@MOLECULE ethyl 3-(4-carbamimidoylphenyl)-2-oxopropanoate 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7630 -0.7631 -0.1561 O.3 1 UNL1111111111 -0.4165 2 O -1.2859 0.2093 1.3312 O.2 1 UNL1111111111 -0.3408 3 O -3.7285 1.4972 -0.2359 O.2 1 UNL1111111111 -0.4641 4 N 5.1851 0.7227 1.2556 N.pl3 1 UNL1111111111 -0.7075 5 N 5.5104 -1.0049 -0.3649 N.2 1 UNL1111111111 -0.6215 6 C 0.6072 0.0588 -0.7070 C.ar 1 UNL1111111111 0.0440 7 C -0.8511 0.1394 -1.0388 C.3 1 UNL1111111111 -0.3863 8 C 1.4015 1.2053 -0.7705 C.ar 1 UNL1111111111 -0.1692 9 C 1.1667 -1.1639 -0.3300 C.ar 1 UNL1111111111 -0.1645 10 C 3.3085 -0.0900 -0.0664 C.ar 1 UNL1111111111 -0.0614 11 C 2.7546 1.1313 -0.4516 C.ar 1 UNL1111111111 -0.1241 12 C 2.5200 -1.2402 -0.0132 C.ar 1 UNL1111111111 -0.0979 13 C -1.6836 0.2469 0.2039 C.2 1 UNL1111111111 0.4049 14 C 4.7535 -0.1799 0.2682 C.2 1 UNL1111111111 0.4175 15 C -3.1759 0.4447 -0.0759 C.2 1 UNL1111111111 0.4937 16 C -5.1847 -0.8006 -0.3356 C.3 1 UNL1111111111 0.0107 17 C -5.8739 -0.4895 0.9798 C.3 1 UNL1111111111 -0.4839 18 H -1.0632 1.0033 -1.7120 H 1 UNL1111111111 0.1891 19 H -1.1726 -0.7548 -1.6248 H 1 UNL1111111111 0.1907 20 H 0.9683 2.1595 -1.0649 H 1 UNL1111111111 0.1581 21 H 0.5484 -2.0582 -0.2782 H 1 UNL1111111111 0.1591 22 H 3.3816 2.0211 -0.5109 H 1 UNL1111111111 0.1621 23 H 2.9713 -2.1946 0.2629 H 1 UNL1111111111 0.1685 24 H -5.4733 -0.1047 -1.1431 H 1 UNL1111111111 0.1370 25 H -5.3306 -1.8482 -0.6624 H 1 UNL1111111111 0.1412 26 H -6.9534 -0.6708 0.9203 H 1 UNL1111111111 0.1567 27 H -5.4757 -1.1052 1.7976 H 1 UNL1111111111 0.1640 28 H -5.7312 0.5628 1.2674 H 1 UNL1111111111 0.1705 29 H 6.0913 0.6207 1.6589 H 1 UNL1111111111 0.2947 30 H 4.5113 1.1876 1.8272 H 1 UNL1111111111 0.3024 31 H 6.4907 -1.0823 -0.1724 H 1 UNL1111111111 0.2728 @BOND 1 1 15 1 2 1 16 1 3 2 13 2 4 3 15 2 5 4 14 1 6 4 29 1 7 4 30 1 8 5 14 2 9 5 31 1 10 6 7 1 11 6 8 ar 12 6 9 ar 13 7 13 1 14 7 18 1 15 7 19 1 16 8 11 ar 17 8 20 1 18 9 12 ar 19 9 21 1 20 10 11 ar 21 10 12 ar 22 10 14 1 23 11 22 1 24 12 23 1 25 13 15 1 26 16 17 1 27 16 24 1 28 16 25 1 29 17 26 1 30 17 27 1 31 17 28 1