@MOLECULE (r)-s-benzylcysteine 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 S1 -1.1396 2.0441 -0.2855 S.3 1 <1> 0.0045 2 O1 -0.1651 -1.4539 -1.1923 O.3 1 <1> -0.5328 3 O2 -0.6897 -1.8450 0.9471 O.2 1 <1> -0.5221 4 N1 -3.3558 -1.4230 -0.1677 N.3 1 <1> -0.6369 5 C1 -2.2134 -0.5386 -0.4424 C.3 1 <1> 0.0015 6 C2 -2.1922 0.7313 0.4285 C.3 1 <1> -0.3947 7 C3 0.3678 2.0805 0.7598 C.3 1 <1> -0.3389 8 C4 1.3098 0.9840 0.4058 C.ar 1 <1> -0.0060 9 C5 1.9830 0.9937 -0.8196 C.ar 1 <1> -0.1491 10 C6 1.5328 -0.0604 1.3066 C.ar 1 <1> -0.1604 11 C7 -0.9693 -1.3555 -0.1160 C.2 1 <1> 0.6342 12 C8 2.8570 -0.0415 -1.1448 C.ar 1 <1> -0.1455 13 C9 2.4112 -1.0915 0.9802 C.ar 1 <1> -0.1350 14 C10 3.0707 -1.0863 -0.2468 C.ar 1 <1> -0.1778 15 H1 -2.2336 -0.2872 -1.5415 H 1 <1> 0.1927 16 H2 -3.2128 1.1561 0.5026 H 1 <1> 0.1730 17 H3 -1.8880 0.4923 1.4653 H 1 <1> 0.1764 18 H4 0.0951 2.0690 1.8329 H 1 <1> 0.1670 19 H5 0.8291 3.0769 0.5831 H 1 <1> 0.1809 20 H6 1.8217 1.8045 -1.5273 H 1 <1> 0.1578 21 H7 1.0118 -0.0829 2.2635 H 1 <1> 0.1594 22 H8 -4.2363 -0.9962 -0.3996 H 1 <1> 0.2614 23 H9 -3.3718 -1.7565 0.7848 H 1 <1> 0.2676 24 H10 3.3758 -0.0310 -2.1021 H 1 <1> 0.1514 25 H11 2.5747 -1.9033 1.6882 H 1 <1> 0.1590 26 H12 3.7607 -1.8890 -0.4979 H 1 <1> 0.1531 27 H13 0.7171 -1.8703 -0.9937 H 1 <1> 0.3593 @BOND 1 24 12 1 2 15 5 1 3 20 9 1 4 2 27 1 5 2 11 1 6 12 9 ar 7 12 14 ar 8 9 8 ar 9 26 14 1 10 5 4 1 11 5 11 1 12 5 6 1 13 22 4 1 14 1 6 1 15 1 7 1 16 14 13 ar 17 4 23 1 18 11 3 2 19 8 7 1 20 8 10 ar 21 6 16 1 22 6 17 1 23 19 7 1 24 7 18 1 25 13 10 ar 26 13 25 1 27 10 21 1