@MOLECULE 3'-o-{[5-(dimethylamino)-1-naphthyl]sulfonyl}adenosine 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.2087 1.4549 0.7531 S.O2 1 UNL11 2.3958 2 O -2.1303 -1.3420 -1.6088 O.3 1 UNL11 -0.4351 3 O 0.5843 0.1964 -0.1450 O.3 1 UNL11 -0.7117 4 O -1.3096 1.6546 -1.4325 O.3 1 UNL11 -0.5445 5 O -1.0577 -3.8319 -1.2038 O.3 1 UNL11 -0.5312 6 O 1.1083 1.0846 2.1374 O.2 1 UNL11 -0.8792 7 O 0.5226 2.6444 0.2786 O.2 1 UNL11 -0.9356 8 N -3.9592 -0.5201 -0.4967 N.ar 1 UNL11 -0.3937 9 N -5.4361 -1.8286 0.6441 N.ar 1 UNL11 -0.3403 10 N -5.3291 1.5497 -0.6253 N.ar 1 UNL11 -0.4992 11 N -7.4898 1.3120 0.4422 N.ar 1 UNL11 -0.5737 12 N 7.2692 -0.5634 -0.2940 N.pl3 1 UNL11 -0.4125 13 N -8.2140 -0.6536 1.4814 N.pl3 1 UNL11 -0.5563 14 C -0.7286 -0.2486 0.0102 C.3 1 UNL11 0.1004 15 C -1.8089 0.7610 -0.4845 C.3 1 UNL11 0.0529 16 C -0.8530 -1.4349 -0.9710 C.3 1 UNL11 0.0449 17 C -2.7881 -0.1392 -1.2939 C.3 1 UNL11 0.2891 18 C -0.7918 -2.7995 -0.2810 C.3 1 UNL11 -0.0432 19 C -5.0831 0.2623 -0.2742 C.ar 1 UNL11 0.2857 20 C -4.2384 -1.7931 0.0660 C.ar 1 UNL11 0.1374 21 C -6.0012 -0.5704 0.4539 C.ar 1 UNL11 -0.1997 22 C 2.8264 1.3925 0.1346 C.ar 1 UNL11 -0.4369 23 C 3.7141 0.3265 0.4652 C.ar 1 UNL11 0.0897 24 C 5.0240 0.3570 -0.0748 C.ar 1 UNL11 -0.0820 25 C -7.2472 0.0157 0.8010 C.ar 1 UNL11 0.4637 26 C 3.2217 2.3967 -0.7222 C.ar 1 UNL11 -0.0103 27 C 5.9439 -0.6895 0.2605 C.ar 1 UNL11 0.1679 28 C 3.3461 -0.7694 1.2962 C.ar 1 UNL11 -0.2020 29 C 5.4043 1.4057 -0.9544 C.ar 1 UNL11 -0.0351 30 C 4.5195 2.4040 -1.2758 C.ar 1 UNL11 -0.2234 31 C -6.5389 2.0024 -0.2378 C.ar 1 UNL11 0.2983 32 C 5.5505 -1.7414 1.0565 C.ar 1 UNL11 -0.2557 33 C 4.2352 -1.7772 1.5680 C.ar 1 UNL11 -0.0884 34 C 7.7562 -1.8232 -0.8935 C.3 1 UNL11 -0.2685 35 C 8.2060 -0.0418 0.7275 C.3 1 UNL11 -0.2668 36 H -0.8923 -0.5375 1.0722 H 1 UNL11 0.1424 37 H -2.3040 1.3149 0.3392 H 1 UNL11 0.1549 38 H -0.1128 -1.3588 -1.8037 H 1 UNL11 0.1810 39 H -3.1078 0.3217 -2.2659 H 1 UNL11 0.1939 40 H -1.5000 -2.8878 0.5620 H 1 UNL11 0.1213 41 H 0.2342 -3.0219 0.0754 H 1 UNL11 0.1557 42 H -0.7122 2.3240 -0.9958 H 1 UNL11 0.3729 43 H -3.5393 -2.6132 0.0023 H 1 UNL11 0.2016 44 H -1.8713 -3.6184 -1.7138 H 1 UNL11 0.3260 45 H 2.5429 3.2157 -1.0030 H 1 UNL11 0.1773 46 H 2.3482 -0.8191 1.7404 H 1 UNL11 0.1883 47 H 6.4158 1.3906 -1.3772 H 1 UNL11 0.1791 48 H 4.8048 3.2050 -1.9557 H 1 UNL11 0.1643 49 H -6.7894 3.0456 -0.5008 H 1 UNL11 0.2014 50 H 6.2382 -2.5458 1.3061 H 1 UNL11 0.1634 51 H 3.9399 -2.6233 2.1918 H 1 UNL11 0.1572 52 H -8.0734 -1.6121 1.7371 H 1 UNL11 0.3278 53 H -9.0833 -0.2086 1.7023 H 1 UNL11 0.3233 54 H 6.9903 -2.2244 -1.5802 H 1 UNL11 0.1531 55 H 8.0213 -2.6059 -0.1681 H 1 UNL11 0.1256 56 H 8.6491 -1.5897 -1.5002 H 1 UNL11 0.1545 57 H 8.3789 -0.7294 1.5701 H 1 UNL11 0.1295 58 H 7.8141 0.9080 1.1301 H 1 UNL11 0.1495 59 H 9.1721 0.1754 0.2419 H 1 UNL11 0.1549 @BOND 1 1 3 1 2 1 6 2 3 1 7 2 4 1 22 1 5 2 16 1 6 2 17 1 7 3 14 1 8 4 15 1 9 4 42 1 10 5 18 1 11 5 44 1 12 8 17 1 13 8 19 ar 14 8 20 ar 15 9 20 ar 16 9 21 ar 17 10 19 ar 18 10 31 ar 19 11 25 ar 20 11 31 ar 21 12 27 1 22 12 34 1 23 12 35 1 24 13 25 1 25 13 52 1 26 13 53 1 27 14 15 1 28 14 36 1 29 15 17 1 30 15 37 1 31 16 14 1 32 16 18 1 33 16 38 1 34 17 39 1 35 18 40 1 36 18 41 1 37 19 21 ar 38 20 43 1 39 21 25 ar 40 22 23 ar 41 22 26 ar 42 23 24 ar 43 23 28 ar 44 24 27 ar 45 24 29 ar 46 26 30 ar 47 26 45 1 48 27 32 ar 49 28 33 ar 50 28 46 1 51 29 30 ar 52 29 47 1 53 30 48 1 54 31 49 1 55 32 33 ar 56 32 50 1 57 33 51 1 58 34 54 1 59 34 55 1 60 34 56 1 61 35 57 1 62 35 58 1 63 35 59 1