@MOLECULE n~2~,n~6~-bis(2,3-dihydroxybenzoyl)-l-lysine 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6110 0.7537 0.5800 O.3 1 UNK1111111111 -0.5527 2 O -5.1006 -0.8390 -0.9116 O.2 1 UNK1111111111 -0.4992 3 O -2.2935 -0.8466 1.8330 O.2 0 UNK0 -0.5266 4 O 1.3153 2.6957 1.8291 O.2 1 UNK1 -0.5005 5 O 0.6925 -1.2434 1.8105 O.3 0 UNK0 -0.4240 6 O 1.3452 0.2367 -1.1436 O.3 1 UNK1 -0.4423 7 O 2.4345 -3.0620 1.1396 O.3 0 UNK0 -0.4150 8 O 3.3748 -1.2049 -1.8923 O.3 1 UNK1 -0.4246 9 N -2.3770 -0.3280 -0.3674 N.am 1 UNK1 -0.5915 10 N 0.8700 3.1236 -0.3395 N.am 1 UNK1 -0.6154 11 C -3.2889 1.8146 -1.2255 C.3 1 UNK1 -0.3007 12 C -1.9244 2.5119 -1.2655 C.3 1 UNK1 -0.2530 13 C -3.3659 0.7168 -0.1473 C.3 1 UNK1 0.0356 14 C -1.5777 3.1783 0.0697 C.3 1 UNK1 -0.2981 15 C -0.2672 3.9853 -0.0051 C.3 1 UNK1 -0.0591 16 C -4.7578 0.0894 -0.2321 C.2 1 UNK1 0.5972 17 C -1.9442 -1.1035 0.6972 C.2 0 UNK0 0.5999 18 C 1.6107 2.5293 0.6649 C.2 1 UNK1 0.5856 19 C -0.9862 -2.1712 0.3396 C.ar 0 UNK0 -0.2488 20 C 2.7465 1.6957 0.1958 C.ar 1 UNK1 -0.2202 21 C 0.2786 -2.1656 0.9178 C.ar 0 UNK0 0.2584 22 C -1.3428 -3.1936 -0.5516 C.ar 0 UNK0 -0.1189 23 C 2.5488 0.6020 -0.6394 C.ar 1 UNK1 0.2292 24 C 4.0423 2.0171 0.6211 C.ar 1 UNK1 -0.1059 25 C 1.2181 -3.1609 0.5431 C.ar 0 UNK0 0.1900 26 C -0.4267 -4.1768 -0.8860 C.ar 0 UNK0 -0.1469 27 C 0.8700 -4.1585 -0.3512 C.ar 0 UNK0 -0.2288 28 C 3.6594 -0.1663 -1.0647 C.ar 1 UNK1 0.1935 29 C 5.1235 1.2632 0.1908 C.ar 1 UNK1 -0.1455 30 C 4.9435 0.1627 -0.6571 C.ar 1 UNK1 -0.2359 31 H -3.5223 1.3928 -2.2260 H 1 UNK1 0.1524 32 H -4.0849 2.5625 -1.0287 H 1 UNK1 0.1608 33 H -1.1339 1.7869 -1.5421 H 1 UNK1 0.1447 34 H -1.9266 3.2689 -2.0741 H 1 UNK1 0.1366 35 H -3.2226 1.1555 0.8846 H 1 UNK1 0.2060 36 H -2.3974 3.8461 0.3952 H 1 UNK1 0.1448 37 H -1.4726 2.4141 0.8674 H 1 UNK1 0.1658 38 H -0.0849 4.4799 0.9830 H 1 UNK1 0.1635 39 H -0.3426 4.7958 -0.7600 H 1 UNK1 0.1281 40 H -2.1657 -0.5770 -1.3214 H 1 UNK1 0.3247 41 H 1.1049 3.0237 -1.3149 H 1 UNK1 0.3150 42 H -6.5235 0.3742 0.6048 H 1 UNK1 0.3569 43 H -2.3495 -3.2154 -0.9686 H 0 UNK0 0.1636 44 H 4.1881 2.8593 1.2987 H 1 UNK1 0.1681 45 H -0.7101 -4.9735 -1.5698 H 0 UNK0 0.1558 46 H 1.5825 -4.9282 -0.6304 H 0 UNK0 0.1569 47 H 6.1287 1.5229 0.5171 H 1 UNK1 0.1567 48 H 5.7996 -0.4206 -0.9829 H 1 UNK1 0.1584 49 H -0.0820 -0.7864 2.2567 H 0 UNK0 0.3507 50 H 0.5952 0.5444 -0.5715 H 1 UNK1 0.3322 51 H 3.0513 -3.7570 0.8029 H 0 UNK0 0.3104 52 H 4.1871 -1.7230 -2.1123 H 1 UNK1 0.3119 @BOND 1 1 16 1 2 1 42 1 3 2 16 2 4 3 17 2 5 4 18 2 6 5 21 1 7 5 49 1 8 6 23 1 9 6 50 1 10 7 25 1 11 7 51 1 12 8 28 1 13 8 52 1 14 9 13 1 15 9 17 am 16 9 40 1 17 10 15 1 18 10 18 am 19 10 41 1 20 11 12 1 21 11 13 1 22 11 31 1 23 11 32 1 24 12 14 1 25 12 33 1 26 12 34 1 27 13 16 1 28 13 35 1 29 14 15 1 30 14 36 1 31 14 37 1 32 15 38 1 33 15 39 1 34 17 19 1 35 18 20 1 36 19 21 ar 37 19 22 ar 38 20 23 ar 39 20 24 ar 40 21 25 ar 41 22 26 ar 42 22 43 1 43 23 28 ar 44 24 29 ar 45 24 44 1 46 25 27 ar 47 26 27 ar 48 26 45 1 49 27 46 1 50 28 30 ar 51 29 30 ar 52 29 47 1 53 30 48 1