@MOLECULE 2-(2-amino-3-carboxypropanoyl)-3-(2-amino-3-hydroxybutanoyl)tyrosine 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.7995 -2.4468 0.6591 O.3 1 UNL1111111111 -0.5579 2 O -2.4346 -1.3104 -2.2962 O.3 1 UNL1111111111 -0.4841 3 O -2.9067 1.3690 -0.6761 O.2 1 UNL1111111111 -0.4149 4 O 0.3730 0.5807 2.0775 O.2 1 UNL1111111111 -0.4117 5 O 1.7204 -3.1469 0.4404 O.3 1 UNL1111111111 -0.5341 6 OXT 3.9512 -3.2004 0.4414 O.2 1 UNL1111111111 -0.5237 7 O 2.9710 2.8077 -1.3619 O.3 1 UNL1111111111 -0.5704 8 O 0.8508 2.9200 -2.0464 O.2 1 UNL1111111111 -0.4814 9 N -3.6030 0.8815 1.9273 N.3 1 UNL1111111111 -0.6089 10 N -0.3916 3.1959 1.9849 N.3 1 UNL1111111111 -0.6203 11 N 3.9896 -0.7094 1.8372 N.3 1 UNL1111111111 -0.6324 12 C 0.1460 0.1314 -0.2236 C.ar 1 UNL1111111111 -0.0730 13 C 1.2984 -0.4294 -0.7755 C.ar 1 UNL1111111111 -0.0192 14 C -1.1130 -0.1502 -0.7590 C.ar 1 UNL1111111111 -0.2052 15 C 2.6401 -0.2316 -0.1478 C.3 1 UNL1111111111 -0.2956 16 C -2.8103 -0.1088 1.1837 C.3 1 UNL1111111111 -0.1265 17 C -2.3397 0.4377 -0.1643 C.2 1 UNL1111111111 0.4187 18 C 0.2281 1.0186 0.9653 C.2 1 UNL1111111111 0.3939 19 C 0.0476 2.5311 0.7494 C.3 1 UNL1111111111 -0.0286 20 CA 2.8026 -1.1390 1.0940 C.3 1 UNL1111111111 0.0069 21 C -3.6688 -1.3979 1.0051 C.3 1 UNL1111111111 0.1934 22 C -1.1846 -0.9799 -1.8808 C.ar 1 UNL1111111111 0.3032 23 C 1.1970 -1.2195 -1.9290 C.ar 1 UNL1111111111 -0.0673 24 C -0.0398 -1.4973 -2.4936 C.ar 1 UNL1111111111 -0.2613 25 C 1.3873 3.1516 0.3203 C.3 1 UNL1111111111 -0.3622 26 C -4.7866 -1.2492 -0.0178 C.3 1 UNL1111111111 -0.5109 27 C 2.9338 -2.5853 0.6259 C.2 1 UNL1111111111 0.5746 28 C 1.6358 2.9517 -1.1386 C.2 1 UNL1111111111 0.6344 29 H 2.7968 0.8265 0.1680 H 1 UNL1111111111 0.1863 30 H 3.4630 -0.4137 -0.8693 H 1 UNL1111111111 0.1622 31 H -1.9187 -0.3983 1.8105 H 1 UNL1111111111 0.1916 32 H -0.7272 2.7140 -0.0531 H 1 UNL1111111111 0.1980 33 HA 1.8970 -1.0432 1.7631 H 1 UNL1111111111 0.2050 34 H -4.0552 -1.7186 2.0043 H 1 UNL1111111111 0.1631 35 H 2.1006 -1.6326 -2.3804 H 1 UNL1111111111 0.1601 36 H -0.1185 -2.1137 -3.3847 H 1 UNL1111111111 0.1675 37 H 1.3556 4.2534 0.5283 H 1 UNL1111111111 0.2132 38 H 2.2320 2.7820 0.9433 H 1 UNL1111111111 0.1957 39 H -5.2815 -2.2150 -0.1864 H 1 UNL1111111111 0.1626 40 H -5.5535 -0.5436 0.3208 H 1 UNL1111111111 0.1608 41 H -4.4222 -0.8970 -0.9921 H 1 UNL1111111111 0.1673 42 H -3.0512 1.6881 2.1645 H 1 UNL1111111111 0.2417 43 H -4.4047 1.1921 1.3931 H 1 UNL1111111111 0.2633 44 H -1.3410 2.9598 2.2196 H 1 UNL1111111111 0.2534 45 H 0.2048 2.9629 2.7690 H 1 UNL1111111111 0.2674 46 H1 4.0478 -1.1296 2.7515 H 1 UNL1111111111 0.2639 47 H2 4.8484 -0.8848 1.3352 H 1 UNL1111111111 0.2669 48 H -2.5387 -2.3926 -0.2827 H 1 UNL1111111111 0.3232 49 H -2.4354 -1.7555 -3.1799 H 1 UNL1111111111 0.3421 50 H 1.7518 -4.0955 0.1572 H 1 UNL1111111111 0.3525 51 H 3.2059 2.7054 -2.3162 H 1 UNL1111111111 0.3568 @BOND 1 1 21 1 2 1 48 1 3 2 22 1 4 2 49 1 5 3 17 2 6 4 18 2 7 5 27 1 8 5 50 1 9 6 27 2 10 7 28 1 11 7 51 1 12 8 28 2 13 9 16 1 14 9 42 1 15 9 43 1 16 10 19 1 17 10 44 1 18 10 45 1 19 11 20 1 20 11 46 1 21 11 47 1 22 12 13 ar 23 12 14 ar 24 12 18 1 25 13 15 1 26 13 23 ar 27 14 17 1 28 14 22 ar 29 15 20 1 30 15 29 1 31 15 30 1 32 16 17 1 33 16 21 1 34 16 31 1 35 18 19 1 36 19 25 1 37 19 32 1 38 20 27 1 39 20 33 1 40 21 26 1 41 21 34 1 42 22 24 ar 43 23 24 ar 44 23 35 1 45 24 36 1 46 25 28 1 47 25 37 1 48 25 38 1 49 26 39 1 50 26 40 1 51 26 41 1