@MOLECULE 1-[(3-acetoxy-4-methyl-2-oxo-2h-chromen-7-yl)amino]-2,5-dioxo-3-pyrrolidinesulfonic acid 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -5.3893 -0.9950 0.6354 S.3 1 UNL1 2.3988 2 O -6.1570 -1.5064 -0.7412 O.3 1 UNL1 -0.8533 3 O -2.5646 0.1868 1.8085 O.2 1 UNL1 -0.4197 4 O -2.5910 1.4583 -2.6006 O.2 1 UNL1 -0.3836 5 O -5.8760 0.3087 0.9587 O.3 1 UNL1 -0.8499 6 O -5.4703 -2.0962 1.5473 O.3 1 UNL1 -0.8675 7 O 2.1104 -0.7921 -0.9032 O.2 1 UNL1 -0.3652 8 O 5.7078 -0.5144 -0.4443 O.3 1 UNL1 -0.3622 9 O 3.6870 -2.2279 -1.3693 O.2 1 UNL1 -0.3850 10 O 5.6636 -1.5521 1.5650 O.2 1 UNL1 -0.4620 11 N -2.4522 1.0991 -0.3038 N.am 1 UNL1 -0.4484 12 N -1.5622 2.1346 -0.0331 N.pl3 1 UNL1 -0.2699 13 C -3.7353 -0.8752 -0.0732 C.3 1 UNL1 -0.5092 14 C -3.7254 -0.4402 -1.5506 C.3 1 UNL1 -0.3404 15 C -2.8738 0.1444 0.6519 C.2 1 UNL1 0.5621 16 C -2.8695 0.8130 -1.6380 C.2 1 UNL1 0.5905 17 C -0.1967 1.7614 0.0987 C.ar 1 UNL1 0.2457 18 C 2.5786 1.3051 0.2156 C.ar 1 UNL1 -0.2415 19 C 0.3176 0.5849 -0.4377 C.ar 1 UNL1 -0.3385 20 C 1.7007 0.3762 -0.3681 C.ar 1 UNL1 0.3391 21 C 0.6619 2.7128 0.7023 C.ar 1 UNL1 -0.3013 22 C 3.9889 0.9950 0.2404 C.ar 1 UNL1 0.1529 23 C 2.0219 2.4816 0.7486 C.ar 1 UNL1 0.0064 24 C 4.3826 -0.1803 -0.3089 C.ar 1 UNL1 -0.0488 25 C 4.9568 1.9424 0.8455 C.3 1 UNL1 -0.4538 26 C 3.4683 -1.1541 -0.8894 C.ar 1 UNL1 0.5766 27 C 6.2492 -1.3063 0.5501 C.2 1 UNL1 0.6147 28 C 7.6066 -1.7289 0.1163 C.3 1 UNL1 -0.5117 29 H -3.2452 -1.8819 0.0344 H 1 UNL1 0.2207 30 H -4.7310 -0.2304 -1.9829 H 1 UNL1 0.2122 31 H -3.3095 -1.2303 -2.2108 H 1 UNL1 0.1931 32 H -1.9325 2.7123 0.7391 H 1 UNL1 0.3044 33 H -0.3072 -0.1641 -0.9142 H 1 UNL1 0.1861 34 H 0.2479 3.6277 1.1189 H 1 UNL1 0.1694 35 H 2.6790 3.2212 1.2120 H 1 UNL1 0.1580 36 H -6.9577 -2.0350 -0.6424 H 1 UNL1 0.3962 37 H 4.7686 2.0685 1.9251 H 1 UNL1 0.1754 38 H 4.9012 2.9376 0.3774 H 1 UNL1 0.1696 39 H 6.0003 1.6037 0.7438 H 1 UNL1 0.1716 40 H 7.5384 -2.5813 -0.5841 H 1 UNL1 0.1972 41 H 8.2135 -2.0525 0.9762 H 1 UNL1 0.1859 42 H 8.1497 -0.9293 -0.4105 H 1 UNL1 0.1853 @BOND 1 4 16 2 2 31 14 1 3 30 14 1 4 16 14 1 5 16 11 am 6 14 13 1 7 9 26 2 8 33 19 1 9 7 26 ar 10 7 20 ar 11 26 24 ar 12 2 36 1 13 2 1 1 14 40 28 1 15 8 24 1 16 8 27 1 17 19 20 ar 18 19 17 ar 19 42 28 1 20 20 18 ar 21 24 22 ar 22 11 12 1 23 11 15 am 24 13 29 1 25 13 1 1 26 13 15 1 27 12 17 1 28 12 32 1 29 17 21 ar 30 28 27 1 31 28 41 1 32 18 22 ar 33 18 23 ar 34 22 25 1 35 38 25 1 36 27 10 2 37 1 5 1 38 1 6 1 39 15 3 2 40 21 23 ar 41 21 34 1 42 39 25 1 43 23 35 1 44 25 37 1