@MOLECULE n-formyl-4-(methylsulfinyl)-l-leucyl-n-(2-aminobutanoyl)-l-phenylalanine 62 62 0 0 0 SMALL GASTEIGER @ATOM 1 S -4.2557 0.9698 0.0066 S.O 1 UNK1111111111 1.0536 2 O 0.6147 -1.5666 1.9015 O.2 1 UNK1111111111 -0.5120 3 O -3.3104 2.0890 -0.2513 O.2 1 UNK1111111111 -0.8129 4 O -0.0137 0.2395 -1.5836 O.2 1 UNK1111111111 -0.5038 5 O 3.1017 -2.3715 0.8375 O.3 2 PHE2222222222 -0.5446 6 OXT 3.5597 -1.2999 2.7456 O.2 2 PHE2222222222 -0.4876 7 O -0.3095 -3.9715 -1.2171 O.2 0 UNK0 -0.5213 8 N 1.3421 -0.4326 0.0990 N.am 2 PHE2 -0.5511 9 N -1.2610 -2.9640 0.5700 N.am 1 UNK1 -0.5997 10 N 1.9045 1.8949 -2.7352 N.3 1 UNK1 -0.6325 11 C -3.2724 -0.6084 -0.3444 C.3 1 UNK1 -0.0715 12 C -1.9679 -0.5680 0.4560 C.3 1 UNK1 -0.3229 13 C -0.9246 -1.6341 0.0670 C.3 1 UNK1 0.0353 14 C -4.1328 -1.8130 0.0198 C.3 1 UNK1 -0.4639 15 C -3.0067 -0.5781 -1.8447 C.3 1 UNK1 -0.4607 16 C 0.3805 -1.2153 0.7650 C.2 1 UNK1 0.5614 17 CA 2.5311 -0.0721 0.8949 C.3 2 PHE2 0.0411 18 CB 2.1943 1.0292 1.9283 C.3 2 PHE2 -0.3136 19 C 1.1161 0.1682 -1.1639 C.2 1 UNK1 0.5531 20 C 2.2931 0.6770 -2.0167 C.3 1 UNK1 0.0117 21 C -4.3763 0.9066 1.8279 C.3 1 UNK1 -0.6671 22 C 3.0861 -1.2838 1.6435 C.2 2 PHE2 0.6276 23 C 2.6258 -0.4386 -3.0300 C.3 1 UNK1 -0.2594 24 CG 1.5731 2.2051 1.2427 C.ar 2 PHE2 0.0105 25 C -0.8353 -4.0822 -0.1299 C.2 0 UNK0 0.4712 26 C 3.1167 -1.7057 -2.3420 C.3 1 UNK1 -0.4478 27 CD1 2.3694 3.1429 0.5835 C.ar 2 PHE2 -0.1961 28 CD2 0.1829 2.3374 1.2187 C.ar 2 PHE2 -0.1764 29 CE1 1.7728 4.1887 -0.1184 C.ar 2 PHE2 -0.1468 30 CE2 -0.4124 3.3631 0.4889 C.ar 2 PHE2 -0.1117 31 CZ 0.3838 4.2902 -0.1815 C.ar 2 PHE2 -0.1698 32 H -1.4887 0.4345 0.2869 H 1 UNK1 0.1938 33 H -2.1690 -0.6407 1.5433 H 1 UNK1 0.1471 34 H -0.8001 -1.6905 -1.0544 H 1 UNK1 0.2168 35 H -4.2805 -1.9276 1.0981 H 1 UNK1 0.1385 36 H -5.1177 -1.7919 -0.4610 H 1 UNK1 0.1456 37 H -3.6477 -2.7400 -0.3272 H 1 UNK1 0.1670 38 H -2.3516 0.2653 -2.1288 H 1 UNK1 0.1841 39 H -3.9205 -0.5053 -2.4442 H 1 UNK1 0.1441 40 H -2.4902 -1.4883 -2.1817 H 1 UNK1 0.1584 41 HA 3.3477 0.2903 0.2066 H 2 PHE2 0.1718 42 H -1.5552 -3.0203 1.5333 H 1 UNK1 0.3162 43 HB1 1.5209 0.6145 2.7133 H 2 PHE2 0.1885 44 HB2 3.1141 1.3149 2.4816 H 2 PHE2 0.1759 45 H 3.1959 0.9161 -1.3979 H 1 UNK1 0.1573 46 H -4.7051 -0.0657 2.1900 H 1 UNK1 0.1614 47 H -3.4265 1.1594 2.3113 H 1 UNK1 0.1790 48 H -5.0997 1.6570 2.1601 H 1 UNK1 0.1720 49 H 3.3906 -0.0529 -3.7333 H 1 UNK1 0.1588 50 H 1.7384 -0.6616 -3.6564 H 1 UNK1 0.1550 51 H -1.0469 -5.0512 0.3443 H 0 UNK0 0.1328 52 H 1.0844 1.7536 -3.3104 H 1 UNK1 0.2692 53 H 1.7290 2.6698 -2.1083 H 1 UNK1 0.2657 54 H 3.4589 -2.4459 -3.0748 H 1 UNK1 0.1480 55 H 2.3246 -2.1966 -1.7559 H 1 UNK1 0.1682 56 H 3.9499 -1.5145 -1.6571 H 1 UNK1 0.1459 57 HD1 3.4527 3.0657 0.6215 H 2 PHE2 0.1498 58 HD2 -0.4421 1.6331 1.7637 H 2 PHE2 0.1504 59 H 3.4043 -3.1954 1.2962 H 2 PHE2 0.3562 60 HE1 2.3940 4.9271 -0.6225 H 2 PHE2 0.1479 61 HE2 -1.5055 3.4251 0.4258 H 2 PHE2 0.1882 62 HZ -0.0823 5.0931 -0.7490 H 2 PHE2 0.1542 @BOND 1 1 3 2 2 1 11 1 3 1 21 1 4 2 16 2 5 4 19 2 6 5 22 1 7 5 59 1 8 6 22 2 9 7 25 2 10 8 16 am 11 8 17 1 12 8 19 am 13 9 13 1 14 9 25 am 15 9 42 1 16 10 20 1 17 10 52 1 18 10 53 1 19 11 12 1 20 11 14 1 21 11 15 1 22 12 13 1 23 12 32 1 24 12 33 1 25 13 16 1 26 13 34 1 27 14 35 1 28 14 36 1 29 14 37 1 30 15 38 1 31 15 39 1 32 15 40 1 33 17 18 1 34 17 22 1 35 17 41 1 36 18 24 1 37 18 43 1 38 18 44 1 39 19 20 1 40 20 23 1 41 20 45 1 42 21 46 1 43 21 47 1 44 21 48 1 45 23 26 1 46 23 49 1 47 23 50 1 48 24 27 ar 49 24 28 ar 50 25 51 1 51 26 54 1 52 26 55 1 53 26 56 1 54 27 29 ar 55 27 57 1 56 28 30 ar 57 28 58 1 58 29 31 ar 59 29 60 1 60 30 31 ar 61 30 61 1 62 31 62 1