@MOLECULE 5'-o-(l-alpha-glutamylsulfamoyl)inosine 52 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 1.5186 -2.8550 0.4769 S.3 1 UNL1 2.5227 2 O -2.5045 -1.3649 0.6811 O.3 1 UNL1 -0.4064 3 O -4.9173 0.1427 -0.9873 O.3 1 UNL1 -0.5113 4 O -3.8726 -1.8854 -2.1729 O.3 1 UNL1 -0.5294 5 O -0.0776 -2.4402 0.3252 O.3 1 UNL1 -0.7275 6 O 1.6904 -3.0017 1.8968 O.3 1 UNL1 -0.8745 7 O 1.8718 -3.8489 -0.4758 O.3 1 UNL1 -0.8127 8 O 1.7080 3.0207 2.4427 O.2 1 UNL1 -0.3885 9 O 1.8430 -1.2400 -2.0621 O.2 1 UNL1 -0.5393 10 O -0.6099 2.8806 -1.4135 O.3 1 UNL1 -0.5900 11 O 1.1074 4.1932 -1.9718 O.2 1 UNL1 -0.4774 12 N -2.1846 0.9035 1.0843 N.ar 1 UNL1 -0.3923 13 N -1.1758 2.9290 1.3005 N.ar 1 UNL1 -0.2760 14 N -0.4467 -0.4543 2.2811 N.ar 1 UNL1 -0.4812 15 N 2.3307 -1.3452 0.1386 N.am 1 UNL1 -0.9096 16 N 1.4645 0.8156 2.9548 N.ar 1 UNL1 -0.5692 17 N 4.0891 0.3959 -2.5795 N.3 1 UNL1 -0.6167 18 C -3.5297 0.1386 -0.8788 C.3 1 UNL1 0.0387 19 C -2.8753 -1.0338 -1.6626 C.3 1 UNL1 0.0393 20 C -3.1265 -0.1083 0.6071 C.3 1 UNL1 0.2357 21 C -2.1282 -1.8623 -0.6026 C.3 1 UNL1 0.0660 22 C -0.6083 -1.7421 -0.7801 C.3 1 UNL1 0.0085 23 C -0.9798 0.6952 1.7387 C.ar 1 UNL1 0.2441 24 C -2.2625 2.3060 0.8513 C.ar 1 UNL1 0.0749 25 C -0.3473 1.9619 1.8434 C.ar 1 UNL1 -0.1915 26 C 0.9895 2.0579 2.4197 C.ar 1 UNL1 0.5879 27 C 0.8121 -0.3011 2.8934 C.ar 1 UNL1 0.3001 28 C 3.4108 0.4236 -1.2816 C.3 1 UNL1 0.0002 29 C 2.4660 -0.7840 -1.1287 C.2 1 UNL1 0.5539 30 C 2.5935 1.7185 -1.1219 C.3 1 UNL1 -0.2781 31 C 1.3604 1.7719 -2.0267 C.3 1 UNL1 -0.3498 32 C 0.6722 3.0859 -1.8157 C.2 1 UNL1 0.6485 33 H -3.2300 1.1374 -1.2663 H 1 UNL1 0.1787 34 H -2.2308 -0.6805 -2.4926 H 1 UNL1 0.1480 35 H -4.0028 -0.1720 1.3044 H 1 UNL1 0.1803 36 H -2.4605 -2.9290 -0.5651 H 1 UNL1 0.1944 37 H -0.2694 -0.6890 -0.7222 H 1 UNL1 0.1352 38 H -0.2774 -2.2068 -1.7342 H 1 UNL1 0.1668 39 H -5.2847 -0.7755 -0.9109 H 1 UNL1 0.3393 40 H -4.3311 -1.4593 -2.9346 H 1 UNL1 0.3329 41 H -3.1264 2.7628 0.3979 H 1 UNL1 0.2006 42 H -0.8375 -1.3651 2.0387 H 1 UNL1 0.3642 43 H 1.2274 -1.2287 3.3471 H 1 UNL1 0.2268 44 H 2.7593 -0.8625 0.9377 H 1 UNL1 0.3488 45 H 4.2087 0.3989 -0.4868 H 1 UNL1 0.1711 46 H 2.3032 1.8574 -0.0583 H 1 UNL1 0.1698 47 H 3.2607 2.5860 -1.3506 H 1 UNL1 0.1950 48 H 0.6700 0.9264 -1.8295 H 1 UNL1 0.1712 49 H 1.6478 1.6805 -3.0971 H 1 UNL1 0.1798 50 H 3.4484 0.4782 -3.3544 H 1 UNL1 0.2639 51 H 4.6514 -0.4307 -2.7066 H 1 UNL1 0.2600 52 H -1.0466 3.7087 -1.0748 H 1 UNL1 0.3747 @BOND 1 50 17 1 2 49 31 1 3 40 4 1 4 51 17 1 5 17 28 1 6 34 19 1 7 4 19 1 8 9 29 2 9 31 48 1 10 31 32 1 11 31 30 1 12 11 32 2 13 32 10 1 14 38 22 1 15 19 18 1 16 19 21 1 17 10 52 1 18 47 30 1 19 28 29 1 20 28 30 1 21 28 45 1 22 33 18 1 23 29 15 am 24 30 46 1 25 3 39 1 26 3 18 1 27 18 20 1 28 22 37 1 29 22 21 1 30 22 5 1 31 21 36 1 32 21 2 1 33 7 1 1 34 15 1 1 35 15 44 1 36 5 1 1 37 41 24 1 38 1 6 1 39 20 2 1 40 20 12 1 41 20 35 1 42 24 12 ar 43 24 13 ar 44 12 23 ar 45 13 25 ar 46 23 25 ar 47 23 14 ar 48 25 26 ar 49 42 14 1 50 14 27 ar 51 26 8 2 52 26 16 ar 53 27 16 ar 54 27 43 1