@MOLECULE n-{(2s)-6-[(2,3-dihydroxybenzoyl)amino]-1-hydroxy-2-hexanyl}-2,3-dihydroxybenzamide 53 54 0 0 0 SMALL USER_CHARGES @ATOM 1 O -5.5405 -0.7439 -0.4002 O.3 1 UNK111111111 -0.5221 2 O -2.6358 -0.8181 1.8441 O.2 0 UNK0 -0.4800 3 O 0.6736 2.0321 1.7409 O.2 1 UNK1 -0.4745 4 O 0.3447 -1.0380 1.6518 O.3 0 UNK0 -0.3942 5 O 2.1612 -2.9669 1.0550 O.3 0 UNK0 -0.4878 6 O 1.4894 0.7781 -1.8227 O.3 1 UNK1 -0.4257 7 O 3.5328 -0.6846 -2.4699 O.3 1 UNK1 -0.4223 8 N -2.7217 -0.2861 -0.3619 N.am 1 UNK1 -0.6149 9 N 1.0627 3.2867 -0.1058 N.am 1 UNK1 -0.6209 10 C -3.1796 2.1200 -0.6800 C.3 1 UNK1 -0.3245 11 C -3.7177 0.7627 -0.1647 C.3 1 UNK1 0.0909 12 C -1.8660 2.4857 0.0083 C.3 1 UNK1 -0.2498 13 C -1.3296 3.8215 -0.5149 C.3 1 UNK1 -0.3033 14 C -5.0172 0.4502 -0.9530 C.3 1 UNK1 -0.0549 15 C -0.0294 4.2122 0.2156 C.3 1 UNK1 -0.0600 16 C -2.2626 -1.0313 0.7139 C.2 0 UNK0 0.6154 17 C -1.2817 -2.0844 0.3273 C.ar 0 UNK0 -0.1920 18 C 1.3293 2.2231 0.7405 C.2 1 UNK1 0.5755 19 C 2.4625 1.3596 0.3229 C.ar 1 UNK1 -0.2311 20 C 0.0143 -2.0588 0.8403 C.ar 0 UNK0 0.2497 21 C -1.6574 -3.1211 -0.5325 C.ar 0 UNK0 -0.1143 22 C 0.9267 -3.0779 0.4813 C.ar 0 UNK0 0.1245 23 C 2.4756 0.6982 -0.8986 C.ar 1 UNK1 0.2209 24 C -0.7493 -4.1107 -0.8833 C.ar 0 UNK0 -0.1665 25 C 3.5298 1.2016 1.2176 C.ar 1 UNK1 -0.1072 26 C 0.5564 -4.1000 -0.3759 C.ar 0 UNK0 -0.2062 27 C 3.5934 -0.0968 -1.2485 C.ar 1 UNK1 0.1860 28 C 4.6145 0.4124 0.8700 C.ar 1 UNK1 -0.1494 29 C 4.6573 -0.2404 -0.3690 C.ar 1 UNK1 -0.2362 30 H -3.0342 2.0822 -1.7739 H 1 UNK1 0.1351 31 H -3.9366 2.9066 -0.4989 H 1 UNK1 0.1408 32 H -3.9549 0.8325 0.9358 H 1 UNK1 0.1891 33 H -1.9952 2.5278 1.1102 H 1 UNK1 0.1660 34 H -1.1177 1.6817 -0.1498 H 1 UNK1 0.1515 35 H -1.1598 3.7655 -1.6047 H 1 UNK1 0.1366 36 H -2.0814 4.6185 -0.3656 H 1 UNK1 0.1396 37 H -5.7459 1.2684 -0.8223 H 1 UNK1 0.1124 38 H -4.8199 0.2833 -2.0272 H 1 UNK1 0.1128 39 H -0.2060 4.2056 1.3208 H 1 UNK1 0.1691 40 H 0.2713 5.2457 -0.0582 H 1 UNK1 0.1266 41 H -2.4219 -0.4758 -1.3024 H 1 UNK1 0.3071 42 H 1.6277 3.4856 -0.9129 H 1 UNK1 0.3135 43 H -6.4387 -0.9124 -0.7450 H 1 UNK1 0.3030 44 H -2.6777 -3.1535 -0.9175 H 0 UNK0 0.1625 45 H -1.0625 -4.9057 -1.5547 H 0 UNK0 0.1530 46 H 3.4947 1.7061 2.1851 H 1 UNK1 0.1701 47 H 1.2554 -4.8835 -0.6488 H 0 UNK0 0.1533 48 H 5.4492 0.2993 1.5600 H 1 UNK1 0.1571 49 H 5.5177 -0.8479 -0.6326 H 1 UNK1 0.1575 50 H 1.2962 -1.0958 1.9472 H 0 UNK0 0.3411 51 H 2.7850 -3.6447 0.7058 H 0 UNK0 0.3332 52 H 0.6739 1.2055 -1.4454 H 1 UNK1 0.3300 53 H 4.3588 -1.1898 -2.6684 H 1 UNK1 0.3139 @BOND 1 53 7 1 2 7 27 1 3 38 14 1 4 6 52 1 5 6 23 1 6 30 10 1 7 35 13 1 8 45 24 1 9 41 8 1 10 27 23 ar 11 27 29 ar 12 14 37 1 13 14 1 1 14 14 11 1 15 44 21 1 16 42 9 1 17 23 19 ar 18 24 21 ar 19 24 26 ar 20 43 1 1 21 10 31 1 22 10 11 1 23 10 12 1 24 47 26 1 25 49 29 1 26 21 17 ar 27 13 36 1 28 13 12 1 29 13 15 1 30 26 22 ar 31 29 28 ar 32 8 11 1 33 8 16 am 34 11 32 1 35 34 12 1 36 9 15 1 37 9 18 am 38 40 15 1 39 12 33 1 40 15 39 1 41 19 18 1 42 19 25 ar 43 17 16 1 44 17 20 ar 45 22 20 ar 46 22 5 1 47 51 5 1 48 16 2 2 49 18 3 2 50 20 4 1 51 28 25 ar 52 28 48 1 53 25 46 1 54 4 50 1