@MOLECULE 2-amino-4-(4-amino-cyclohexa-2,5-dienyl)-butyric acid 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8151 1.7881 0.3639 O.3 1 UNL1111111111 -0.5576 2 OXT 3.6763 0.0804 -0.7862 O.2 1 UNL1111111111 -0.5182 3 N 2.4134 -1.7625 1.0119 N.3 1 UNL1111111111 -0.6212 4 N -3.0339 0.5873 1.8600 N.3 1 UNL1111111111 -0.6396 5 C -1.0834 -0.4336 -1.4658 C.3 1 UNL1111111111 -0.1208 6 C 0.3971 -0.5443 -1.0322 C.3 1 UNL1111111111 -0.2687 7 C 0.5630 -0.2155 0.4557 C.3 1 UNL1111111111 -0.2851 8 CA 2.0095 -0.3554 0.9638 C.3 1 UNL1111111111 -0.0005 9 C -1.9076 -1.4335 -0.7118 C.2 1 UNL1111111111 -0.1612 10 C -1.5586 0.9775 -1.2883 C.2 1 UNL1111111111 -0.1308 11 C -3.2724 0.3318 0.4155 C.3 1 UNL1111111111 0.0511 12 C -2.8823 -1.0952 0.1332 C.2 1 UNL1111111111 -0.1747 13 C -2.5405 1.3233 -0.4543 C.2 1 UNL1111111111 -0.2438 14 C 2.9266 0.4715 0.0684 C.2 1 UNL1111111111 0.5834 15 H -1.1470 -0.6850 -2.5616 H 1 UNL1111111111 0.1567 16 H 1.0148 0.1334 -1.6525 H 1 UNL1111111111 0.1470 17 H 0.7609 -1.5677 -1.2447 H 1 UNL1111111111 0.1460 18 H -0.0879 -0.8875 1.0580 H 1 UNL1111111111 0.1741 19 H 0.2057 0.8155 0.6533 H 1 UNL1111111111 0.1567 20 HA 2.0663 0.0525 2.0144 H 1 UNL1111111111 0.1777 21 H -1.6455 -2.4736 -0.8988 H 1 UNL1111111111 0.1478 22 H -1.0370 1.7132 -1.8997 H 1 UNL1111111111 0.1462 23 H -4.3817 0.4428 0.2413 H 1 UNL1111111111 0.1537 24 H -3.4588 -1.8327 0.6896 H 1 UNL1111111111 0.1589 25 H -2.8744 2.3520 -0.3507 H 1 UNL1111111111 0.1456 26 H1 3.3544 -1.8845 1.3531 H 1 UNL1111111111 0.2602 27 H2 2.3276 -2.2222 0.1182 H 1 UNL1111111111 0.2624 28 H -3.2517 1.5384 2.1097 H 1 UNL1111111111 0.2480 29 H -2.0745 0.3998 2.1070 H 1 UNL1111111111 0.2508 30 H 3.3802 2.3764 -0.1952 H 1 UNL1111111111 0.3559 @BOND 1 1 14 1 2 1 30 1 3 2 14 2 4 3 8 1 5 3 26 1 6 3 27 1 7 4 11 1 8 4 28 1 9 4 29 1 10 5 6 1 11 5 9 1 12 5 10 1 13 5 15 1 14 6 7 1 15 6 16 1 16 6 17 1 17 7 8 1 18 7 18 1 19 7 19 1 20 8 14 1 21 8 20 1 22 9 12 2 23 9 21 1 24 10 13 2 25 10 22 1 26 11 12 1 27 11 13 1 28 11 23 1 29 12 24 1 30 13 25 1