@MOLECULE (2S)-2-amino-6-[(4-fluorobenzoyl)amino]hexanoic acid 36 36 0 0 0 SMALL GASTEIGER @ATOM 1 N1 -5.4345 0.9760 1.3255 N.3 1 <1> -0.6251 2 C1 -5.1479 0.3206 0.0448 C.3 1 <1> -0.0008 3 C2 -6.1458 -0.8002 -0.2344 C.2 1 <1> 0.5710 4 O1 -6.9614 -1.2579 0.5208 O.2 1 <1> -0.5106 5 C3 -3.7304 -0.2851 0.0422 C.3 1 <1> -0.2765 6 C4 -2.6769 0.8258 0.1149 C.3 1 <1> -0.2596 7 C5 -1.2731 0.2287 0.2389 C.3 1 <1> -0.3032 8 C6 -0.2355 1.3605 0.3569 C.3 1 <1> -0.0662 9 N2 1.1103 0.8025 0.5188 N.am 1 <1> -0.6064 10 O2 1.8784 1.7328 -1.3975 O.2 1 <1> -0.5135 11 C7 2.0808 1.0166 -0.4386 C.2 1 <1> 0.5808 12 C8 3.3808 0.3322 -0.1917 C.ar 1 <1> -0.1653 13 C9 3.4374 -1.0580 -0.0912 C.ar 1 <1> -0.0836 14 C10 4.6616 -1.6913 0.1047 C.ar 1 <1> -0.2296 15 C11 5.8031 -0.8939 0.1933 C.ar 1 <1> 0.2252 16 F1 6.9711 -1.4867 0.3854 F 1 <1> -0.1698 17 C12 5.7721 0.4967 0.0872 C.ar 1 <1> -0.2301 18 C13 4.5380 1.1087 -0.1153 C.ar 1 <1> -0.0537 19 O3 -6.0239 -1.2503 -1.5048 O.3 1 <1> -0.5565 20 H1 -6.3719 1.3486 1.3654 H 1 <1> 0.2626 21 H2 -5.2965 0.3602 2.1132 H 1 <1> 0.2617 22 H3 -5.2319 1.0930 -0.7706 H 1 <1> 0.1806 23 H4 -3.6088 -0.9837 0.8916 H 1 <1> 0.1458 24 H5 -3.5846 -0.8884 -0.8774 H 1 <1> 0.1599 25 H6 -2.7420 1.4715 -0.7821 H 1 <1> 0.1447 26 H7 -2.8949 1.4899 0.9776 H 1 <1> 0.1620 27 H8 -1.2145 -0.4391 1.1174 H 1 <1> 0.1382 28 H9 -1.0425 -0.4018 -0.6414 H 1 <1> 0.1512 29 H10 -0.2671 2.0105 -0.5517 H 1 <1> 0.1730 30 H11 -0.4646 2.0150 1.2278 H 1 <1> 0.1365 31 H12 1.2695 0.2079 1.3124 H 1 <1> 0.3098 32 H13 2.5271 -1.6526 -0.1784 H 1 <1> 0.1596 33 H14 4.7228 -2.7755 0.1816 H 1 <1> 0.1779 34 H15 6.6834 1.0889 0.1536 H 1 <1> 0.1796 35 H16 4.4722 2.1945 -0.2230 H 1 <1> 0.1721 36 H17 -6.6537 -1.9783 -1.7364 H 1 <1> 0.3582 @BOND 1 1 20 1 2 1 21 1 3 2 1 1 4 2 3 1 5 2 5 1 6 2 22 1 7 3 4 2 8 3 19 1 9 5 23 1 10 5 24 1 11 6 5 1 12 6 7 1 13 6 25 1 14 6 26 1 15 7 8 1 16 7 27 1 17 7 28 1 18 8 9 1 19 8 29 1 20 8 30 1 21 9 11 am 22 9 31 1 23 11 10 2 24 11 12 1 25 12 18 ar 26 13 14 ar 27 13 12 ar 28 13 32 1 29 14 15 ar 30 14 33 1 31 15 16 1 32 15 17 ar 33 17 34 1 34 18 17 ar 35 18 35 1 36 19 36 1