@MOLECULE leucyl-l-tyrosine 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4232 0.7723 1.5210 O.2 1 LEU1111111111 -0.5388 2 O -0.7105 3.5634 -0.4092 O.3 2 TYR2222222222 -0.5311 3 OXT 1.2436 4.0866 0.5193 O.2 2 TYR2222222222 -0.5182 4 OH 4.4567 -3.4794 0.3157 O.3 2 TYR2222222222 -0.4749 5 N -0.3544 0.9890 -0.4640 N.am 2 TYR2222222222 -0.5734 6 N -1.9038 -1.0797 -1.4250 N.3 1 LEU1111111111 -0.6485 7 CB -3.3779 -0.9185 0.6383 C.3 1 LEU1111111111 -0.3352 8 CG -4.5404 -1.7216 0.0335 C.3 1 LEU1111111111 -0.0587 9 CA -2.5197 -0.1966 -0.4133 C.3 1 LEU1111111111 -0.0301 10 CA 0.7540 1.7322 0.1074 C.3 2 TYR2222222222 0.0465 11 C -1.3980 0.5577 0.3265 C.2 1 LEU1111111111 0.5711 12 CB 2.0552 1.4953 -0.6954 C.3 2 TYR2222222222 -0.3012 13 CD1 -5.3348 -2.3787 1.1705 C.3 1 LEU1111111111 -0.4545 14 CD2 -5.4695 -0.8323 -0.8005 C.3 1 LEU1111111111 -0.4581 15 CG 2.6711 0.1702 -0.3715 C.ar 2 TYR2222222222 -0.0685 16 C 0.4912 3.2379 0.1153 C.2 2 TYR2222222222 0.5953 17 CD1 3.7083 0.0929 0.5601 C.ar 2 TYR2222222222 -0.0824 18 CD2 2.2293 -0.9880 -1.0214 C.ar 2 TYR2222222222 -0.0886 19 CE1 4.3307 -1.1228 0.8281 C.ar 2 TYR2222222222 -0.3051 20 CE2 2.8303 -2.2138 -0.7687 C.ar 2 TYR2222222222 -0.2460 21 CZ 3.8885 -2.2571 0.1465 C.ar 2 TYR2222222222 0.2885 22 HB1 -2.7399 -1.5827 1.2546 H 1 LEU1111111111 0.1577 23 HB2 -3.7679 -0.1683 1.3599 H 1 LEU1111111111 0.1745 24 HG -4.1289 -2.5272 -0.6204 H 1 LEU1111111111 0.1198 25 HA -3.1425 0.5687 -0.9524 H 1 LEU1111111111 0.1670 26 HA 0.8998 1.4191 1.1881 H 2 TYR2222222222 0.2047 27 HB1 1.8546 1.5749 -1.7851 H 2 TYR2222222222 0.1591 28 HB2 2.7748 2.3199 -0.4799 H 2 TYR2222222222 0.1777 29 HD11 -4.6914 -2.9943 1.8086 H 1 LEU1111111111 0.1460 30 HD12 -6.1267 -3.0267 0.7804 H 1 LEU1111111111 0.1435 31 HD13 -5.8106 -1.6278 1.8120 H 1 LEU1111111111 0.1512 32 HD21 -6.3732 -1.3757 -1.0994 H 1 LEU1111111111 0.1461 33 HD22 -4.9859 -0.4816 -1.7170 H 1 LEU1111111111 0.1373 34 HD23 -5.7931 0.0495 -0.2353 H 1 LEU1111111111 0.1522 35 H -0.3528 0.8137 -1.4613 H 2 TYR2222222222 0.3340 36 H1 -1.4078 -1.8477 -0.9949 H 1 LEU1111111111 0.2571 37 H2 -2.5973 -1.4599 -2.0514 H 1 LEU1111111111 0.2570 38 HD1 4.0429 0.9926 1.0798 H 2 TYR2222222222 0.1574 39 HD2 1.4047 -0.9308 -1.7328 H 2 TYR2222222222 0.1569 40 HE1 5.1419 -1.1825 1.5447 H 2 TYR2222222222 0.1601 41 HE2 2.5059 -3.1241 -1.2650 H 2 TYR2222222222 0.1736 42 H -0.9113 4.5329 -0.3532 H 2 TYR2222222222 0.3510 43 HH 5.1775 -3.4692 0.9902 H 2 TYR2222222222 0.3280 @BOND 1 1 11 2 2 2 16 1 3 2 42 1 4 3 16 2 5 4 21 1 6 4 43 1 7 5 10 1 8 5 11 am 9 5 35 1 10 6 9 1 11 6 36 1 12 6 37 1 13 7 8 1 14 7 9 1 15 7 22 1 16 7 23 1 17 8 13 1 18 8 14 1 19 8 24 1 20 9 11 1 21 9 25 1 22 10 12 1 23 10 16 1 24 10 26 1 25 12 15 1 26 12 27 1 27 12 28 1 28 13 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 14 34 1 34 15 17 ar 35 15 18 ar 36 17 19 ar 37 17 38 1 38 18 20 ar 39 18 39 1 40 19 21 ar 41 19 40 1 42 20 21 ar 43 20 41 1