@MOLECULE n-hydroxy-l-tyrosine 25 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7718 -1.3758 1.4114 O.3 1 UNL1 -0.5544 2 O 3.9143 0.8100 0.7365 O.3 1 UNL1 -0.3688 3 O 1.8334 -1.8004 -0.7742 O.2 1 UNL1 -0.4949 4 O -4.4941 -0.2593 0.6742 O.3 1 UNL1 -0.4736 5 N 3.0612 1.0205 -0.3705 N.4 1 UNL1 -0.3064 6 C 0.7093 0.9011 -1.0802 C.3 1 UNL1 -0.2851 7 C 1.7145 0.5261 0.0288 C.3 1 UNL1 -0.0626 8 C -0.6819 0.5774 -0.6361 C.ar 1 UNL1 -0.0876 9 C -1.2579 -0.6450 -0.9860 C.ar 1 UNL1 -0.0803 10 C -1.3975 1.4949 0.1418 C.ar 1 UNL1 -0.0960 11 C 1.7946 -0.9903 0.1107 C.2 1 UNL1 0.6373 12 C -2.5447 -0.9660 -0.5629 C.ar 1 UNL1 -0.3025 13 C -2.6819 1.1982 0.5763 C.ar 1 UNL1 -0.2396 14 C -3.2358 -0.0353 0.2145 C.ar 1 UNL1 0.2916 15 H 0.9720 0.3590 -2.0194 H 1 UNL1 0.1828 16 H 0.8022 1.9741 -1.3394 H 1 UNL1 0.1569 17 H 1.3838 0.9337 1.0231 H 1 UNL1 0.1765 18 H -0.6926 -1.3597 -1.5892 H 1 UNL1 0.1672 19 H -0.9449 2.4486 0.4115 H 1 UNL1 0.1514 20 H 3.0617 2.0434 -0.4353 H 1 UNL1 0.2566 21 H -2.9935 -1.9156 -0.8317 H 1 UNL1 0.1624 22 H -3.2568 1.8930 1.1830 H 1 UNL1 0.1753 23 H 1.7923 -2.3553 1.5400 H 1 UNL1 0.3528 24 H 4.4948 0.0529 0.4279 H 1 UNL1 0.3126 25 H -4.8418 -1.1419 0.4005 H 1 UNL1 0.3283 @BOND 1 15 6 1 2 18 9 1 3 16 6 1 4 6 8 1 5 6 7 1 6 9 8 ar 7 9 12 ar 8 21 12 1 9 3 11 2 10 8 10 ar 11 12 14 ar 12 20 5 1 13 5 7 1 14 5 2 1 15 7 11 1 16 7 17 1 17 11 1 1 18 10 19 1 19 10 13 ar 20 14 13 ar 21 14 4 1 22 25 4 1 23 24 2 1 24 13 22 1 25 1 23 1