@MOLECULE 2,5-dihydroxy-alpha-methyltyrosine 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3590 0.6431 1.6226 O.3 1 UNL1111111111 -0.5364 2 O -0.3194 2.0573 -0.9788 O.3 1 UNL1111111111 -0.4679 3 O -3.2448 1.2948 0.6285 O.2 1 UNL1111111111 -0.5305 4 O 3.3429 -1.8136 0.2636 O.3 1 UNL1111111111 -0.4932 5 O 3.9885 0.8079 0.5695 O.3 1 UNL1111111111 -0.4451 6 N -3.4879 -1.1149 -0.7469 N.3 1 UNL1111111111 -0.6531 7 C -2.1939 -0.7853 -0.1212 C.3 1 UNL1111111111 0.1947 8 C -1.1835 -0.5324 -1.2695 C.3 1 UNL1111111111 -0.2727 9 C 0.1900 -0.2137 -0.7881 C.ar 1 UNL1111111111 -0.0942 10 C -1.7708 -1.9322 0.7988 C.3 1 UNL1111111111 -0.4593 11 C -2.3441 0.5000 0.7095 C.2 1 UNL1111111111 0.5798 12 C 0.6022 1.1189 -0.6382 C.ar 1 UNL1111111111 0.2844 13 C 1.1059 -1.2266 -0.4911 C.ar 1 UNL1111111111 -0.1772 14 C 2.3744 -0.8952 -0.0381 C.ar 1 UNL1111111111 0.0690 15 C 1.8740 1.4754 -0.1823 C.ar 1 UNL1111111111 -0.3510 16 C 2.7623 0.4495 0.1250 C.ar 1 UNL1111111111 0.2746 17 H -1.1754 -1.4331 -1.9237 H 1 UNL1111111111 0.1730 18 H -1.5653 0.2848 -1.9241 H 1 UNL1111111111 0.1740 19 H -2.4890 -2.0979 1.6096 H 1 UNL1111111111 0.1515 20 H -0.7982 -1.7229 1.2681 H 1 UNL1111111111 0.1746 21 H -1.6858 -2.8707 0.2362 H 1 UNL1111111111 0.1633 22 H -3.8721 -0.3392 -1.2698 H 1 UNL1111111111 0.2701 23 H -4.1737 -1.4277 -0.0784 H 1 UNL1111111111 0.2606 24 H 0.8200 -2.2689 -0.6179 H 1 UNL1111111111 0.1638 25 H 2.1773 2.5104 -0.0644 H 1 UNL1111111111 0.1860 26 H -1.4268 1.4804 2.1473 H 1 UNL1111111111 0.3497 27 H 0.0271 2.9768 -0.8683 H 1 UNL1111111111 0.3319 28 H 2.9802 -2.7298 0.2651 H 1 UNL1111111111 0.3346 29 H 4.5433 0.0041 0.7665 H 1 UNL1111111111 0.3450 @BOND 1 1 11 1 2 1 26 1 3 2 12 1 4 2 27 1 5 3 11 2 6 4 14 1 7 4 28 1 8 5 16 1 9 5 29 1 10 6 7 1 11 6 22 1 12 6 23 1 13 7 8 1 14 7 10 1 15 7 11 1 16 8 9 1 17 8 17 1 18 8 18 1 19 9 12 ar 20 9 13 ar 21 10 19 1 22 10 20 1 23 10 21 1 24 12 15 ar 25 13 14 ar 26 13 24 1 27 14 16 ar 28 15 16 ar 29 15 25 1