@MOLECULE 5-oxo-l-prolyl-d-tyrosyl-l-prolinamide 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2557 0.7577 1.8091 O.2 1 UNL1111111111 -0.5455 2 O 3.9541 1.8606 -0.7888 O.2 1 UNL1111111111 -0.4932 3 O -0.9262 1.3336 -1.1746 O.2 1 UNL1111111111 -0.5063 4 O -4.5244 3.4345 -1.6883 O.2 1 UNL1111111111 -0.4991 5 O -4.3527 -4.1605 -0.7804 O.3 1 UNL1111111111 -0.4706 6 N 2.9221 -0.5542 0.1073 N.am 1 UNL1111111111 -0.4866 7 N -0.3243 0.9096 0.9623 N.am 1 UNL1111111111 -0.5914 8 N -2.4743 3.4979 -0.6634 N.am 1 UNL1111111111 -0.5846 9 N 5.9809 1.5878 0.1417 N.am 1 UNL1111111111 -0.7039 10 C 4.3378 -0.2574 0.3391 C.3 1 UNL1111111111 0.0142 11 C 5.0862 -1.2989 -0.5214 C.3 1 UNL1111111111 -0.2833 12 C 2.7172 -1.1773 -1.2132 C.3 1 UNL1111111111 -0.0570 13 C 4.1154 -1.6612 -1.6618 C.3 1 UNL1111111111 -0.2732 14 C 0.4738 -0.2467 0.5531 C.3 1 UNL1111111111 0.0250 15 C 1.9503 0.0723 0.8526 C.2 1 UNL1111111111 0.5447 16 C -1.8106 2.8530 0.4740 C.3 1 UNL1111111111 0.0065 17 C 4.6979 1.1573 -0.1452 C.2 1 UNL1111111111 0.5526 18 C 0.0960 -1.4956 1.3870 C.3 1 UNL1111111111 -0.2975 19 C -2.9745 2.3797 1.3894 C.3 1 UNL1111111111 -0.2745 20 C -0.9682 1.6564 -0.0086 C.2 1 UNL1111111111 0.5347 21 C -4.2094 2.3406 0.4775 C.3 1 UNL1111111111 -0.3607 22 C -1.0712 -2.2168 0.7877 C.ar 1 UNL1111111111 -0.0591 23 C -3.8177 3.1259 -0.7621 C.2 1 UNL1111111111 0.5971 24 C -2.3746 -1.8534 1.1490 C.ar 1 UNL1111111111 -0.0874 25 C -0.8689 -3.2519 -0.1267 C.ar 1 UNL1111111111 -0.0916 26 C -3.4711 -2.5114 0.6096 C.ar 1 UNL1111111111 -0.2411 27 C -1.9518 -3.9299 -0.6829 C.ar 1 UNL1111111111 -0.3009 28 C -3.2381 -3.5475 -0.3024 C.ar 1 UNL1111111111 0.2859 29 H 4.5582 -0.3497 1.4329 H 1 UNL1111111111 0.1715 30 H 6.0421 -0.9106 -0.9115 H 1 UNL1111111111 0.1517 31 H 5.3392 -2.1911 0.0758 H 1 UNL1111111111 0.1496 32 H 2.0009 -2.0195 -1.1179 H 1 UNL1111111111 0.1386 33 H 2.2942 -0.4440 -1.9380 H 1 UNL1111111111 0.1577 34 H 4.1176 -2.7456 -1.8590 H 1 UNL1111111111 0.1443 35 H 4.4146 -1.1711 -2.6058 H 1 UNL1111111111 0.1528 36 H 0.3056 -0.4554 -0.5381 H 1 UNL1111111111 0.1964 37 H -1.1516 3.5965 0.9865 H 1 UNL1111111111 0.1661 38 H -0.1205 -1.1930 2.4334 H 1 UNL1111111111 0.1658 39 H 0.9753 -2.1689 1.4680 H 1 UNL1111111111 0.1595 40 H -0.1284 1.2707 1.8848 H 1 UNL1111111111 0.3259 41 H -3.1213 3.0893 2.2241 H 1 UNL1111111111 0.1528 42 H -2.7712 1.3972 1.8472 H 1 UNL1111111111 0.1555 43 H -5.1063 2.7761 0.9498 H 1 UNL1111111111 0.1729 44 H -4.4782 1.3043 0.1901 H 1 UNL1111111111 0.1799 45 H -1.9314 3.7704 -1.4662 H 1 UNL1111111111 0.3318 46 H 6.2780 2.4915 -0.1724 H 1 UNL1111111111 0.3160 47 H 6.6082 1.0866 0.7257 H 1 UNL1111111111 0.3008 48 H -2.5301 -1.0379 1.8544 H 1 UNL1111111111 0.1519 49 H 0.1434 -3.5359 -0.4098 H 1 UNL1111111111 0.1461 50 H -4.4899 -2.2447 0.8754 H 1 UNL1111111111 0.1747 51 H -1.7941 -4.7334 -1.3934 H 1 UNL1111111111 0.1578 52 H -4.1367 -4.8694 -1.4330 H 1 UNL1111111111 0.3267 @BOND 1 1 15 2 2 2 17 2 3 3 20 2 4 4 23 2 5 5 28 1 6 5 52 1 7 6 10 1 8 6 12 1 9 6 15 am 10 7 14 1 11 7 20 am 12 7 40 1 13 8 16 1 14 8 23 am 15 8 45 1 16 9 17 am 17 9 46 1 18 9 47 1 19 10 11 1 20 10 17 1 21 10 29 1 22 11 13 1 23 11 30 1 24 11 31 1 25 12 13 1 26 12 32 1 27 12 33 1 28 13 34 1 29 13 35 1 30 14 15 1 31 14 18 1 32 14 36 1 33 16 19 1 34 16 20 1 35 16 37 1 36 18 22 1 37 18 38 1 38 18 39 1 39 19 21 1 40 19 41 1 41 19 42 1 42 21 23 1 43 21 43 1 44 21 44 1 45 22 24 ar 46 22 25 ar 47 24 26 ar 48 24 48 1 49 25 27 ar 50 25 49 1 51 26 28 ar 52 26 50 1 53 27 28 ar 54 27 51 1