@MOLECULE methyl n~6~-acetyl-n~2~-(2,3-dihydroxybenzoyl)-n~6~-hydroxylysyl-n~6~-acetyl-n~6~-hydroxy-l-lysinate 74 74 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.2832 -1.4621 0.4254 C.ar 1 UNL1111111111 -0.2569 2 N 2.5215 -0.9223 -1.2001 N.am 1 UNL1111111111 -0.5690 3 O 3.7199 -1.6090 2.7802 O.3 1 UNL1111111111 -0.4966 4 C 4.5676 -1.7867 1.7530 C.ar 1 UNL1111111111 0.2485 5 N -1.1262 -1.5455 -1.3095 N.am 1 UNL1111111111 -0.6080 6 O 6.1360 -2.6833 3.3736 O.3 1 UNL1111111111 -0.4484 7 C 5.8260 -2.3459 2.0970 C.ar 1 UNL1111111111 0.1772 8 O 2.2322 -0.4375 0.9980 O.2 1 UNL1111111111 -0.5744 9 C 6.7884 -2.5582 1.1257 C.ar 1 UNL1111111111 -0.1660 10 N -6.2768 1.5181 1.7087 N.am 1 UNL1111111111 -0.3129 11 C 6.5052 -2.2042 -0.2013 C.ar 1 UNL1111111111 -0.1690 12 C 5.2784 -1.6628 -0.5464 C.ar 1 UNL1111111111 -0.1174 13 O 0.5703 -2.4683 -0.1352 O.2 1 UNL1111111111 -0.4881 14 C 2.9427 -0.9144 0.1196 C.2 1 UNL1111111111 0.6401 15 O -2.5516 -4.8047 -1.1594 O.3 1 UNL1111111111 -0.4004 16 O -6.3111 2.3971 0.6033 O.3 1 UNL1111111111 -0.3454 17 O -7.4887 -0.2735 2.3868 O.2 1 UNL1111111111 -0.4831 18 O -1.8963 -3.6537 -2.9818 O.2 1 UNL1111111111 -0.5038 19 C 1.1434 -0.5769 -1.5483 C.3 1 UNL1111111111 0.0282 20 C 0.7425 0.8352 -1.0820 C.3 1 UNL1111111111 -0.2930 21 C 0.1998 -1.6250 -0.9174 C.2 1 UNL1111111111 0.5380 22 C -2.0830 -2.5273 -0.8108 C.3 1 UNL1111111111 0.0295 23 C 1.5525 1.9092 -1.8141 C.3 1 UNL1111111111 -0.2597 24 C 1.2904 3.2824 -1.1881 C.3 1 UNL1111111111 -0.3042 25 C -2.1456 -3.6897 -1.8067 C.2 1 UNL1111111111 0.5535 26 C -3.4910 -1.9174 -0.6962 C.3 1 UNL1111111111 -0.2944 27 C -3.5439 -0.8748 0.4262 C.3 1 UNL1111111111 -0.2519 28 C -4.9067 -0.1773 0.4371 C.3 1 UNL1111111111 -0.3104 29 C -5.0172 0.7563 1.6532 C.3 1 UNL1111111111 -0.1009 30 C -7.4913 0.7619 1.7634 C.2 1 UNL1111111111 0.5770 31 C -8.7145 1.3785 1.1662 C.3 1 UNL1111111111 -0.5191 32 H 3.0236 -1.4726 -1.8823 H 1 UNL1111111111 0.3135 33 H 2.8693 -1.1399 2.4554 H 1 UNL1111111111 0.3965 34 H -1.4360 -0.9464 -2.0565 H 1 UNL1111111111 0.3176 35 H 5.3859 -2.4553 3.9886 H 1 UNL1111111111 0.3454 36 H 7.2684 -2.3566 -0.9625 H 1 UNL1111111111 0.1555 37 H 5.0949 -1.3762 -1.5800 H 1 UNL1111111111 0.1471 38 C -2.6209 -5.9985 -1.9336 C.3 1 UNL1111111111 -0.1695 39 H -6.2555 3.2983 1.0349 H 1 UNL1111111111 0.3015 40 H 1.0534 -0.6363 -2.6686 H 1 UNL1111111111 0.1539 41 H -0.3390 0.9982 -1.2415 H 1 UNL1111111111 0.1418 42 H 0.8930 0.9296 0.0183 H 1 UNL1111111111 0.1958 43 H -1.7352 -2.9149 0.1938 H 1 UNL1111111111 0.2066 44 H 2.6349 1.6725 -1.7514 H 1 UNL1111111111 0.1567 45 H 1.2999 1.9192 -2.8895 H 1 UNL1111111111 0.1307 46 C 2.0439 4.3728 -1.9665 C.3 1 UNL1111111111 -0.1060 47 H 0.2076 3.5080 -1.1733 H 1 UNL1111111111 0.1498 48 H 1.6158 3.2808 -0.1280 H 1 UNL1111111111 0.1580 49 H -3.7989 -1.4655 -1.6589 H 1 UNL1111111111 0.1501 50 H -4.2254 -2.7253 -0.4943 H 1 UNL1111111111 0.1638 51 H -3.3536 -1.3625 1.4035 H 1 UNL1111111111 0.1505 52 H -2.7329 -0.1306 0.2998 H 1 UNL1111111111 0.1497 53 H -5.0553 0.3993 -0.4957 H 1 UNL1111111111 0.1490 54 H -5.7218 -0.9278 0.4674 H 1 UNL1111111111 0.1552 55 H -4.1756 1.4842 1.6653 H 1 UNL1111111111 0.1525 56 H -4.9646 0.1680 2.6030 H 1 UNL1111111111 0.1726 57 H -9.5888 0.7219 1.2981 H 1 UNL1111111111 0.1831 58 H -8.9489 2.3453 1.6348 H 1 UNL1111111111 0.1813 59 H -8.5888 1.5643 0.0886 H 1 UNL1111111111 0.1836 60 N 1.9335 5.7156 -1.3703 N.am 1 UNL1111111111 -0.3132 61 C 2.5858 5.9207 -0.1111 C.2 1 UNL1111111111 0.5772 62 O 0.5632 6.0400 -1.2573 O.3 1 UNL1111111111 -0.3457 63 O 3.6558 5.3877 0.0630 O.2 1 UNL1111111111 -0.4770 64 C 1.9678 6.8956 0.8380 C.3 1 UNL1111111111 -0.5185 65 H -3.3038 -5.8677 -2.7790 H 1 UNL1111111111 0.1392 66 H -1.6208 -6.2713 -2.2868 H 1 UNL1111111111 0.1420 67 H -3.0048 -6.7332 -1.2153 H 1 UNL1111111111 0.1507 68 H 3.1354 4.1355 -2.0199 H 1 UNL1111111111 0.1736 69 H 1.6699 4.4350 -3.0114 H 1 UNL1111111111 0.1456 70 H 0.4535 6.7734 -1.9297 H 1 UNL1111111111 0.3007 71 H 0.9461 6.5964 1.1188 H 1 UNL1111111111 0.1833 72 H 2.5645 6.9762 1.7604 H 1 UNL1111111111 0.1837 73 H 1.8993 7.9001 0.3955 H 1 UNL1111111111 0.1799 74 H 7.7513 -2.9873 1.3979 H 1 UNL1111111111 0.1733 @BOND 1 1 14 1 2 2 19 1 3 2 32 1 4 3 33 1 5 4 1 ar 6 4 3 1 7 5 22 1 8 5 34 1 9 6 7 1 10 6 35 1 11 7 4 ar 12 9 7 ar 13 9 11 ar 14 9 74 1 15 10 29 1 16 11 12 ar 17 11 36 1 18 12 1 ar 19 12 37 1 20 13 21 2 21 14 2 am 22 14 8 2 23 15 38 1 24 16 10 1 25 16 39 1 26 17 30 2 27 19 20 1 28 19 40 1 29 20 23 1 30 20 41 1 31 20 42 1 32 21 5 am 33 21 19 1 34 22 25 1 35 22 43 1 36 23 24 1 37 23 44 1 38 23 45 1 39 24 46 1 40 24 47 1 41 24 48 1 42 25 15 1 43 25 18 2 44 26 22 1 45 26 49 1 46 26 50 1 47 27 26 1 48 27 51 1 49 27 52 1 50 28 27 1 51 28 53 1 52 28 54 1 53 29 28 1 54 29 55 1 55 29 56 1 56 30 10 am 57 30 31 1 58 31 57 1 59 31 58 1 60 31 59 1 61 38 65 1 62 38 66 1 63 38 67 1 64 46 60 1 65 46 68 1 66 46 69 1 67 60 61 am 68 60 62 1 69 61 63 2 70 61 64 1 71 62 70 1 72 64 71 1 73 64 72 1 74 64 73 1