@MOLECULE 1-o-[methyl(phenyl)amino]-d-glucopyranuronic acid 38 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3879 -0.5203 -0.8479 O.3 1 UNL1 -0.3933 2 O 0.6529 0.2151 -0.0277 O.3 1 UNL1 -0.3284 3 O -0.7053 1.7442 1.7586 O.3 1 UNL1 -0.5368 4 O -1.7176 2.2630 -1.7050 O.3 1 UNL1 -0.5233 5 O -3.6483 1.1640 -0.1804 O.3 1 UNL1 -0.5713 6 O -2.6072 -2.8310 0.6304 O.3 1 UNL1 -0.5335 7 O -4.1992 -1.4831 -0.1736 O.2 1 UNL1 -0.5082 8 N 1.5037 -0.8375 -0.4865 N.4 1 UNL1 -0.1784 9 C -1.5962 1.9150 0.6861 C.3 1 UNL1 0.0782 10 C -2.6671 0.7975 0.7626 C.3 1 UNL1 0.0664 11 C -0.8630 1.8737 -0.6690 C.3 1 UNL1 0.0380 12 C -2.0161 -0.5576 0.4198 C.3 1 UNL1 -0.0357 13 C -0.3672 0.4379 -0.9838 C.3 1 UNL1 0.2541 14 C -3.0755 -1.6309 0.2366 C.2 1 UNL1 0.6299 15 C 2.8505 -0.4315 -0.1582 C.ar 1 UNL1 0.1125 16 C 1.1082 -2.0554 0.2529 C.3 1 UNL1 -0.3095 17 C 3.8692 -1.0568 -0.8903 C.ar 1 UNL1 -0.1828 18 C 3.1529 0.5588 0.7796 C.ar 1 UNL1 -0.1986 19 C 5.1923 -0.6938 -0.6645 C.ar 1 UNL1 -0.1245 20 C 4.4834 0.9152 0.9904 C.ar 1 UNL1 -0.1184 21 C 5.5021 0.2890 0.2760 C.ar 1 UNL1 -0.1707 22 H -2.0554 2.9150 0.8685 H 1 UNL1 0.1778 23 H -3.1460 0.7726 1.7678 H 1 UNL1 0.1504 24 H -0.0220 2.6034 -0.7096 H 1 UNL1 0.1721 25 H -1.2690 -0.8534 1.1971 H 1 UNL1 0.1747 26 H -0.0431 0.2776 -2.0362 H 1 UNL1 0.1828 27 H -0.0296 1.0686 1.5419 H 1 UNL1 0.3255 28 H -2.6064 1.8336 -1.5714 H 1 UNL1 0.3524 29 H -4.2122 0.3836 -0.4131 H 1 UNL1 0.3626 30 H 0.0918 -2.3509 -0.0738 H 1 UNL1 0.1794 31 H 1.1111 -1.9439 1.3469 H 1 UNL1 0.1408 32 H 1.7971 -2.8735 -0.0181 H 1 UNL1 0.1620 33 H -3.2516 -3.5769 0.5038 H 1 UNL1 0.3631 34 H 3.6191 -1.8104 -1.6352 H 1 UNL1 0.1664 35 H 2.3628 1.0538 1.3400 H 1 UNL1 0.1639 36 H 5.9898 -1.1768 -1.2278 H 1 UNL1 0.1526 37 H 4.7256 1.6862 1.7209 H 1 UNL1 0.1539 38 H 6.5396 0.5673 0.4485 H 1 UNL1 0.1544 @BOND 1 26 13 1 2 4 28 1 3 4 11 1 4 34 17 1 5 36 19 1 6 13 1 1 7 13 11 1 8 13 2 1 9 17 19 ar 10 17 15 ar 11 1 12 1 12 24 11 1 13 11 9 1 14 19 21 ar 15 8 15 1 16 8 2 1 17 8 16 1 18 29 5 1 19 5 10 1 20 7 14 2 21 15 18 ar 22 30 16 1 23 32 16 1 24 14 12 1 25 14 6 1 26 16 31 1 27 21 38 1 28 21 20 ar 29 12 10 1 30 12 25 1 31 33 6 1 32 9 10 1 33 9 22 1 34 9 3 1 35 10 23 1 36 18 20 ar 37 18 35 1 38 20 37 1 39 27 3 1