@MOLECULE ethyl n-benzoyl-d-tyrosinate 42 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2060 1.5305 -1.1860 O.3 1 UNL1111111111 -0.4294 2 O -1.7858 3.3611 -0.0148 O.2 1 UNL1111111111 -0.5082 3 O 2.4413 1.7477 1.6299 O.2 1 UNL1111111111 -0.5174 4 O -3.4426 -3.4842 -0.4416 O.3 1 UNL1111111111 -0.4744 5 N 0.7766 0.9014 0.3580 N.am 1 UNL1111111111 -0.5989 6 C -0.2282 1.7674 0.9591 C.3 1 UNL1111111111 0.0387 7 C -1.1054 1.0061 1.9859 C.3 1 UNL1111111111 -0.3036 8 C -1.7312 -0.2118 1.3841 C.ar 1 UNL1111111111 -0.0657 9 C -1.1526 2.3430 -0.1134 C.2 1 UNL1111111111 0.5714 10 C -1.0692 -1.4387 1.4468 C.ar 1 UNL1111111111 -0.0919 11 C -2.9670 -0.1163 0.7322 C.ar 1 UNL1111111111 -0.0926 12 C 2.0894 0.9466 0.7879 C.2 1 UNL1111111111 0.5851 13 C 3.0071 -0.0231 0.1336 C.ar 1 UNL1111111111 -0.1276 14 C -1.6121 -2.5690 0.8404 C.ar 1 UNL1111111111 -0.3074 15 C -3.5323 -1.2285 0.1244 C.ar 1 UNL1111111111 -0.2466 16 C -2.8360 -2.4412 0.1837 C.ar 1 UNL1111111111 0.2857 17 C -2.0753 1.9064 -2.2660 C.3 1 UNL1111111111 0.0097 18 C 4.2517 0.4391 -0.2936 C.ar 1 UNL1111111111 -0.0895 19 C 2.6524 -1.3625 -0.0248 C.ar 1 UNL1111111111 -0.1222 20 C 5.1403 -0.4442 -0.9030 C.ar 1 UNL1111111111 -0.1610 21 C 3.5456 -2.2419 -0.6320 C.ar 1 UNL1111111111 -0.1578 22 C -2.3728 0.5935 -2.9702 C.3 1 UNL1111111111 -0.4686 23 C 4.7857 -1.7817 -1.0739 C.ar 1 UNL1111111111 -0.1201 24 H 0.2847 2.6331 1.4813 H 1 UNL1111111111 0.2043 25 H -1.8753 1.6961 2.3923 H 1 UNL1111111111 0.1683 26 H -0.4718 0.7366 2.8593 H 1 UNL1111111111 0.1737 27 H 0.4516 0.2331 -0.3275 H 1 UNL1111111111 0.3314 28 H -0.1187 -1.5153 1.9759 H 1 UNL1111111111 0.1562 29 H -3.4878 0.8419 0.6951 H 1 UNL1111111111 0.1594 30 H -1.0982 -3.5222 0.8856 H 1 UNL1111111111 0.1602 31 H -4.4912 -1.1783 -0.3849 H 1 UNL1111111111 0.1755 32 H -1.5106 2.6191 -2.8911 H 1 UNL1111111111 0.1328 33 H -2.9823 2.3969 -1.8703 H 1 UNL1111111111 0.1406 34 H 4.5245 1.4856 -0.1415 H 1 UNL1111111111 0.1700 35 H 1.6888 -1.7267 0.3301 H 1 UNL1111111111 0.1540 36 H 6.1122 -0.0900 -1.2422 H 1 UNL1111111111 0.1556 37 H 3.2754 -3.2882 -0.7603 H 1 UNL1111111111 0.1528 38 H -2.8723 -0.1170 -2.2952 H 1 UNL1111111111 0.1647 39 H -1.4524 0.1049 -3.3154 H 1 UNL1111111111 0.1600 40 H -3.0211 0.7470 -3.8401 H 1 UNL1111111111 0.1571 41 H 5.4811 -2.4704 -1.5511 H 1 UNL1111111111 0.1489 42 H -2.9236 -4.3199 -0.3644 H 1 UNL1111111111 0.3269 @BOND 1 1 9 1 2 1 17 1 3 2 9 2 4 3 12 2 5 4 16 1 6 4 42 1 7 5 6 1 8 5 12 am 9 5 27 1 10 6 7 1 11 6 9 1 12 6 24 1 13 7 8 1 14 7 25 1 15 7 26 1 16 8 10 ar 17 8 11 ar 18 10 14 ar 19 10 28 1 20 11 15 ar 21 11 29 1 22 12 13 1 23 13 18 ar 24 13 19 ar 25 14 16 ar 26 14 30 1 27 15 16 ar 28 15 31 1 29 17 22 1 30 17 32 1 31 17 33 1 32 18 20 ar 33 18 34 1 34 19 21 ar 35 19 35 1 36 20 23 ar 37 20 36 1 38 21 23 ar 39 21 37 1 40 22 38 1 41 22 39 1 42 22 40 1 43 23 41 1