@MOLECULE (1r,3r)-1-amino-1,3-cyclohexanedicarboxylic acid 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0536 1.7871 -0.0580 O.3 1 UNL1111 -0.5451 2 O 2.5949 0.9437 0.8775 O.3 1 UNL1111 -0.5691 3 O -1.9443 1.4290 -1.1833 O.2 1 UNL1111 -0.5112 4 O 1.9406 0.4853 -1.2006 O.2 1 UNL1111 -0.5196 5 N -2.4400 0.0719 1.3864 N.3 1 UNL1111 -0.6610 6 C -1.2771 -0.1953 0.5114 C.3 1 UNL1111 0.1583 7 C -0.0520 -0.4312 1.4150 C.3 1 UNL1111 -0.2746 8 C 1.2009 -0.9257 0.6793 C.3 1 UNL1111 -0.1728 9 C -1.5162 -1.3847 -0.4472 C.3 1 UNL1111 -0.3296 10 C 0.8993 -2.0612 -0.3070 C.3 1 UNL1111 -0.2656 11 C -0.2541 -1.7041 -1.2472 C.3 1 UNL1111 -0.2633 12 C -1.1603 1.0681 -0.3459 C.2 1 UNL1111 0.6276 13 C 1.8891 0.2139 -0.0303 C.2 1 UNL1111 0.6594 14 H -0.3202 -1.1693 2.1985 H 1 UNL1111 0.1509 15 H 0.1797 0.5083 1.9694 H 1 UNL1111 0.1871 16 H 1.9174 -1.3124 1.4580 H 1 UNL1111 0.1718 17 H -2.3542 -1.1544 -1.1362 H 1 UNL1111 0.1614 18 H -1.8313 -2.2705 0.1344 H 1 UNL1111 0.1462 19 H 0.6567 -2.9825 0.2570 H 1 UNL1111 0.1416 20 H 1.8053 -2.2970 -0.9011 H 1 UNL1111 0.1512 21 H 0.0311 -0.8408 -1.8873 H 1 UNL1111 0.1701 22 H -0.4465 -2.5362 -1.9504 H 1 UNL1111 0.1429 23 H -2.6377 -0.6943 2.0073 H 1 UNL1111 0.2602 24 H -3.2718 0.3064 0.8627 H 1 UNL1111 0.2710 25 H 0.0732 2.5693 -0.6553 H 1 UNL1111 0.3598 26 H 3.0452 1.7304 0.4889 H 1 UNL1111 0.3523 @BOND 1 1 12 1 2 1 25 1 3 2 13 1 4 2 26 1 5 3 12 2 6 4 13 2 7 5 6 1 8 5 23 1 9 5 24 1 10 6 7 1 11 6 9 1 12 6 12 1 13 7 8 1 14 7 14 1 15 7 15 1 16 8 10 1 17 8 13 1 18 8 16 1 19 9 11 1 20 9 17 1 21 9 18 1 22 10 11 1 23 10 19 1 24 10 20 1 25 11 21 1 26 11 22 1