@MOLECULE 3,3'-(1,4-butanediyldiimino)dipropanoic acid 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.8404 -0.7747 0.0966 O.3 1 UNL1111111111 -0.5659 2 O 7.8255 0.8050 -0.1575 O.3 1 UNL1111111111 -0.5662 3 O -6.9820 1.2759 -0.0498 O.2 1 UNL1111111111 -0.5101 4 O 6.9938 -1.2595 -0.0587 O.2 1 UNL1111111111 -0.5105 5 N -3.0767 -0.4647 -0.0841 N.3 1 UNL1111111111 -0.5493 6 N 3.0783 0.4447 0.1676 N.3 1 UNL1111111111 -0.5512 7 C -0.6194 -0.4412 -0.0819 C.3 1 UNL1111111111 -0.2916 8 C 0.6230 0.4255 0.1305 C.3 1 UNL1111111111 -0.2906 9 C -1.8911 0.4211 0.0038 C.3 1 UNL1111111111 -0.1048 10 C 1.8942 -0.4374 0.0413 C.3 1 UNL1111111111 -0.1038 11 C -4.3301 0.3182 -0.1479 C.3 1 UNL1111111111 -0.0945 12 C 4.3368 -0.3322 0.1945 C.3 1 UNL1111111111 -0.0932 13 C -5.5070 -0.6622 -0.0050 C.3 1 UNL1111111111 -0.3627 14 C 5.4987 0.6619 0.0231 C.3 1 UNL1111111111 -0.3625 15 C -6.7939 0.0894 0.0078 C.2 1 UNL1111111111 0.6473 16 C 6.7915 -0.0740 -0.0640 C.2 1 UNL1111111111 0.6475 17 H -0.5679 -0.9532 -1.0609 H 1 UNL1111111111 0.1388 18 H -0.6686 -1.2451 0.6793 H 1 UNL1111111111 0.1562 19 H 0.5724 0.9360 1.1101 H 1 UNL1111111111 0.1391 20 H 0.6716 1.2311 -0.6292 H 1 UNL1111111111 0.1562 21 H -1.9316 0.9435 0.9861 H 1 UNL1111111111 0.1451 22 H -1.8779 1.2052 -0.7830 H 1 UNL1111111111 0.1151 23 H 1.9462 -0.9348 -0.9533 H 1 UNL1111111111 0.1447 24 H 1.8691 -1.2410 0.8079 H 1 UNL1111111111 0.1148 25 H -3.0012 -1.0935 -0.8816 H 1 UNL1111111111 0.2522 26 H 3.0019 1.0411 0.9892 H 1 UNL1111111111 0.2528 27 H -4.4325 0.9127 -1.0817 H 1 UNL1111111111 0.1262 28 H -4.3439 1.0479 0.6947 H 1 UNL1111111111 0.1570 29 H 4.3357 -1.0587 -0.6508 H 1 UNL1111111111 0.1570 30 H 4.4689 -0.9288 1.1228 H 1 UNL1111111111 0.1255 31 H -5.3930 -1.2593 0.9309 H 1 UNL1111111111 0.2016 32 H -5.5057 -1.4194 -0.8175 H 1 UNL1111111111 0.1825 33 H 5.5246 1.4021 0.8506 H 1 UNL1111111111 0.1826 34 H 5.3381 1.2778 -0.8939 H 1 UNL1111111111 0.2021 35 H -8.7224 -0.3293 0.1117 H 1 UNL1111111111 0.3563 36 H 8.7107 0.3707 -0.2215 H 1 UNL1111111111 0.3561 @BOND 1 1 15 1 2 1 35 1 3 2 16 1 4 2 36 1 5 3 15 2 6 4 16 2 7 5 9 1 8 5 11 1 9 5 25 1 10 6 10 1 11 6 12 1 12 6 26 1 13 7 8 1 14 7 9 1 15 7 17 1 16 7 18 1 17 8 10 1 18 8 19 1 19 8 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 11 13 1 25 11 27 1 26 11 28 1 27 12 14 1 28 12 29 1 29 12 30 1 30 13 15 1 31 13 31 1 32 13 32 1 33 14 16 1 34 14 33 1 35 14 34 1