@MOLECULE 3-butoxy-l-tyrosine 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0039 0.8784 0.2707 O.3 1 UNL1111111111 -0.2964 2 O 1.4686 3.2065 -0.6991 O.3 1 UNL1111111111 -0.4342 3 O -1.6899 -1.1980 -1.6859 O.3 1 UNL1111111111 -0.5388 4 OXT -1.9711 -2.8273 -0.1884 O.2 1 UNL1111111111 -0.5242 5 N -4.5146 -1.5946 0.4366 N.3 1 UNL1111111111 -0.6348 6 C -2.7843 -0.0032 1.1236 C.3 1 UNL1111111111 -0.2884 7 C -1.6712 0.8798 0.6538 C.ar 1 UNL1111111111 0.0015 8 CA -3.3687 -0.8191 -0.0521 C.3 1 UNL1111111111 0.0104 9 C 3.8412 -0.5231 0.2181 C.3 1 UNL1111111111 -0.2902 10 C -0.3545 0.4004 0.7040 C.ar 1 UNL1111111111 -0.2639 11 C 2.3208 -0.5149 0.3925 C.3 1 UNL1111111111 -0.0547 12 C 0.6852 1.1966 0.2485 C.ar 1 UNL1111111111 0.1717 13 C 4.3512 -1.9558 0.0416 C.3 1 UNL1111111111 -0.2448 14 C -1.9416 2.1524 0.1665 C.ar 1 UNL1111111111 -0.1594 15 C 0.4013 2.4906 -0.2589 C.ar 1 UNL1111111111 0.1873 16 C -0.9012 2.9668 -0.2920 C.ar 1 UNL1111111111 -0.2477 17 C -2.2822 -1.7402 -0.6018 C.2 1 UNL1111111111 0.5821 18 C 5.8794 -1.9821 0.0162 C.3 1 UNL1111111111 -0.4392 19 H -2.4508 -0.6796 1.9376 H 1 UNL1111111111 0.1622 20 H -3.6086 0.5967 1.5746 H 1 UNL1111111111 0.1762 21 HA -3.7193 -0.1204 -0.8599 H 1 UNL1111111111 0.1807 22 H 4.3245 -0.0356 1.0864 H 1 UNL1111111111 0.1525 23 H 4.1205 0.1000 -0.6563 H 1 UNL1111111111 0.1601 24 H -0.1609 -0.5950 1.1013 H 1 UNL1111111111 0.1686 25 H 1.8030 -1.0825 -0.3984 H 1 UNL1111111111 0.1265 26 H 2.0113 -0.8779 1.3868 H 1 UNL1111111111 0.1274 27 H 3.9503 -2.3911 -0.8941 H 1 UNL1111111111 0.1359 28 H 3.9795 -2.5998 0.8618 H 1 UNL1111111111 0.1355 29 H -2.9638 2.5234 0.1333 H 1 UNL1111111111 0.1549 30 H -1.1174 3.9580 -0.6789 H 1 UNL1111111111 0.1573 31 H 6.2802 -1.3275 -0.7660 H 1 UNL1111111111 0.1454 32 H 6.3015 -1.6473 0.9702 H 1 UNL1111111111 0.1441 33 H 6.2568 -2.9925 -0.1764 H 1 UNL1111111111 0.1408 34 H1 -4.2500 -2.2750 1.1364 H 1 UNL1111111111 0.2676 35 H2 -5.0167 -2.0558 -0.3041 H 1 UNL1111111111 0.2594 36 H 1.1930 4.0986 -1.0256 H 1 UNL1111111111 0.3156 37 H -0.9596 -1.7478 -2.0645 H 1 UNL1111111111 0.3530 @BOND 1 1 11 1 2 1 12 1 3 2 15 1 4 2 36 1 5 3 17 1 6 3 37 1 7 4 17 2 8 5 8 1 9 5 34 1 10 5 35 1 11 6 7 1 12 6 8 1 13 6 19 1 14 6 20 1 15 7 10 ar 16 7 14 ar 17 8 17 1 18 8 21 1 19 9 11 1 20 9 13 1 21 9 22 1 22 9 23 1 23 10 12 ar 24 10 24 1 25 11 25 1 26 11 26 1 27 12 15 ar 28 13 18 1 29 13 27 1 30 13 28 1 31 14 16 ar 32 14 29 1 33 15 16 ar 34 16 30 1 35 18 31 1 36 18 32 1 37 18 33 1