@MOLECULE (2s)-2-(3-carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.0814 -0.0132 0.8343 C.ar 1 UNL1111111111 -0.1792 2 C 8.3888 0.0605 0.3609 C.ar 1 UNL1111111111 -0.1345 3 C 8.8823 -0.9293 -0.4879 C.ar 1 UNL1111111111 -0.1658 4 C 8.0639 -1.9933 -0.8624 C.ar 1 UNL1111111111 -0.1358 5 C 6.7547 -2.0688 -0.3920 C.ar 1 UNL1111111111 -0.1834 6 C 6.2595 -1.0787 0.4587 C.ar 1 UNL1111111111 0.0220 7 C 4.8466 -1.1471 0.9522 C.3 1 UNL1111111111 -0.3014 8 C 3.9659 -0.1975 0.1164 C.3 1 UNL1111111111 -0.2138 9 C 2.4907 -0.3858 0.5502 C.3 1 UNL1111111111 -0.2008 10 P 1.2803 0.7426 -0.2677 P.3 1 UNL1111111111 0.1328 11 O 1.4043 0.9849 -1.7164 O.2 1 UNL1111111111 -0.3692 12 O 1.5253 2.0624 0.6300 O.3 1 UNL1111111111 -0.4301 13 C -0.4269 0.1590 0.2620 C.3 1 UNL1111111111 -0.2672 14 C -1.6083 0.7803 -0.5211 C.3 1 UNL1111111111 -0.1513 15 C -1.5831 2.2923 -0.5749 C.2 1 UNL1111111111 0.6718 16 O -0.9155 3.0833 0.0455 O.2 1 UNL1111111111 -0.5367 17 O -2.5042 2.7303 -1.4659 O.3 1 UNL1111111111 -0.5447 18 C -2.8918 0.3599 0.1533 C.ar 1 UNL1111111111 0.0585 19 C -3.7487 -0.5197 -0.5008 C.ar 1 UNL1111111111 -0.2797 20 C -3.2117 0.8522 1.4202 C.ar 1 UNL1111111111 -0.2343 21 C -4.3958 0.4548 2.0367 C.ar 1 UNL1111111111 -0.0746 22 C -5.2674 -0.4207 1.4005 C.ar 1 UNL1111111111 -0.2564 23 C -4.9504 -0.9022 0.1211 C.ar 1 UNL1111111111 0.2458 24 N -5.7876 -1.8070 -0.5527 N.pl3 1 UNL1111111111 -0.6296 25 C -7.2034 -1.8858 -0.3986 C.cat 1 UNL1111111111 0.5776 26 N -7.8466 -0.7167 0.0219 N.pl3 1 UNL1111111111 -0.6364 27 N -7.8991 -2.9522 -0.6100 N.pl3 1 UNL1111111111 -0.6684 28 H 6.6974 0.7627 1.4937 H 1 UNL1111111111 0.1547 29 H 9.0261 0.8930 0.6525 H 1 UNL1111111111 0.1481 30 H 9.9031 -0.8706 -0.8580 H 1 UNL1111111111 0.1489 31 H 8.4472 -2.7661 -1.5257 H 1 UNL1111111111 0.1468 32 H 6.1191 -2.8984 -0.6920 H 1 UNL1111111111 0.1498 33 H 4.4574 -2.1822 0.8947 H 1 UNL1111111111 0.1434 34 H 4.7948 -0.8707 2.0244 H 1 UNL1111111111 0.1486 35 H 4.3202 0.8466 0.2582 H 1 UNL1111111111 0.1625 36 H 4.1134 -0.4126 -0.9639 H 1 UNL1111111111 0.1597 37 H 2.1861 -1.4510 0.3407 H 1 UNL1111111111 0.1681 38 H 2.4215 -0.2377 1.6673 H 1 UNL1111111111 0.1779 39 H 0.7943 2.7458 0.4213 H 1 UNL1111111111 0.3511 40 H -0.4833 -0.9586 0.1486 H 1 UNL1111111111 0.1792 41 H -0.5488 0.3686 1.3614 H 1 UNL1111111111 0.1854 42 H -1.5982 0.4104 -1.5914 H 1 UNL1111111111 0.2017 43 H -2.5189 3.7155 -1.5698 H 1 UNL1111111111 0.3576 44 H -3.5024 -0.8943 -1.4908 H 1 UNL1111111111 0.1658 45 H -2.5430 1.5472 1.9256 H 1 UNL1111111111 0.1669 46 H -4.6428 0.8319 3.0297 H 1 UNL1111111111 0.1524 47 H -6.1839 -0.7401 1.8966 H 1 UNL1111111111 0.1821 48 H -5.3822 -2.3470 -1.3080 H 1 UNL1111111111 0.3227 49 H -7.4370 0.1648 -0.2217 H 1 UNL1111111111 0.3023 50 H -8.8550 -0.7437 0.0224 H 1 UNL1111111111 0.3183 51 H -7.4749 -3.8426 -0.7779 H 1 UNL1111111111 0.2910 @BOND 1 1 6 ar 2 1 2 ar 3 1 28 1 4 2 3 ar 5 2 29 1 6 3 4 ar 7 3 30 1 8 4 5 ar 9 4 31 1 10 5 6 ar 11 5 32 1 12 6 7 1 13 7 8 1 14 7 33 1 15 7 34 1 16 8 9 1 17 8 35 1 18 8 36 1 19 9 10 1 20 9 37 1 21 9 38 1 22 10 11 2 23 10 13 1 24 10 12 1 25 12 39 1 26 13 14 1 27 13 40 1 28 13 41 1 29 14 18 1 30 14 15 1 31 14 42 1 32 15 16 2 33 15 17 1 34 17 43 1 35 18 19 ar 36 18 20 ar 37 19 23 ar 38 19 44 1 39 20 21 ar 40 20 45 1 41 21 22 ar 42 21 46 1 43 22 23 ar 44 22 47 1 45 23 24 1 46 24 25 1 47 24 48 1 48 25 26 1 49 25 27 2 50 26 49 1 51 26 50 1 52 27 51 1