@MOLECULE methyl alpha-methyl-l-tyrosinate 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2976 -1.3161 0.9788 O.3 1 UNL1111111111 -0.3821 2 O 2.0523 -1.3194 -1.1402 O.2 1 UNL1111111111 -0.5223 3 O -4.2389 -0.6031 0.2181 O.3 1 UNL1111111111 -0.4749 4 N 3.3236 1.1115 -0.3571 N.3 1 UNL1111111111 -0.6640 5 C 1.9524 0.7913 0.0774 C.3 1 UNL1111111111 0.1835 6 C 0.8726 1.4786 -0.8102 C.3 1 UNL1111111111 -0.3386 7 C -0.5002 0.9590 -0.5276 C.ar 1 UNL1111111111 -0.0696 8 C 1.8011 1.1849 1.5472 C.3 1 UNL1111111111 -0.4547 9 C 1.7999 -0.7224 -0.1251 C.2 1 UNL1111111111 0.5805 10 C -0.9833 -0.1448 -1.2430 C.ar 1 UNL1111111111 -0.1011 11 C -1.2968 1.5605 0.4475 C.ar 1 UNL1111111111 -0.0878 12 C -2.2444 -0.6590 -0.9816 C.ar 1 UNL1111111111 -0.2361 13 C -2.5669 1.0624 0.7300 C.ar 1 UNL1111111111 -0.3040 14 C -3.0176 -0.0438 0.0105 C.ar 1 UNL1111111111 0.2877 15 C 1.0346 -2.7129 0.8678 C.3 1 UNL1111111111 -0.1777 16 H 1.1277 1.3267 -1.8804 H 1 UNL1111111111 0.1640 17 H 0.9196 2.5740 -0.6516 H 1 UNL1111111111 0.1584 18 H 0.8307 0.8628 1.9484 H 1 UNL1111111111 0.1675 19 H 2.5803 0.7053 2.1594 H 1 UNL1111111111 0.1733 20 H 1.8896 2.2660 1.6916 H 1 UNL1111111111 0.1487 21 H 3.5206 2.0967 -0.3212 H 1 UNL1111111111 0.2631 22 H 3.5395 0.7414 -1.2714 H 1 UNL1111111111 0.2727 23 H -0.3567 -0.6102 -2.0080 H 1 UNL1111111111 0.1678 24 H -0.9258 2.4257 0.9965 H 1 UNL1111111111 0.1513 25 H -2.6377 -1.5153 -1.5235 H 1 UNL1111111111 0.1770 26 H -3.1846 1.5259 1.4902 H 1 UNL1111111111 0.1589 27 H 0.6557 -2.9699 1.8643 H 1 UNL1111111111 0.1467 28 H 1.9568 -3.2552 0.6347 H 1 UNL1111111111 0.1437 29 H 0.2779 -2.8909 0.0963 H 1 UNL1111111111 0.1419 30 H -4.7493 -0.1365 0.9214 H 1 UNL1111111111 0.3261 @BOND 1 1 9 1 2 1 15 1 3 2 9 2 4 3 14 1 5 3 30 1 6 4 5 1 7 4 21 1 8 4 22 1 9 5 6 1 10 5 8 1 11 5 9 1 12 6 7 1 13 6 16 1 14 6 17 1 15 7 10 ar 16 7 11 ar 17 8 18 1 18 8 19 1 19 8 20 1 20 10 12 ar 21 10 23 1 22 11 13 ar 23 11 24 1 24 12 14 ar 25 12 25 1 26 13 14 ar 27 13 26 1 28 15 27 1 29 15 28 1 30 15 29 1