@MOLECULE 5'-o-(l-glutaminylsulfamoyl)adenosine 54 56 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.5678 -0.6402 -0.4021 S.O2 1 UNL11 2.5389 2 O 0.5843 3.0729 -0.8366 O.3 1 UNL11 -0.3633 3 O 0.5799 3.8921 2.3375 O.3 1 UNL11 -0.5348 4 O 2.7344 2.6642 1.6618 O.3 1 UNL11 -0.5687 5 O 2.9257 0.4310 -1.4642 O.3 1 UNL11 -0.6933 6 O 3.4539 -0.1175 0.9285 O.2 1 UNL11 -0.9080 7 O 4.8273 -1.0593 -0.9413 O.2 1 UNL11 -0.8554 8 O 0.6883 -1.2683 0.4503 O.2 1 UNL11 -0.5407 9 O -2.7357 -3.4370 2.5931 O.2 1 UNL11 -0.5419 10 N -1.5552 2.5249 -0.0273 N.ar 1 UNL11 -0.3822 11 N -3.6722 1.8147 0.4525 N.ar 1 UNL11 -0.3409 12 N -1.1034 0.9864 -1.9441 N.ar 1 UNL11 -0.5078 13 N 2.5478 -2.0458 -0.5804 N.am 1 UNL11 -0.8766 14 N -2.9571 -0.4932 -2.4220 N.ar 1 UNL11 -0.5786 15 N -4.9599 -0.4693 -1.2228 N.pl3 1 UNL11 -0.5483 16 N 1.7056 -4.6152 -0.0334 N.3 1 UNL11 -0.6551 17 N -3.0600 -1.3665 1.7698 N.am 1 UNL11 -0.6870 18 C 0.3516 2.7675 1.5418 C.3 1 UNL11 0.0541 19 C 1.6242 2.0284 1.0663 C.3 1 UNL11 0.0588 20 C -0.3056 3.2669 0.2188 C.3 1 UNL11 0.2425 21 C 1.7113 2.2731 -0.4521 C.3 1 UNL11 0.0216 22 C 1.6452 1.0106 -1.3184 C.3 1 UNL11 0.0134 23 C -1.8372 1.5194 -0.9342 C.ar 1 UNL11 0.3205 24 C -2.7072 2.6616 0.7966 C.ar 1 UNL11 0.1284 25 C -3.1744 1.0766 -0.6195 C.ar 1 UNL11 -0.2387 26 C -3.7199 0.0431 -1.4219 C.ar 1 UNL11 0.4582 27 C 0.6396 -3.6033 -0.1645 C.3 1 UNL11 -0.0327 28 C -1.7135 0.0050 -2.6351 C.ar 1 UNL11 0.2865 29 C 1.2804 -2.2052 -0.0388 C.2 1 UNL11 0.6100 30 C -0.4777 -3.7411 0.8832 C.3 1 UNL11 -0.2912 31 C -1.7364 -2.9790 0.4572 C.3 1 UNL11 -0.3598 32 C -2.5378 -2.6416 1.6964 C.2 1 UNL11 0.6018 33 H -0.3226 2.1282 2.1489 H 1 UNL11 0.1594 34 H 1.5950 0.9485 1.3530 H 1 UNL11 0.1840 35 H -0.5361 4.3649 0.2196 H 1 UNL11 0.1792 36 H 2.5953 2.9004 -0.7175 H 1 UNL11 0.1766 37 H 0.9048 0.2765 -0.9574 H 1 UNL11 0.1620 38 H 1.3932 1.2770 -2.3733 H 1 UNL11 0.1823 39 H 1.5423 4.1319 2.3370 H 1 UNL11 0.3536 40 H 3.3420 1.9758 2.0238 H 1 UNL11 0.3606 41 H -2.7531 3.3916 1.5935 H 1 UNL11 0.2085 42 H 2.9909 -2.8960 -0.9633 H 1 UNL11 0.3547 43 H 0.2065 -3.6831 -1.1992 H 1 UNL11 0.1686 44 H -1.1450 -0.4486 -3.4660 H 1 UNL11 0.1976 45 H -0.7296 -4.8064 1.0553 H 1 UNL11 0.1571 46 H -0.1259 -3.3676 1.8700 H 1 UNL11 0.1747 47 H -1.4686 -2.0664 -0.1130 H 1 UNL11 0.1744 48 H -2.3621 -3.5912 -0.2237 H 1 UNL11 0.1710 49 H -5.3224 -1.1817 -1.8279 H 1 UNL11 0.3244 50 H -5.5663 -0.0659 -0.5319 H 1 UNL11 0.3304 51 H 2.0172 -4.7195 0.9210 H 1 UNL11 0.2627 52 H 1.4179 -5.5173 -0.3797 H 1 UNL11 0.2634 53 H -3.5688 -1.0748 2.5813 H 1 UNL11 0.3161 54 H -2.8827 -0.6774 1.0763 H 1 UNL11 0.3090 @BOND 1 1 5 1 2 1 6 2 3 1 7 2 4 1 13 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 2 14 10 20 1 15 10 23 ar 16 10 24 ar 17 11 24 ar 18 11 25 ar 19 12 23 ar 20 12 28 ar 21 13 29 am 22 13 42 1 23 14 26 ar 24 14 28 ar 25 15 26 1 26 15 49 1 27 15 50 1 28 16 27 1 29 16 51 1 30 16 52 1 31 17 32 am 32 17 53 1 33 17 54 1 34 18 19 1 35 18 33 1 36 19 21 1 37 19 34 1 38 20 18 1 39 20 35 1 40 21 22 1 41 21 36 1 42 22 37 1 43 22 38 1 44 23 25 ar 45 24 41 1 46 25 26 ar 47 27 29 1 48 27 30 1 49 27 43 1 50 28 44 1 51 30 31 1 52 30 45 1 53 30 46 1 54 31 32 1 55 31 47 1 56 31 48 1