129 1.4359 -0.6312 H 1 UNL1111111111 0.2470 18 H -1.2884 0.4258 -1.8279 H 1 UNL1111111111 0.2487 19 H -0.9843 1.9774 -1.0271 H 1 UNL1111111111 0.2120 20 HA 2.0352 0.1257 1.5092 H 1 UNL1111111111 0.2063 21 H -3.4191 1.4792 -0.9153 H 1 UNL1111111111 0.2217 22 H1 2.6432 -2.2017 1.1110 H 1 UNL1111111111 0.4318 23 H2 1.9577 -2.1715 -0.3798 H 1 UNL1111111111 0.4266 24 H -2.3021 1.1535 1.6707 H 1 UNL1111111111 0.3545 25 H 4.7109 1.6342 -0.2649 H 1 UNL1111111111 0.3601 26 H -4.0030 -1.9576 -1.0644 H 1 UNL1111111111 0.3674 @BOND 1 1 11 1 2 1 24 1 3 2 12 1 4 2 25 1 5 3 13 1 6 3 26 1 7 4 12 2 8 5 13 2 9 6 10 1 10 6 22 1 11 6 23 1 12 7 8 1 13 7 9 1 14 7 14 1 15 7 15 1 16 8 10 1 17 8 16 1 18 8 17 1 19 9 11 1 20 9 18 1 21 9 19 1 22 10 12 1 23 10 20 1 24 11 13 1 25 11 21 1