@MOLECULE (2r)-2-aminooctanedioic acid 28 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8644 1.8797 0.4581 O.3 1 UNL1111111111 -0.5517 2 OXT 3.6739 0.6943 -1.2506 O.2 1 UNL1111111111 -0.5198 3 O -4.8709 -0.0402 0.7532 O.3 1 UNL1111111111 -0.5762 4 O -3.4523 1.4945 -0.0105 O.2 1 UNL1111111111 -0.5036 5 N 3.4542 -1.7210 0.2005 N.3 1 UNL1111111111 -0.6241 6 C 0.5656 -0.5389 -0.1978 C.3 1 UNL1111111111 -0.2722 7 C -0.9149 -0.7053 0.1673 C.3 1 UNL1111111111 -0.2710 8 C 1.4313 -0.5754 1.0663 C.3 1 UNL1111111111 -0.2802 9 C -1.7878 -0.6234 -1.0912 C.3 1 UNL1111111111 -0.2539 10 CA 2.9398 -0.4721 0.7743 C.3 1 UNL1111111111 -0.0038 11 C -3.2682 -0.8275 -0.7576 C.3 1 UNL1111111111 -0.3477 12 C 3.2054 0.7168 -0.1432 C.2 1 UNL1111111111 0.5813 13 C -3.8091 0.3470 -0.0075 C.2 1 UNL1111111111 0.6482 14 H 0.7119 0.4192 -0.7356 H 1 UNL1111111111 0.1475 15 H 0.8701 -1.3352 -0.9021 H 1 UNL1111111111 0.1373 16 H -1.2167 0.0836 0.8853 H 1 UNL1111111111 0.1503 17 H -1.0738 -1.6693 0.6848 H 1 UNL1111111111 0.1381 18 H 1.2450 -1.5149 1.6279 H 1 UNL1111111111 0.1638 19 H 1.1384 0.2533 1.7439 H 1 UNL1111111111 0.1604 20 H -1.6442 0.3614 -1.5846 H 1 UNL1111111111 0.1613 21 H -1.4650 -1.3835 -1.8287 H 1 UNL1111111111 0.1440 22 HA 3.4883 -0.2968 1.7450 H 1 UNL1111111111 0.1767 23 H -3.8626 -0.9634 -1.6886 H 1 UNL1111111111 0.1785 24 H -3.4200 -1.7654 -0.1793 H 1 UNL1111111111 0.1823 25 H1 4.4254 -1.6474 -0.0675 H 1 UNL1111111111 0.2630 26 H2 2.9224 -2.0242 -0.6013 H 1 UNL1111111111 0.2592 27 H 3.0191 2.6817 -0.1016 H 1 UNL1111111111 0.3570 28 H -5.2868 0.6960 1.2627 H 1 UNL1111111111 0.3554 @BOND 1 1 12 1 2 1 27 1 3 2 12 2 4 3 13 1 5 3 28 1 6 4 13 2 7 5 10 1 8 5 25 1 9 5 26 1 10 6 7 1 11 6 8 1 12 6 14 1 13 6 15 1 14 7 9 1 15 7 16 1 16 7 17 1 17 8 10 1 18 8 18 1 19 8 19 1 20 9 11 1 21 9 20 1 22 9 21 1 23 10 12 1 24 10 22 1 25 11 13 1 26 11 23 1 27 11 24 1