@MOLECULE (2S)-2-amino-4-[bis(3-sulfanylpropyl)amino]-4-oxo-butanoic acid 37 36 0 0 0 SMALL GASTEIGER @ATOM 1 C1 3.7512 -2.1032 0.0837 C.2 1 <1> 0.5787 2 N1 1.6909 -3.1205 0.9710 N.3 1 <1> -0.6327 3 C2 2.2369 -2.2240 -0.0518 C.3 1 <1> 0.0227 4 C3 1.6029 -0.8268 0.1127 C.3 1 <1> -0.3584 5 C4 0.2596 -0.8063 -0.5893 C.2 1 <1> 0.6104 6 O1 -0.0213 -1.5919 -1.4738 O.2 1 <1> -0.5425 7 N2 -0.6648 0.1531 -0.2137 N.am 1 <1> -0.5210 8 O2 4.4542 -2.6421 0.8975 O.2 1 <1> -0.5129 9 C5 -1.9851 0.1566 -0.8544 C.3 1 <1> -0.0619 10 C6 -0.3609 1.2709 0.6742 C.3 1 <1> -0.0594 11 C7 0.3183 2.4242 -0.1018 C.3 1 <1> -0.2997 12 C8 0.6613 3.5520 0.8618 C.3 1 <1> -0.3103 13 S1 1.4502 4.9206 -0.0854 S.3 1 <1> -0.1873 14 C9 -3.0282 -0.4918 0.0835 C.3 1 <1> -0.2948 15 C10 -4.3841 -0.5190 -0.6095 C.3 1 <1> -0.3064 16 S2 -5.6326 -1.2230 0.5480 S.3 1 <1> -0.1953 17 H1 1.5951 -4.0689 0.6482 H 1 <1> 0.2667 18 H2 2.2170 -3.1055 1.8317 H 1 <1> 0.2698 19 H3 1.9925 -2.6187 -1.0847 H 1 <1> 0.2050 20 H4 1.4975 -0.5931 1.1922 H 1 <1> 0.1772 21 H5 2.2536 -0.0422 -0.3292 H 1 <1> 0.1820 22 H6 -2.2799 1.1958 -1.1133 H 1 <1> 0.1306 23 H7 -1.9335 -0.4142 -1.8152 H 1 <1> 0.1724 24 H8 -1.3020 1.6345 1.1479 H 1 <1> 0.1448 25 H9 0.2876 0.9311 1.5134 H 1 <1> 0.1429 26 H10 1.2222 2.0455 -0.6210 H 1 <1> 0.1604 27 H11 -0.3572 2.7708 -0.9106 H 1 <1> 0.1603 28 H12 -0.2460 3.9277 1.3687 H 1 <1> 0.1539 29 H13 1.3528 3.2013 1.6493 H 1 <1> 0.1544 30 H14 1.6787 5.7769 0.9174 H 1 <1> 0.1552 31 H15 -2.6871 -1.5173 0.3458 H 1 <1> 0.1732 32 H16 -3.0679 0.0615 1.0413 H 1 <1> 0.1503 33 H17 -4.6962 0.4971 -0.9104 H 1 <1> 0.1518 34 H18 -4.3382 -1.1326 -1.5284 H 1 <1> 0.1586 35 H19 -6.6660 -1.3417 -0.2934 H 1 <1> 0.1558 36 O3 4.2646 -1.2817 -0.8608 O.3 1 <1> -0.5522 37 H20 5.2492 -1.1869 -0.8173 H 1 <1> 0.3577 @BOND 1 1 3 1 2 1 8 2 3 1 36 1 4 2 17 1 5 2 18 1 6 3 2 1 7 3 4 1 8 3 19 1 9 4 5 1 10 4 20 1 11 4 21 1 12 5 7 am 13 6 5 2 14 7 9 1 15 7 10 1 16 9 14 1 17 9 22 1 18 9 23 1 19 10 11 1 20 10 24 1 21 10 25 1 22 11 12 1 23 11 26 1 24 11 27 1 25 12 28 1 26 12 29 1 27 13 12 1 28 13 30 1 29 14 15 1 30 14 31 1 31 14 32 1 32 15 33 1 33 15 34 1 34 16 15 1 35 16 35 1 36 36 37 1