@MOLECULE 6-[4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid 52 54 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -4.4888 -2.0826 1.0766 Cl 1 UNL111 -0.0510 2 S -4.4968 0.9993 0.0377 S.O2 1 UNL111 2.3924 3 O 2.7739 1.5105 -0.8804 O.3 1 UNL111 -0.3740 4 O 0.4668 1.4434 -1.0620 O.3 1 UNL111 -0.5284 5 O 0.2543 2.7679 1.2778 O.3 1 UNL111 -0.5423 6 O 3.7775 3.4109 1.1909 O.3 1 UNL111 -0.5470 7 O 0.2950 4.1562 -1.1762 O.3 1 UNL111 -0.5117 8 O 5.1259 1.2733 0.1758 O.3 1 UNL111 -0.5345 9 O 4.3088 -0.4103 1.3950 O.2 1 UNL111 -0.5031 10 O 1.1775 -0.3474 -2.2179 O.2 1 UNL111 -0.4950 11 O 2.2801 -3.1679 0.8206 O.2 1 UNL111 -0.1739 12 O -4.0325 2.3005 -0.3942 O.2 1 UNL111 -0.9317 13 O -5.7061 0.4123 -0.4807 O.2 1 UNL111 -0.8955 14 N 0.0871 -2.6276 -1.0179 N.pl3 1 UNL111 -0.4816 15 N -4.7059 1.1021 1.7555 N.3 1 UNL111 -0.9452 16 C 1.4290 3.3953 0.8376 C.3 1 UNL111 0.0636 17 C 2.6553 2.5800 1.3210 C.3 1 UNL111 0.0698 18 C 1.4525 3.5463 -0.6920 C.3 1 UNL111 0.0323 19 C 2.7800 1.2730 0.5189 C.3 1 UNL111 -0.0315 20 C 1.6470 2.1694 -1.3752 C.3 1 UNL111 0.2935 21 C 4.1173 0.5927 0.7629 C.2 1 UNL111 0.6391 22 C 0.3362 0.1611 -1.5227 C.2 1 UNL111 0.6546 23 C -0.8866 -0.4219 -0.9837 C.ar 1 UNL111 -0.3703 24 C -0.9318 -1.8083 -0.6463 C.ar 1 UNL111 0.3689 25 C -1.9953 0.3955 -0.7647 C.ar 1 UNL111 0.1066 26 C -3.1457 -0.0984 -0.1596 C.ar 1 UNL111 -0.5380 27 C -2.0847 -2.2912 0.0312 C.ar 1 UNL111 -0.3773 28 C -3.1398 -1.4357 0.2497 C.ar 1 UNL111 0.2289 29 C 0.3415 -3.9311 -0.3828 C.3 1 UNL111 -0.0723 30 C 1.7920 -4.0572 -0.1274 C.ar 1 UNL111 0.0109 31 C 2.8072 -4.8257 -0.6287 C.ar 1 UNL111 -0.1831 32 C 4.0079 -4.3957 0.0415 C.ar 1 UNL111 -0.2553 33 C 3.6361 -3.3928 0.8968 C.ar 1 UNL111 0.0284 34 H 1.3960 4.3898 1.3443 H 1 UNL111 0.1782 35 H 2.5770 2.3789 2.4171 H 1 UNL111 0.1684 36 H 2.2699 4.2398 -1.0134 H 1 UNL111 0.1777 37 H 1.9526 0.5650 0.7742 H 1 UNL111 0.1712 38 H 1.8194 2.1870 -2.4731 H 1 UNL111 0.1740 39 H 0.0330 1.9977 0.7082 H 1 UNL111 0.3320 40 H 4.3483 3.1350 0.4379 H 1 UNL111 0.3466 41 H -0.5139 3.7693 -0.7558 H 1 UNL111 0.3407 42 H -1.9397 1.4537 -1.0834 H 1 UNL111 0.1948 43 H 6.0183 0.8584 0.3057 H 1 UNL111 0.3621 44 H -2.1325 -3.3308 0.3442 H 1 UNL111 0.1826 45 H 0.8796 -2.2297 -1.5342 H 1 UNL111 0.3479 46 H -0.0164 -4.7424 -1.0691 H 1 UNL111 0.1753 47 H -0.2333 -4.0385 0.5717 H 1 UNL111 0.1687 48 H -5.5956 0.8118 2.1251 H 1 UNL111 0.2971 49 H -4.3900 1.9485 2.1981 H 1 UNL111 0.2964 50 H 2.7568 -5.5953 -1.3709 H 1 UNL111 0.1712 51 H 4.9839 -4.7994 -0.1248 H 1 UNL111 0.1745 52 H 4.1325 -2.7440 1.5890 H 1 UNL111 0.1942 @BOND 1 38 20 1 2 10 22 2 3 45 14 1 4 22 4 1 5 22 23 1 6 20 4 1 7 20 3 1 8 20 18 1 9 50 31 1 10 7 41 1 11 7 18 1 12 42 25 1 13 46 29 1 14 14 24 1 15 14 29 1 16 36 18 1 17 23 25 ar 18 23 24 ar 19 3 19 1 20 25 26 ar 21 18 16 1 22 24 27 ar 23 31 30 ar 24 31 32 ar 25 13 2 2 26 12 2 2 27 29 30 1 28 29 47 1 29 26 2 1 30 26 28 ar 31 30 11 ar 32 51 32 1 33 27 28 ar 34 27 44 1 35 2 15 1 36 32 33 ar 37 8 43 1 38 8 21 1 39 28 1 1 40 40 6 1 41 19 21 1 42 19 37 1 43 19 17 1 44 39 5 1 45 21 9 2 46 11 33 ar 47 16 5 1 48 16 17 1 49 16 34 1 50 33 52 1 51 6 17 1 52 17 35 1 53 15 48 1 54 15 49 1