@MOLECULE s-[(2r)-2-methyl-1,1-diphenylbutyl]-l-cysteine 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 C1 2.5482 -1.5824 -0.5418 C.ar 1 <1> -0.1666 2 C2 2.9778 -2.8417 -0.9523 C.ar 1 <1> -0.1348 3 C3 2.0597 -3.8756 -1.1167 C.ar 1 <1> -0.1522 4 C4 0.7126 -3.6438 -0.8521 C.ar 1 <1> -0.1377 5 C5 0.2845 -2.3848 -0.4372 C.ar 1 <1> -0.1622 6 C6 1.1935 -1.3317 -0.2990 C.ar 1 <1> -0.0132 7 C7 0.7428 0.0309 0.1843 C.3 1 <1> -0.0118 8 S1 -0.6733 0.6657 -0.8734 S.3 1 <1> -0.0607 9 C8 -2.2235 -0.1724 -0.3737 C.3 1 <1> -0.3817 10 C9 -3.3942 0.8018 -0.5966 C.3 1 <1> 0.0198 11 C10 -4.6613 0.0316 -0.2282 C.2 1 <1> 0.6242 12 O1 -5.3815 -0.2344 -1.3439 O.3 1 <1> -0.5573 13 O2 -5.0105 -0.3494 0.8553 O.2 1 <1> -0.5031 14 N1 -3.4117 2.0070 0.2366 N.3 1 <1> -0.6341 15 C11 0.3657 -0.1328 1.6800 C.3 1 <1> -0.0960 16 C12 -0.4084 1.0454 2.2827 C.3 1 <1> -0.4567 17 C13 1.6223 -0.4434 2.5284 C.3 1 <1> -0.2651 18 C14 1.3098 -1.4615 3.6245 C.3 1 <1> -0.4332 19 C15 1.7253 1.1179 -0.1803 C.ar 1 <1> -0.0275 20 C16 2.1737 1.1953 -1.5104 C.ar 1 <1> -0.1489 21 C17 3.0471 2.2002 -1.9112 C.ar 1 <1> -0.1419 22 C18 3.4958 3.1466 -0.9911 C.ar 1 <1> -0.1435 23 C19 3.0681 3.0727 0.3303 C.ar 1 <1> -0.1470 24 C20 2.1918 2.0646 0.7315 C.ar 1 <1> -0.1521 25 H1 3.2896 -0.7938 -0.4039 H 1 <1> 0.1631 26 H2 4.0354 -3.0158 -1.1416 H 1 <1> 0.1507 27 H3 2.3930 -4.8578 -1.4424 H 1 <1> 0.1481 28 H4 -0.0109 -4.4494 -0.9651 H 1 <1> 0.1494 29 H5 -0.7700 -2.2491 -0.2125 H 1 <1> 0.1495 30 H6 -0.3022 -1.0350 1.7475 H 1 <1> 0.1480 31 H7 -2.3608 -1.0779 -0.9964 H 1 <1> 0.1725 32 H8 -2.1838 -0.5086 0.6785 H 1 <1> 0.1719 33 H9 -3.4496 1.1215 -1.6779 H 1 <1> 0.1892 34 H10 -3.3368 1.8034 1.2219 H 1 <1> 0.2634 35 H11 -2.7015 2.6724 -0.0295 H 1 <1> 0.2753 36 H12 -6.2300 -0.7108 -1.1705 H 1 <1> 0.3548 37 H13 -0.1230 2.0116 1.8528 H 1 <1> 0.1567 38 H14 -1.4895 0.9373 2.1471 H 1 <1> 0.1418 39 H15 -0.2411 1.1112 3.3660 H 1 <1> 0.1540 40 H16 2.4381 -0.8335 1.8896 H 1 <1> 0.1478 41 H17 2.0268 0.4813 2.9797 H 1 <1> 0.1409 42 H18 2.1785 -1.6203 4.2735 H 1 <1> 0.1426 43 H19 0.4793 -1.1324 4.2584 H 1 <1> 0.1446 44 H20 1.0396 -2.4360 3.2010 H 1 <1> 0.1448 45 H21 1.8471 0.4568 -2.2469 H 1 <1> 0.1678 46 H22 1.8834 2.0334 1.7757 H 1 <1> 0.1612 47 H23 3.3787 2.2472 -2.9468 H 1 <1> 0.1507 48 H24 4.1758 3.9348 -1.3049 H 1 <1> 0.1464 49 H25 3.4152 3.8036 1.0575 H 1 <1> 0.1479 @BOND 1 1 2 ar 2 1 6 ar 3 1 25 1 4 2 3 ar 5 2 26 1 6 3 4 ar 7 3 27 1 8 4 5 ar 9 4 28 1 10 5 6 ar 11 5 29 1 12 6 7 1 13 7 8 1 14 7 15 1 15 7 19 1 16 8 9 1 17 9 10 1 18 9 31 1 19 9 32 1 20 10 11 1 21 10 14 1 22 10 33 1 23 11 12 1 24 11 13 2 25 12 36 1 26 14 34 1 27 14 35 1 28 15 16 1 29 15 17 1 30 15 30 1 31 16 37 1 32 16 38 1 33 16 39 1 34 17 18 1 35 17 40 1 36 17 41 1 37 18 42 1 38 18 43 1 39 18 44 1 40 19 20 ar 41 19 24 ar 42 20 21 ar 43 20 45 1 44 21 22 ar 45 21 47 1 46 22 23 ar 47 22 48 1 48 23 24 ar 49 23 49 1 50 24 46 1