@MOLECULE 3'-o-{[5-(dimethylamino)-1-naphthyl]sulfonyl}adenosine 59 63 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.1407 2.8211 -0.4254 S.O2 1 UNL1111 2.3935 2 O -3.3137 -1.1170 0.7460 O.3 1 UNL1111 -0.4078 3 O -1.6240 1.3237 -0.9953 O.3 1 UNL1111 -0.7437 4 O -4.0206 -0.5901 -2.3506 O.3 1 UNL1111 -0.5561 5 O -4.0048 0.4791 2.9378 O.3 1 UNL1111 -0.5405 6 O -2.1049 3.1894 0.5855 O.2 1 UNL1111 -0.9282 7 O -0.9626 3.6439 -1.5898 O.2 1 UNL1111 -0.8746 8 N -1.8920 -2.5402 -0.4287 N.ar 1 UNL1111 -0.3876 9 N -0.5902 -4.3839 -0.7609 N.ar 1 UNL1111 -0.3290 10 N -0.2690 -1.2082 0.9233 N.ar 1 UNL1111 -0.4973 11 N 1.8264 -2.3631 1.2833 N.ar 1 UNL1111 -0.5946 12 N 4.8591 0.4468 0.2108 N.pl3 1 UNL1111 -0.4100 13 N 2.2966 -4.4834 0.4191 N.pl3 1 UNL1111 -0.5541 14 C -2.8614 0.7564 -0.6808 C.3 1 UNL1111 0.1387 15 C -2.8785 -0.5416 -1.5322 C.3 1 UNL1111 0.0619 16 C -2.9306 0.2705 0.7815 C.3 1 UNL1111 0.0126 17 C -3.0821 -1.6878 -0.5049 C.3 1 UNL1111 0.2811 18 C -4.0247 0.9505 1.6072 C.3 1 UNL1111 -0.0295 19 C -0.6878 -2.2875 0.2137 C.ar 1 UNL1111 0.3140 20 C -1.7790 -3.8388 -0.9967 C.ar 1 UNL1111 0.1222 21 C 0.1227 -3.4565 -0.0060 C.ar 1 UNL1111 -0.2110 22 C 0.3770 2.3746 0.3002 C.ar 1 UNL1111 -0.4085 23 C 1.4082 1.7425 -0.4547 C.ar 1 UNL1111 0.0982 24 C 2.6119 1.3978 0.2105 C.ar 1 UNL1111 -0.0846 25 C 1.4227 -3.4522 0.5636 C.ar 1 UNL1111 0.4730 26 C 0.5410 2.6272 1.6428 C.ar 1 UNL1111 -0.0230 27 C 3.6543 0.7329 -0.5188 C.ar 1 UNL1111 0.1816 28 C 1.2813 1.4343 -1.8381 C.ar 1 UNL1111 -0.2032 29 C 2.7728 1.7207 1.5839 C.ar 1 UNL1111 -0.0550 30 C 1.7547 2.3093 2.2906 C.ar 1 UNL1111 -0.2249 31 C 0.9749 -1.3149 1.4243 C.ar 1 UNL1111 0.2917 32 C 3.4874 0.4368 -1.8537 C.ar 1 UNL1111 -0.2635 33 C 2.2919 0.7982 -2.5113 C.ar 1 UNL1111 -0.0848 34 C 4.7919 -0.8829 0.8575 C.3 1 UNL1111 -0.2690 35 C 6.0843 0.5865 -0.6028 C.3 1 UNL1111 -0.2683 36 H -3.6812 1.4521 -0.9571 H 1 UNL1111 0.1473 37 H -1.9571 -0.6476 -2.1445 H 1 UNL1111 0.1674 38 H -1.9407 0.3049 1.2979 H 1 UNL1111 0.1986 39 H -3.9806 -2.3232 -0.7199 H 1 UNL1111 0.1738 40 H -5.0322 0.7743 1.1920 H 1 UNL1111 0.1206 41 H -3.8337 2.0419 1.7109 H 1 UNL1111 0.1817 42 H -3.9231 0.0146 -3.1167 H 1 UNL1111 0.3339 43 H -2.5849 -4.2901 -1.5558 H 1 UNL1111 0.2006 44 H -3.9033 -0.4965 2.9427 H 1 UNL1111 0.3228 45 H -0.2582 3.0782 2.2483 H 1 UNL1111 0.1762 46 H 0.3746 1.7055 -2.3848 H 1 UNL1111 0.1845 47 H 3.7296 1.4917 2.0653 H 1 UNL1111 0.1741 48 H 1.8693 2.5423 3.3467 H 1 UNL1111 0.1589 49 H 1.3496 -0.4573 2.0143 H 1 UNL1111 0.2032 50 H 4.2596 -0.0818 -2.4157 H 1 UNL1111 0.1610 51 H 2.1849 0.5574 -3.5700 H 1 UNL1111 0.1542 52 H 3.1917 -4.4576 0.8642 H 1 UNL1111 0.3200 53 H 2.0143 -5.3112 -0.0698 H 1 UNL1111 0.3281 54 H 3.8649 -0.9643 1.4557 H 1 UNL1111 0.1716 55 H 6.2348 -0.2073 -1.3494 H 1 UNL1111 0.1237 56 H 6.0739 1.5607 -1.1201 H 1 UNL1111 0.1503 57 H 6.9499 0.5880 0.0827 H 1 UNL1111 0.1499 58 H 4.7997 -1.7243 0.1482 H 1 UNL1111 0.1301 59 H 5.6444 -0.9856 1.5472 H 1 UNL1111 0.1476 @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 16 1 29 14 36 1 30 15 17 1 31 15 37 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 58 1 60 34 59 1 61 35 55 1 62 35 56 1 63 35 57 1