@MOLECULE isopropyl 3-hydroxy-l-tyrosinate 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.5219 -0.6969 0.3910 O.3 1 UNL111111111 -0.4334 2 O -3.1407 0.1489 -0.9276 O.2 1 UNL111111111 -0.5347 3 O 2.5640 -1.6540 -1.2254 O.3 1 UNL111111111 -0.4283 4 O 4.2371 -0.6512 0.5327 O.3 1 UNL111111111 -0.4284 5 N -2.7524 2.6728 0.2858 N.3 1 UNL111111111 -0.6277 6 C -1.6876 1.6609 0.3124 C.3 1 UNL111111111 0.0018 7 C -0.5428 2.1111 -0.6218 C.3 1 UNL111111111 -0.2917 8 C 0.7268 1.3908 -0.2934 C.ar 1 UNL111111111 0.0123 9 C -2.2174 0.3059 -0.1678 C.2 1 UNL111111111 0.5463 10 C -1.8931 -2.0543 0.0669 C.3 1 UNL111111111 0.1833 11 C 1.0277 0.1911 -0.9509 C.ar 1 UNL111111111 -0.2595 12 C 1.6030 1.9085 0.6558 C.ar 1 UNL111111111 -0.1593 13 C 2.2053 -0.4784 -0.6461 C.ar 1 UNL111111111 0.1963 14 C -3.1629 -2.4106 0.8258 C.3 1 UNL111111111 -0.4960 15 C -0.6805 -2.8535 0.5308 C.3 1 UNL111111111 -0.4766 16 C 2.7960 1.2453 0.9571 C.ar 1 UNL111111111 -0.2454 17 C 3.1005 0.0557 0.3066 C.ar 1 UNL111111111 0.1856 18 H -1.3041 1.5686 1.3648 H 1 UNL111111111 0.1787 19 H -0.8266 1.9680 -1.6838 H 1 UNL111111111 0.1600 20 H -0.4114 3.2127 -0.5109 H 1 UNL111111111 0.1809 21 H -2.0413 -2.1187 -1.0340 H 1 UNL111111111 0.1318 22 H 0.3365 -0.2157 -1.6839 H 1 UNL111111111 0.1652 23 H 1.3637 2.8359 1.1730 H 1 UNL111111111 0.1589 24 H -3.4828 2.4767 0.9524 H 1 UNL111111111 0.2572 25 H -3.1697 2.7622 -0.6317 H 1 UNL111111111 0.2654 26 H -4.0241 -1.8423 0.4456 H 1 UNL111111111 0.1670 27 H -3.4023 -3.4742 0.7242 H 1 UNL111111111 0.1580 28 H -3.0706 -2.1903 1.8943 H 1 UNL111111111 0.1595 29 H 0.2491 -2.4530 0.1009 H 1 UNL111111111 0.1647 30 H -0.7661 -3.9068 0.2436 H 1 UNL111111111 0.1565 31 H -0.5594 -2.8090 1.6207 H 1 UNL111111111 0.1635 32 H 3.4779 1.6588 1.6941 H 1 UNL111111111 0.1575 33 H 1.9031 -1.9301 -1.9098 H 1 UNL111111111 0.3154 34 H 4.8380 -0.1728 1.1572 H 1 UNL111111111 0.3151 @BOND 1 1 9 1 2 1 10 1 3 2 9 2 4 3 13 1 5 3 33 1 6 4 17 1 7 4 34 1 8 5 6 1 9 5 24 1 10 5 25 1 11 6 7 1 12 6 9 1 13 6 18 1 14 7 8 1 15 7 19 1 16 7 20 1 17 8 11 ar 18 8 12 ar 19 10 14 1 20 10 15 1 21 10 21 1 22 11 13 ar 23 11 22 1 24 12 16 ar 25 12 23 1 26 13 17 ar 27 14 26 1 28 14 27 1 29 14 28 1 30 15 29 1 31 15 30 1 32 15 31 1 33 16 17 ar 34 16 32 1