@MOLECULE 5'-o-(l-alpha-glutamylsulfamoyl)adenosine 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.0536 -0.5382 -1.2702 S.O2 1 UNL11 2.5208 2 O 0.9092 2.8788 -0.7749 O.3 1 UNL11 -0.4098 3 O -0.5763 2.4306 2.3437 O.3 1 UNL11 -0.5494 4 O 1.7527 3.6144 2.3080 O.3 1 UNL11 -0.5561 5 O 2.8593 0.6934 -0.1846 O.3 1 UNL11 -0.7101 6 O 2.5542 -0.0523 -2.5299 O.2 1 UNL11 -0.9076 7 O 4.3500 -1.1165 -1.1496 O.2 1 UNL11 -0.8246 8 O 2.8004 -2.1914 1.2647 O.2 1 UNL11 -0.4829 9 O -2.2557 -0.4895 2.4248 O.3 1 UNL11 -0.5564 10 O -2.8872 -1.7589 0.7066 O.2 1 UNL11 -0.5191 11 N -0.9378 1.4810 -0.8200 N.ar 1 UNL11 -0.3803 12 N -1.4759 -0.1197 -2.3395 N.ar 1 UNL11 -0.3613 13 N -3.1046 1.6054 0.3854 N.ar 1 UNL11 -0.5611 14 N 1.8209 -1.6185 -0.6998 N.am 1 UNL11 -0.8938 15 N -4.7870 0.1480 -0.5654 N.ar 1 UNL11 -0.5487 16 N -4.3696 -1.3469 -2.3161 N.pl3 1 UNL11 -0.5343 17 N 1.3286 -4.4282 1.7449 N.3 1 UNL11 -0.6180 18 C 0.2398 1.9169 1.3264 C.3 1 UNL11 0.0372 19 C 1.6715 2.4722 1.4950 C.3 1 UNL11 0.1135 20 C -0.2288 2.4936 -0.0454 C.3 1 UNL11 0.2500 21 C 2.0682 2.9110 0.0668 C.3 1 UNL11 0.0452 22 C 3.1238 2.0237 -0.5945 C.3 1 UNL11 0.0072 23 C -2.2586 1.1350 -0.5702 C.ar 1 UNL11 0.2586 24 C -0.5114 0.7008 -1.9224 C.ar 1 UNL11 0.1427 25 C -2.5852 0.1261 -1.5326 C.ar 1 UNL11 -0.1854 26 C -3.9120 -0.3855 -1.4766 C.ar 1 UNL11 0.4910 27 C 0.9847 -3.6117 0.5750 C.3 1 UNL11 -0.0116 28 C -4.3550 1.0902 0.2987 C.ar 1 UNL11 0.2910 29 C 1.9425 -2.4097 0.4447 C.2 1 UNL11 0.5430 30 C -0.4801 -3.1606 0.6515 C.3 1 UNL11 -0.2719 31 C -0.7477 -2.1696 1.7845 C.3 1 UNL11 -0.3479 32 C -2.0647 -1.5060 1.5489 C.2 1 UNL11 0.6391 33 H 0.2172 0.8088 1.3604 H 1 UNL11 0.1464 34 H 2.3741 1.7365 1.9448 H 1 UNL11 0.1722 35 H -0.8799 3.4024 0.0659 H 1 UNL11 0.1770 36 H 2.3866 3.9821 0.0566 H 1 UNL11 0.1691 37 H 4.1409 2.2607 -0.2210 H 1 UNL11 0.1428 38 H 3.0811 2.1419 -1.6990 H 1 UNL11 0.1597 39 H -1.5085 2.1220 2.1914 H 1 UNL11 0.3613 40 H 0.8852 3.7996 2.7382 H 1 UNL11 0.3523 41 H 0.4723 0.8245 -2.3739 H 1 UNL11 0.2390 42 H 0.9270 -1.5926 -1.1974 H 1 UNL11 0.3443 43 H 1.1180 -4.2580 -0.3397 H 1 UNL11 0.1692 44 H -5.1033 1.4802 1.0122 H 1 UNL11 0.2002 45 H -0.8037 -2.7394 -0.3233 H 1 UNL11 0.1637 46 H -1.1225 -4.0621 0.7896 H 1 UNL11 0.1798 47 H -5.2806 -1.7447 -2.1823 H 1 UNL11 0.3236 48 H -3.7346 -1.7957 -2.9491 H 1 UNL11 0.3247 49 H -0.7596 -2.6847 2.7727 H 1 UNL11 0.1925 50 H 0.0571 -1.4071 1.8760 H 1 UNL11 0.1852 51 H 2.2617 -4.8105 1.6784 H 1 UNL11 0.2631 52 H 1.2651 -3.9050 2.6064 H 1 UNL11 0.2605 53 H -3.0998 0.0103 2.2594 H 1 UNL11 0.3646 @BOND 1 1 5 1 2 1 6 2 3 1 7 2 4 1 14 1 5 2 20 1 6 2 21 1 7 3 18 1 8 3 39 1 9 4 19 1 10 4 40 1 11 5 22 1 12 8 29 2 13 9 32 1 14 9 53 1 15 10 32 2 16 11 20 1 17 11 23 ar 18 11 24 ar 19 12 24 ar 20 12 25 ar 21 13 23 ar 22 13 28 ar 23 14 29 am 24 14 42 1 25 15 26 ar 26 15 28 ar 27 16 26 1 28 16 47 1 29 16 48 1 30 17 27 1 31 17 51 1 32 17 52 1 33 18 19 1 34 18 33 1 35 19 21 1 36 19 34 1 37 20 18 1 38 20 35 1 39 21 22 1 40 21 36 1 41 22 37 1 42 22 38 1 43 23 25 ar 44 24 41 1 45 25 26 ar 46 27 29 1 47 27 30 1 48 27 43 1 49 28 44 1 50 30 31 1 51 30 45 1 52 30 46 1 53 31 32 1 54 31 49 1 55 31 50 1