@MOLECULE 1-[(2,2-dimethylpropanoyl)oxy]ethyl 3-hydroxy-alpha-methyl-l-tyrosinate 49 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0769 0.9757 1.2586 O.3 1 UNL1111111111 -0.4767 2 O 1.9359 -0.1920 1.1478 O.3 1 UNL1111111111 -0.4630 3 O 0.9940 1.3536 -0.6903 O.2 1 UNL1111111111 -0.5480 4 O 1.4793 -1.5192 -0.6063 O.2 1 UNL1111111111 -0.5968 5 O -0.9040 -2.7672 -0.7539 O.3 1 UNL1111111111 -0.5194 6 O -3.3315 -3.2208 0.4377 O.3 1 UNL1111111111 -0.4582 7 N -0.4341 3.8278 -0.7734 N.3 1 UNL1111111111 -0.6543 8 C -1.0311 2.6155 -0.1954 C.3 1 UNL1111111111 0.1995 9 C -1.9730 1.9835 -1.2591 C.3 1 UNL1111111111 -0.2962 10 C 3.6983 -0.5217 -0.4209 C.3 1 UNL1111111111 0.0654 11 C -1.7805 2.9619 1.0890 C.3 1 UNL1111111111 -0.4611 12 C -2.3703 0.5920 -0.8765 C.ar 1 UNL1111111111 -0.0050 13 C 0.0849 1.5757 0.0689 C.2 1 UNL1111111111 0.5784 14 C 3.6671 0.6817 -1.3669 C.3 1 UNL1111111111 -0.4491 15 C 4.5495 -0.2212 0.8139 C.3 1 UNL1111111111 -0.4518 16 C 4.2233 -1.7670 -1.1433 C.3 1 UNL1111111111 -0.4540 17 C 2.2566 -0.8030 -0.0233 C.2 1 UNL1111111111 0.6736 18 C 0.5994 -0.2299 1.6035 C.3 1 UNL1111111111 0.3794 19 C -1.4699 -0.4524 -1.1154 C.ar 1 UNL1111111111 -0.2659 20 C -3.5892 0.3345 -0.2520 C.ar 1 UNL1111111111 -0.1693 21 C 0.6714 -0.2168 3.1196 C.3 1 UNL1111111111 -0.4809 22 C -1.7662 -1.7237 -0.6489 C.ar 1 UNL1111111111 0.1679 23 C -3.9166 -0.9577 0.1680 C.ar 1 UNL1111111111 -0.1953 24 C -2.9993 -1.9854 -0.0186 C.ar 1 UNL1111111111 0.1874 25 H -2.8531 2.6453 -1.3871 H 1 UNL1111111111 0.1715 26 H -1.4716 1.9862 -2.2523 H 1 UNL1111111111 0.1693 27 H -1.1046 3.2811 1.8904 H 1 UNL1111111111 0.1532 28 H -2.3361 2.0903 1.4669 H 1 UNL1111111111 0.1749 29 H -2.5025 3.7710 0.9162 H 1 UNL1111111111 0.1645 30 H 0.2039 3.6196 -1.5295 H 1 UNL1111111111 0.2721 31 H 0.0285 4.4033 -0.0893 H 1 UNL1111111111 0.2603 32 H 3.3309 1.5918 -0.8507 H 1 UNL1111111111 0.1656 33 H 4.6582 0.8827 -1.7863 H 1 UNL1111111111 0.1518 34 H 2.9722 0.5232 -2.2038 H 1 UNL1111111111 0.1673 35 H 5.5948 -0.0424 0.5368 H 1 UNL1111111111 0.1530 36 H 4.1926 0.6741 1.3414 H 1 UNL1111111111 0.1625 37 H 4.5312 -1.0477 1.5332 H 1 UNL1111111111 0.1510 38 H 5.2408 -1.6065 -1.5163 H 1 UNL1111111111 0.1535 39 H 3.5910 -2.0252 -2.0053 H 1 UNL1111111111 0.1684 40 H 4.2443 -2.6428 -0.4848 H 1 UNL1111111111 0.1519 41 H 0.0227 -1.0639 1.1470 H 1 UNL1111111111 0.1504 42 H -0.5344 -0.2794 -1.6514 H 1 UNL1111111111 0.1886 43 H -4.2963 1.1427 -0.0815 H 1 UNL1111111111 0.1534 44 H -0.3253 -0.0606 3.5559 H 1 UNL1111111111 0.1744 45 H 1.0749 -1.1628 3.5020 H 1 UNL1111111111 0.1692 46 H 1.3204 0.5936 3.4817 H 1 UNL1111111111 0.1739 47 H -4.8693 -1.1669 0.6495 H 1 UNL1111111111 0.1688 48 H 0.0347 -2.4305 -0.8293 H 1 UNL1111111111 0.3808 49 H -2.5952 -3.8638 0.2483 H 1 UNL1111111111 0.3429 @BOND 1 1 13 1 2 1 18 1 3 2 17 1 4 2 18 1 5 3 13 2 6 4 17 2 7 5 22 1 8 5 48 1 9 6 24 1 10 6 49 1 11 7 8 1 12 7 30 1 13 7 31 1 14 8 9 1 15 8 11 1 16 8 13 1 17 9 12 1 18 9 25 1 19 9 26 1 20 10 14 1 21 10 15 1 22 10 16 1 23 10 17 1 24 11 27 1 25 11 28 1 26 11 29 1 27 12 19 ar 28 12 20 ar 29 14 32 1 30 14 33 1 31 14 34 1 32 15 35 1 33 15 36 1 34 15 37 1 35 16 38 1 36 16 39 1 37 16 40 1 38 18 21 1 39 18 41 1 40 19 22 ar 41 19 42 1 42 20 23 ar 43 20 43 1 44 21 44 1 45 21 45 1 46 21 46 1 47 22 24 ar 48 23 24 ar 49 23 47 1