@MOLECULE 5'-o-(d-valylsulfamoyl)adenosine 53 55 0 0 0 SMALL GASTEIGER @ATOM 1 S 3.4998 -0.1455 1.2265 S.O2 1 UNL11 2.5301 2 O -1.0364 -2.3791 1.1662 O.3 1 UNL11 -0.3974 3 O 0.9719 -3.7353 -1.0722 O.3 1 UNL11 -0.5758 4 O -1.3028 -3.2602 -2.1801 O.3 1 UNL11 -0.5243 5 O 2.3260 -1.2492 0.8973 O.3 1 UNL11 -0.7475 6 O 4.7356 -0.7580 0.8235 O.2 1 UNL11 -0.8786 7 O 3.3054 0.4188 2.5198 O.2 1 UNL11 -0.8281 8 O 1.3921 1.9899 0.8410 O.2 1 UNL11 -0.5165 9 N -2.8038 -1.3410 0.0926 N.ar 1 UNL11 -0.3714 10 N -4.8479 -0.3271 0.1401 N.ar 1 UNL11 -0.3318 11 N -1.4048 0.6642 0.5714 N.ar 1 UNL11 -0.5284 12 N 3.1983 0.9905 -0.0675 N.am 1 UNL11 -0.8955 13 N -2.7150 2.6700 0.9108 N.ar 1 UNL11 -0.5755 14 N 0.9960 3.8344 -1.1099 N.3 1 UNL11 -0.6213 15 N -5.0393 2.7422 0.6835 N.pl3 1 UNL11 -0.5501 16 C 0.5127 -2.4553 -0.6867 C.3 1 UNL11 0.0717 17 C -0.9192 -2.2965 -1.2475 C.3 1 UNL11 0.0623 18 C 0.3517 -2.4278 0.8469 C.3 1 UNL11 0.0519 19 C -1.8393 -2.4267 0.0053 C.3 1 UNL11 0.2523 20 C 1.0305 -1.2010 1.4824 C.3 1 UNL11 0.0185 21 C -2.5684 -0.0011 0.3654 C.ar 1 UNL11 0.3074 22 C -4.2171 -1.4840 -0.0228 C.ar 1 UNL11 0.1373 23 C -3.8624 0.6255 0.3886 C.ar 1 UNL11 -0.2076 24 C 1.9528 2.7476 -1.3730 C.3 1 UNL11 -0.0402 25 C 1.4385 1.9275 -2.5879 C.3 1 UNL11 -0.0620 26 C -3.8919 2.0171 0.6627 C.ar 1 UNL11 0.4677 27 C 2.1286 1.8807 -0.1122 C.2 1 UNL11 0.5648 28 C -1.5537 1.9738 0.8632 C.ar 1 UNL11 0.2915 29 C 2.5431 1.0486 -3.1802 C.3 1 UNL11 -0.4677 30 C 0.2149 1.0822 -2.2362 C.3 1 UNL11 -0.4592 31 H 1.2072 -1.6855 -1.0807 H 1 UNL11 0.1543 32 H -1.0642 -1.3284 -1.7775 H 1 UNL11 0.1670 33 H 0.7105 -3.3774 1.3062 H 1 UNL11 0.1603 34 H -2.3821 -3.4070 0.0336 H 1 UNL11 0.1662 35 H 1.1087 -1.2870 2.5807 H 1 UNL11 0.1483 36 H 0.5255 -0.2479 1.2152 H 1 UNL11 0.1886 37 H 1.9460 -3.7836 -0.9674 H 1 UNL11 0.3445 38 H -0.7264 -4.0610 -2.1198 H 1 UNL11 0.3466 39 H -4.6771 -2.4373 -0.2348 H 1 UNL11 0.1995 40 H 2.9373 3.2162 -1.6372 H 1 UNL11 0.1542 41 H 1.1346 2.6811 -3.3649 H 1 UNL11 0.1585 42 H 3.8146 0.9285 -0.8784 H 1 UNL11 0.3305 43 H 2.7372 0.1575 -2.5739 H 1 UNL11 0.1493 44 H 2.2483 0.6845 -4.1742 H 1 UNL11 0.1543 45 H 3.4817 1.5950 -3.3150 H 1 UNL11 0.1395 46 H 0.3790 0.4591 -1.3475 H 1 UNL11 0.1607 47 H -0.0625 0.4225 -3.0667 H 1 UNL11 0.1498 48 H -0.6622 1.7073 -2.0249 H 1 UNL11 0.1536 49 H -0.6339 2.5434 1.1070 H 1 UNL11 0.2211 50 H 1.3110 4.4489 -0.3734 H 1 UNL11 0.2587 51 H 0.0881 3.4692 -0.8493 H 1 UNL11 0.2668 52 H -5.9195 2.2916 0.5212 H 1 UNL11 0.3273 53 H -5.0224 3.7187 0.9056 H 1 UNL11 0.3237 @BOND 1 1 5 1 2 1 6 2 3 1 7 2 4 1 12 1 5 2 18 1 6 2 19 1 7 3 16 1 8 3 37 1 9 4 17 1 10 4 38 1 11 5 20 1 12 8 27 2 13 9 19 1 14 9 21 ar 15 9 22 ar 16 10 22 ar 17 10 23 ar 18 11 21 ar 19 11 28 ar 20 12 27 am 21 12 42 1 22 13 26 ar 23 13 28 ar 24 14 24 1 25 14 50 1 26 14 51 1 27 15 26 1 28 15 52 1 29 15 53 1 30 16 17 1 31 16 18 1 32 16 31 1 33 17 19 1 34 17 32 1 35 18 20 1 36 18 33 1 37 19 34 1 38 20 35 1 39 20 36 1 40 21 23 ar 41 22 39 1 42 23 26 ar 43 24 25 1 44 24 27 1 45 24 40 1 46 25 29 1 47 25 30 1 48 25 41 1 49 28 49 1 50 29 43 1 51 29 44 1 52 29 45 1 53 30 46 1 54 30 47 1 55 30 48 1