@MOLECULE 5-amino-2,3-dihydroxy-n~1~-[1-(8-hydroxy-1-oxo-3,4-dihydro-1h-isochromen-3-yl)-3-methylbutyl]hexanediamide 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1741 -1.8028 -1.2438 O.3 1 UNL11111111 -0.3719 2 O 2.0469 3.0907 -1.9831 O.3 1 UNL11111111 -0.5184 3 O 0.9388 2.2029 1.3052 O.3 1 UNL11111111 -0.6267 4 O 2.4049 0.4568 -2.1491 O.2 1 UNL11111111 -0.5192 5 O -1.5112 -2.1796 -2.5861 O.2 1 UNL11111111 -0.5003 6 O -3.8936 -2.9013 -1.6135 O.3 1 UNL11111111 -0.4538 7 O -1.1846 4.9508 0.0108 O.2 1 UNL11111111 -0.5358 8 N 2.1429 0.0712 0.0803 N.am 1 UNL11111111 -0.5932 9 N -2.9581 2.1208 -0.1554 N.3 1 UNL11111111 -0.6522 10 N -2.6392 4.4781 1.6580 N.am 1 UNL11111111 -0.6826 11 C 2.1487 -1.3801 -0.0519 C.3 1 UNL11111111 0.0688 12 C 0.7128 -1.9790 0.0696 C.3 1 UNL11111111 0.0799 13 C 3.0318 -2.0260 1.0363 C.3 1 UNL11111111 -0.3245 14 C -0.1707 -1.3199 1.1270 C.3 1 UNL11111111 -0.3695 15 C 4.4624 -1.4530 1.0766 C.3 1 UNL11111111 -0.0435 16 C -1.5659 -1.8357 1.0056 C.ar 1 UNL11111111 0.1518 17 C -2.0285 -2.1735 -0.2763 C.ar 1 UNL11111111 -0.4053 18 C 5.1915 -2.0154 2.3049 C.3 1 UNL11111111 -0.4622 19 C 5.2400 -1.7925 -0.1977 C.3 1 UNL11111111 -0.4574 20 C 2.2042 0.8804 -1.0296 C.2 1 UNL11111111 0.5317 21 C 2.0792 2.3846 -0.7711 C.3 1 UNL11111111 0.0200 22 C 0.8196 2.8086 0.0201 C.3 1 UNL11111111 0.1384 23 C -1.1441 -2.0678 -1.4328 C.2 1 UNL11111111 0.6300 24 C -0.4921 2.3224 -0.5961 C.3 1 UNL11111111 -0.3379 25 C -2.4004 -1.9509 2.1050 C.ar 1 UNL11111111 -0.3003 26 C -3.3572 -2.6013 -0.4257 C.ar 1 UNL11111111 0.3969 27 C -1.6622 2.5889 0.3677 C.3 1 UNL11111111 -0.0145 28 C -3.7207 -2.4017 1.9397 C.ar 1 UNL11111111 -0.0122 29 C -4.2095 -2.7280 0.6888 C.ar 1 UNL11111111 -0.2990 30 C -1.8181 4.1057 0.6052 C.2 1 UNL11111111 0.5851 31 H 2.5390 -1.6474 -1.0816 H 1 UNL11111111 0.1995 32 H 0.7726 -3.0810 0.2327 H 1 UNL11111111 0.1432 33 H 2.5639 -1.8986 2.0302 H 1 UNL11111111 0.1379 34 H 3.0831 -3.1175 0.8579 H 1 UNL11111111 0.1530 35 H 0.2545 -1.4919 2.1358 H 1 UNL11111111 0.1710 36 H -0.1896 -0.2094 1.0046 H 1 UNL11111111 0.1934 37 H 4.4056 -0.3418 1.1757 H 1 UNL11111111 0.1367 38 H 1.9138 0.4667 0.9854 H 1 UNL11111111 0.3311 39 H 6.2102 -1.6178 2.3751 H 1 UNL11111111 0.1461 40 H 4.6740 -1.7565 3.2334 H 1 UNL11111111 0.1377 41 H 5.2716 -3.1063 2.2615 H 1 UNL11111111 0.1455 42 H 4.7693 -1.3461 -1.0843 H 1 UNL11111111 0.1599 43 H 6.2648 -1.4084 -0.1510 H 1 UNL11111111 0.1446 44 H 5.3007 -2.8724 -0.3622 H 1 UNL11111111 0.1441 45 H 2.9990 2.7508 -0.2515 H 1 UNL11111111 0.1644 46 H 0.8220 3.9231 0.1209 H 1 UNL11111111 0.1694 47 H -0.4401 1.2444 -0.8420 H 1 UNL11111111 0.1598 48 H -0.6499 2.8577 -1.5609 H 1 UNL11111111 0.1914 49 H -2.0434 -1.6975 3.0987 H 1 UNL11111111 0.1627 50 H -1.4355 2.1026 1.3542 H 1 UNL11111111 0.1512 51 H -4.3656 -2.4869 2.8179 H 1 UNL11111111 0.1513 52 H -5.2289 -3.0761 0.5398 H 1 UNL11111111 0.1856 53 H 1.8611 2.4830 -2.7408 H 1 UNL11111111 0.3461 54 H 0.9652 2.8712 2.0107 H 1 UNL11111111 0.3409 55 H -2.9043 1.7896 -1.1036 H 1 UNL11111111 0.2721 56 H -3.3702 1.4025 0.4160 H 1 UNL11111111 0.2545 57 H -3.2172 -2.7699 -2.3620 H 1 UNL11111111 0.3789 58 H -2.8117 5.4533 1.8125 H 1 UNL11111111 0.3041 59 H -3.3172 3.8519 2.0364 H 1 UNL11111111 0.3014 @BOND 1 1 12 1 2 1 23 1 3 2 21 1 4 2 53 1 5 3 22 1 6 3 54 1 7 4 20 2 8 5 23 2 9 6 26 1 10 6 57 1 11 7 30 2 12 8 11 1 13 8 20 am 14 8 38 1 15 9 27 1 16 9 55 1 17 9 56 1 18 10 30 am 19 10 58 1 20 10 59 1 21 11 12 1 22 11 13 1 23 11 31 1 24 12 14 1 25 12 32 1 26 13 15 1 27 13 33 1 28 13 34 1 29 14 16 1 30 14 35 1 31 14 36 1 32 15 18 1 33 15 19 1 34 15 37 1 35 16 17 ar 36 16 25 ar 37 17 23 1 38 17 26 ar 39 18 39 1 40 18 40 1 41 18 41 1 42 19 42 1 43 19 43 1 44 19 44 1 45 20 21 1 46 21 22 1 47 21 45 1 48 22 24 1 49 22 46 1 50 24 27 1 51 24 47 1 52 24 48 1 53 25 28 ar 54 25 49 1 55 26 29 ar 56 27 30 1 57 27 50 1 58 28 29 ar 59 28 51 1 60 29 52 1