@MOLECULE n~6~-{(2r,3r)-1-[(1r)-1-carboxy-2-methylpropoxy]-1-oxo-3-sulfanyl-2-butanyl}-6-oxo-l-lysine 51 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.9139 -2.2772 -1.7915 O.2 1 UNL1111111111 -0.4661 2 C 4.0467 -2.2512 -0.6015 C.2 1 UNL1111111111 0.6121 3 O 4.4151 -3.3653 0.0882 O.3 1 UNL1111111111 -0.5715 4 C 3.8705 -1.1038 0.3775 C.3 1 UNL1111111111 0.0457 5 O 2.8711 -0.2859 -0.2242 O.3 1 UNL1111111111 -0.4270 6 C 1.7752 0.0448 0.5072 C.2 1 UNL1111111111 0.5616 7 O 1.5836 -0.3235 1.6305 O.2 1 UNL1111111111 -0.4660 8 C 0.8842 0.9188 -0.3795 C.3 1 UNL1111111111 0.0129 9 C 1.6557 2.1777 -0.8265 C.3 1 UNL1111111111 -0.1286 10 S 2.1660 3.1477 0.6692 S.3 1 UNL1111111111 -0.2283 11 C 0.8306 3.0034 -1.7959 C.3 1 UNL1111111111 -0.4567 12 N -0.3470 1.2200 0.3319 N.am 1 UNL1111111111 -0.6070 13 C -1.5015 0.5145 0.0103 C.2 1 UNL1111111111 0.5938 14 O -1.4975 -0.2694 -0.9143 O.2 1 UNL1111111111 -0.5189 15 C -2.7171 0.8409 0.8438 C.3 1 UNL1111111111 -0.3571 16 C -3.8715 -0.0704 0.4126 C.3 1 UNL1111111111 -0.2486 17 C -5.1278 0.2186 1.2366 C.3 1 UNL1111111111 -0.2813 18 CA -6.3052 -0.7060 0.8754 C.3 1 UNL1111111111 -0.0018 19 N -6.0548 -2.0781 1.3308 N.3 1 UNL1111111111 -0.6230 20 C -6.5785 -0.6579 -0.6246 C.2 1 UNL1111111111 0.5780 21 O -6.6558 -1.5881 -1.3819 O.2 1 UNL1111111111 -0.5081 22 OXT -6.7804 0.6137 -1.0459 O.3 1 UNL1111111111 -0.5593 23 C 5.1398 -0.2347 0.4877 C.3 1 UNL1111111111 -0.0820 24 C 6.2053 -0.9861 1.2847 C.3 1 UNL1111111111 -0.4587 25 C 5.6575 0.1676 -0.8930 C.3 1 UNL1111111111 -0.4518 26 H 4.5338 -4.1649 -0.4799 H 1 UNL1111111111 0.3563 27 H 3.5406 -1.4774 1.3796 H 1 UNL1111111111 0.1867 28 H 0.6339 0.3095 -1.3124 H 1 UNL1111111111 0.2221 29 H 2.6041 1.8469 -1.3287 H 1 UNL1111111111 0.1818 30 H -0.1077 3.3658 -1.3533 H 1 UNL1111111111 0.1630 31 H 0.5367 2.4018 -2.6725 H 1 UNL1111111111 0.1703 32 H 1.3766 3.8698 -2.1894 H 1 UNL1111111111 0.1512 33 H -0.2764 1.7833 1.1660 H 1 UNL1111111111 0.3267 34 H -2.9948 1.9068 0.7142 H 1 UNL1111111111 0.1680 35 H -2.5007 0.7051 1.9231 H 1 UNL1111111111 0.1702 36 H -3.5606 -1.1306 0.5160 H 1 UNL1111111111 0.1576 37 H -4.0712 0.0681 -0.6711 H 1 UNL1111111111 0.1611 38 H -4.9102 0.1020 2.3194 H 1 UNL1111111111 0.1636 39 H -5.4415 1.2726 1.0930 H 1 UNL1111111111 0.1557 40 HA -7.2330 -0.3389 1.4029 H 1 UNL1111111111 0.1730 41 H1 -5.1580 -2.4242 1.0202 H 1 UNL1111111111 0.2631 42 H2 -6.7726 -2.7204 1.0232 H 1 UNL1111111111 0.2650 43 HXT -6.9676 0.6861 -2.0160 H 1 UNL1111111111 0.3571 44 H 4.8549 0.6959 1.0444 H 1 UNL1111111111 0.1571 45 H 5.8845 -1.1727 2.3170 H 1 UNL1111111111 0.1514 46 H 7.1382 -0.4128 1.3319 H 1 UNL1111111111 0.1511 47 H 6.4433 -1.9596 0.8369 H 1 UNL1111111111 0.1579 48 H 4.8503 0.5810 -1.5141 H 1 UNL1111111111 0.1602 49 H 6.0741 -0.6848 -1.4433 H 1 UNL1111111111 0.1534 50 H 6.4419 0.9273 -0.8191 H 1 UNL1111111111 0.1450 51 H 2.0404 4.3891 0.1838 H 1 UNL1111111111 0.1691 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 26 1 5 4 5 1 6 4 23 1 7 4 27 1 8 5 6 1 9 6 7 2 10 6 8 1 11 8 9 1 12 8 12 1 13 8 28 1 14 9 10 1 15 9 11 1 16 9 29 1 17 11 30 1 18 11 31 1 19 11 32 1 20 12 13 am 21 12 33 1 22 13 14 2 23 13 15 1 24 15 16 1 25 15 34 1 26 15 35 1 27 16 17 1 28 16 36 1 29 16 37 1 30 17 18 1 31 17 38 1 32 17 39 1 33 18 19 1 34 18 20 1 35 18 40 1 36 19 41 1 37 19 42 1 38 20 21 2 39 20 22 1 40 22 43 1 41 23 24 1 42 23 25 1 43 23 44 1 44 24 45 1 45 24 46 1 46 24 47 1 47 25 48 1 48 25 49 1 49 25 50 1 50 51 10 1