@MOLECULE (2R)-2-amino-3-[(2-aminophenyl)disulfanyl]propanoic acid 27 27 0 0 0 SMALL USER_CHARGES @ATOM 1 O1 3.3168 -1.9535 0.5273 O.2 1 <1> -0.4951 2 C1 3.5702 -0.7917 0.3674 C.2 1 <1> 0.6255 3 C2 2.6640 0.3103 -0.1845 C.3 1 <1> 0.0124 4 N1 2.2659 -0.1656 -1.5126 N.3 1 <1> -0.6352 5 C3 1.5318 0.4921 0.8366 C.3 1 <1> -0.4091 6 S1 0.4298 1.8923 0.4515 S.3 1 <1> 0.0031 7 S2 -0.8842 1.3598 -0.9644 S.3 1 <1> -0.0070 8 C4 -2.0912 0.3101 -0.2576 C.ar 1 <1> -0.3135 9 C5 -3.1115 0.8672 0.5209 C.ar 1 <1> -0.0091 10 C6 -4.0938 0.0670 1.0829 C.ar 1 <1> -0.2702 11 C7 -4.0657 -1.3181 0.8722 C.ar 1 <1> -0.0160 12 C8 -3.0744 -1.8947 0.1021 C.ar 1 <1> -0.3169 13 C9 -2.0680 -1.0830 -0.4806 C.ar 1 <1> 0.3159 14 N2 -1.0815 -1.6985 -1.2219 N.pl3 1 <1> -0.6232 15 O2 4.7688 -0.2660 0.7188 O.3 1 <1> -0.5600 16 H1 5.4136 -0.9318 1.0626 H 1 <1> 0.3555 17 H2 3.2576 1.2611 -0.3050 H 1 <1> 0.1876 18 H3 1.6103 -0.9273 -1.4664 H 1 <1> 0.2596 19 H4 1.9119 0.5699 -2.1037 H 1 <1> 0.2736 20 H5 0.9566 -0.4478 0.9617 H 1 <1> 0.1836 21 H6 1.9502 0.7114 1.8429 H 1 <1> 0.1865 22 H7 -3.1416 1.9473 0.6962 H 1 <1> 0.1605 23 H8 -4.8823 0.5067 1.6864 H 1 <1> 0.1608 24 H9 -4.8379 -1.9444 1.3232 H 1 <1> 0.1501 25 H10 -3.0584 -2.9687 -0.0585 H 1 <1> 0.1660 26 H11 -0.4263 -1.1748 -1.7561 H 1 <1> 0.3055 27 H12 -1.1433 -2.6744 -1.4242 H 1 <1> 0.3092 @BOND 1 19 4 1 2 26 14 1 3 4 18 1 4 4 3 1 5 27 14 1 6 14 13 1 7 7 8 1 8 7 6 1 9 13 8 ar 10 13 12 ar 11 17 3 1 12 8 9 ar 13 3 2 1 14 3 5 1 15 25 12 1 16 12 11 ar 17 2 1 2 18 2 15 1 19 6 5 1 20 9 22 1 21 9 10 ar 22 15 16 1 23 5 20 1 24 5 21 1 25 11 10 ar 26 11 24 1 27 10 23 1