@MOLECULE n~6~-{(2r)-1-[(1r)-1-carboxy-2-methylpropoxy]-1,3-dioxo-3-sulfanyl-2-propanyl}-6-oxo-l-lysine 47 46 0 0 0 SMALL GASTEIGER @ATOM 1 C -5.6690 0.5259 -0.2097 C.2 1 UNL1111111111 0.5796 2 CA -4.7933 -0.5514 0.4211 C.3 1 UNL1111111111 -0.0010 3 C -3.6206 0.0969 1.1801 C.3 1 UNL1111111111 -0.2842 4 C -2.8082 1.0550 0.3038 C.3 1 UNL1111111111 -0.2569 5 C 2.0195 1.5645 -0.2987 C.3 1 UNL1111111111 -0.0734 6 C 1.5790 -2.0996 -0.4974 C.3 1 UNL1111111111 0.0370 7 C 0.2065 -2.7186 -0.1679 C.3 1 UNL1111111111 -0.0682 8 C -0.8226 -2.2291 -1.1870 C.3 1 UNL1111111111 -0.4620 9 C -1.5415 1.5325 1.0263 C.3 1 UNL1111111111 -0.3546 10 N -4.3110 -1.5098 -0.5825 N.3 1 UNL1111111111 -0.6313 11 O -5.9600 0.6466 -1.3696 O.2 1 UNL1111111111 -0.5074 12 OXT -6.1512 1.3708 0.7325 O.3 1 UNL1111111111 -0.5595 13 O 1.4667 -0.7213 -0.1568 O.3 1 UNL1111111111 -0.3857 14 C 2.6852 -2.6669 0.3716 C.2 1 UNL1111111111 0.5940 15 C -0.2308 -2.3591 1.2532 C.3 1 UNL1111111111 -0.4510 16 O 2.7622 -4.0102 0.1875 O.3 1 UNL1111111111 -0.5647 17 O 3.4272 -2.0923 1.1177 O.2 1 UNL1111111111 -0.4741 18 C -0.4024 1.6304 0.0403 C.2 1 UNL1111111111 0.5977 19 O -0.5360 1.7338 -1.1601 O.2 1 UNL1111111111 -0.5240 20 N 0.8729 1.6392 0.5967 N.am 1 UNL1111111111 -0.5922 21 O 2.9802 -0.1648 -1.7341 O.2 1 UNL1111111111 -0.4530 22 C 2.2507 0.1511 -0.8375 C.2 1 UNL1111111111 0.5599 23 C 3.2651 2.0018 0.4764 C.2 1 UNL1111111111 0.3904 24 O 3.2931 2.0249 1.6732 O.2 1 UNL1111111111 -0.3937 25 S 4.6635 2.4929 -0.5351 S.3 1 UNL1111111111 -0.1440 26 HA -5.4313 -1.1285 1.1523 H 1 UNL1111111111 0.1765 27 H -2.9680 -0.7139 1.5691 H 1 UNL1111111111 0.1624 28 H -4.0136 0.6341 2.0673 H 1 UNL1111111111 0.1611 29 H -2.5346 0.5653 -0.6558 H 1 UNL1111111111 0.1626 30 H -3.4226 1.9283 0.0045 H 1 UNL1111111111 0.1559 31 H 1.8250 2.2362 -1.1969 H 1 UNL1111111111 0.2291 32 H 1.8378 -2.2222 -1.5794 H 1 UNL1111111111 0.1847 33 H 0.3077 -3.8330 -0.2504 H 1 UNL1111111111 0.1609 34 H -0.5819 -2.5595 -2.2035 H 1 UNL1111111111 0.1492 35 H -0.8820 -1.1320 -1.2027 H 1 UNL1111111111 0.1606 36 H -1.8233 -2.6130 -0.9454 H 1 UNL1111111111 0.1621 37 H -1.7130 2.5269 1.4918 H 1 UNL1111111111 0.1784 38 H -1.2856 0.8545 1.8648 H 1 UNL1111111111 0.1651 39 H1 -3.5310 -1.1433 -1.1101 H 1 UNL1111111111 0.2619 40 H2 -5.0384 -1.7905 -1.2265 H 1 UNL1111111111 0.2688 41 HXT -6.7430 2.0772 0.3704 H 1 UNL1111111111 0.3580 42 H -0.3525 -1.2761 1.3730 H 1 UNL1111111111 0.1503 43 H -1.1927 -2.8269 1.4970 H 1 UNL1111111111 0.1533 44 H 0.4980 -2.6923 2.0009 H 1 UNL1111111111 0.1489 45 H 3.4836 -4.4422 0.7096 H 1 UNL1111111111 0.3601 46 H 1.0479 1.4004 1.5656 H 1 UNL1111111111 0.3325 47 H 5.5301 2.7654 0.4555 H 1 UNL1111111111 0.1799 @BOND 1 1 2 1 2 1 11 2 3 1 12 1 4 2 3 1 5 2 10 1 6 2 26 1 7 3 4 1 8 3 27 1 9 3 28 1 10 4 9 1 11 4 29 1 12 4 30 1 13 5 20 1 14 5 22 1 15 5 23 1 16 5 31 1 17 6 7 1 18 6 13 1 19 6 14 1 20 6 32 1 21 7 8 1 22 7 15 1 23 7 33 1 24 8 34 1 25 8 35 1 26 8 36 1 27 9 18 1 28 9 37 1 29 9 38 1 30 10 39 1 31 10 40 1 32 12 41 1 33 13 22 1 34 14 16 1 35 14 17 2 36 15 42 1 37 15 43 1 38 15 44 1 39 16 45 1 40 18 19 2 41 18 20 am 42 20 46 1 43 21 22 2 44 23 24 2 45 23 25 1 46 47 25 1