@MOLECULE 2,2'-{1,2-propanediylbis[(2-amino-2-oxoethyl)imino]}diacetic acid 41 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2113 2.5534 0.4205 O.3 1 UNL11111111 -0.5984 2 O -2.3701 -2.4034 -1.3579 O.2 1 UNL11111111 -0.4704 3 O 2.7257 3.4147 -0.8471 O.3 1 UNL11111111 -0.5950 4 O -3.7559 1.3341 -1.3877 O.2 1 UNL11111111 -0.4421 5 O 3.7748 -1.3751 1.1824 O.2 1 UNL11111111 -0.4671 6 O 2.4547 2.4476 1.1413 O.2 1 UNL11111111 -0.4520 7 N -1.8477 -0.0914 0.1994 N.3 1 UNL11111111 -0.4164 8 N 1.8477 0.0438 -0.3095 N.3 1 UNL11111111 -0.3852 9 N -2.8521 -3.5722 0.4999 N.am 1 UNL11111111 -0.7267 10 N 4.3909 -2.5266 -0.6385 N.am 1 UNL11111111 -0.7258 11 C -0.4339 -0.3913 0.5394 C.3 1 UNL11111111 0.0810 12 C 0.4145 0.3066 -0.5713 C.3 1 UNL11111111 -0.1367 13 C 0.0194 0.0335 1.9365 C.3 1 UNL11111111 -0.4955 14 C -2.7802 -1.1257 0.6838 C.3 1 UNL11111111 -0.1963 15 C -2.2853 1.2550 0.6020 C.3 1 UNL11111111 -0.1732 16 C 2.2566 -1.3069 -0.7294 C.3 1 UNL11111111 -0.2012 17 C 2.7052 1.0838 -0.9108 C.3 1 UNL11111111 -0.1828 18 C -2.6294 -2.3786 -0.1797 C.2 1 UNL11111111 0.5813 19 C -3.4502 1.6560 -0.2779 C.2 1 UNL11111111 0.6184 20 C 3.5128 -1.6961 0.0494 C.2 1 UNL11111111 0.5761 21 C 2.6032 2.3183 -0.0385 C.2 1 UNL11111111 0.6315 22 H -0.3011 -1.5014 0.4377 H 1 UNL11111111 0.1377 23 H 0.2360 1.4021 -0.5371 H 1 UNL11111111 0.1450 24 H 0.0652 -0.0339 -1.5695 H 1 UNL11111111 0.1512 25 H 1.0495 -0.3276 2.1189 H 1 UNL11111111 0.1954 26 H -0.6200 -0.3676 2.7254 H 1 UNL11111111 0.1368 27 H 0.0894 1.1215 2.0499 H 1 UNL11111111 0.1618 28 H -3.8307 -0.7704 0.5457 H 1 UNL11111111 0.1736 29 H -2.6535 -1.3516 1.7650 H 1 UNL11111111 0.1369 30 H -2.5607 1.3468 1.6797 H 1 UNL11111111 0.1636 31 H -1.4580 1.9906 0.4335 H 1 UNL11111111 0.1820 32 H 1.4546 -2.0360 -0.4500 H 1 UNL11111111 0.1776 33 H 2.3953 -1.4056 -1.8272 H 1 UNL11111111 0.1395 34 H 2.4540 1.3275 -1.9708 H 1 UNL11111111 0.1616 35 H 3.7728 0.7497 -0.9014 H 1 UNL11111111 0.1800 36 H -2.8218 -4.4383 -0.0003 H 1 UNL11111111 0.3108 37 H -3.0777 -3.6213 1.4658 H 1 UNL11111111 0.3003 38 H 5.2144 -2.8618 -0.1796 H 1 UNL11111111 0.3107 39 H 4.2342 -2.8538 -1.5621 H 1 UNL11111111 0.2992 40 H -4.9808 2.9120 -0.0786 H 1 UNL11111111 0.3566 41 H 2.6963 4.2756 -0.3686 H 1 UNL11111111 0.3561 @BOND 1 1 19 1 2 1 40 1 3 2 18 2 4 3 21 1 5 3 41 1 6 4 19 2 7 5 20 2 8 6 21 2 9 7 11 1 10 7 14 1 11 7 15 1 12 8 12 1 13 8 16 1 14 8 17 1 15 9 18 am 16 9 36 1 17 9 37 1 18 10 20 am 19 10 38 1 20 10 39 1 21 11 12 1 22 11 13 1 23 11 22 1 24 12 23 1 25 12 24 1 26 13 25 1 27 13 26 1 28 13 27 1 29 14 18 1 30 14 28 1 31 14 29 1 32 15 19 1 33 15 30 1 34 15 31 1 35 16 20 1 36 16 32 1 37 16 33 1 38 17 21 1 39 17 34 1 40 17 35 1