@MOLECULE 5'-o-{hydroxy[(hydroxy{[hydroxy({2-[(5-sulfo-1-naphthyl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine 76 80 0 0 0 SMALL GASTEIGER @ATOM 1 S 7.0480 0.5216 0.3378 S.O2 1 UNL11 2.4416 2 P -5.1103 -0.7157 1.7408 P.3 1 UNL11 0.3537 3 P -4.9183 2.2304 1.0275 P.3 1 UNL11 0.3749 4 P -4.1697 1.5884 -1.9156 P.3 1 UNL11 0.3636 5 O -1.7554 -1.5351 -0.6150 O.3 1 UNL11 -0.4238 6 O 0.1485 -4.2303 -1.6150 O.3 1 UNL11 -0.5527 7 O -2.4552 -4.3059 -2.0124 O.3 1 UNL11 -0.5398 8 O -3.6872 -1.0606 1.0905 O.3 1 UNL11 -0.2164 9 O -4.9779 0.8402 1.8402 O.3 1 UNL11 -0.1188 10 O -6.0633 -1.1054 0.5111 O.3 1 UNL11 -0.4472 11 O -5.4560 -1.3029 3.0230 O.2 1 UNL11 -0.2890 12 O -4.3197 1.8730 -0.3540 O.3 1 UNL11 -0.3325 13 O -6.4288 2.6837 0.8900 O.3 1 UNL11 -0.3232 14 O -4.1386 3.0948 1.8903 O.2 1 UNL11 -0.1525 15 O -4.9938 0.2677 -2.2259 O.3 1 UNL11 -0.3256 16 O -4.5410 2.6470 -2.8317 O.2 1 UNL11 -0.2128 17 O 8.0568 1.8103 0.0394 O.3 1 UNL11 -0.8451 18 O 7.3216 -0.3790 -0.7531 O.2 1 UNL11 -0.9077 19 O 7.2493 0.1272 1.7135 O.2 1 UNL11 -0.9176 20 N 0.3558 -1.4931 0.3211 N.ar 1 UNL11 -0.4127 21 N 1.1162 -0.3289 2.1132 N.ar 1 UNL11 -0.3519 22 N 2.4779 -2.4997 -0.4347 N.ar 1 UNL11 -0.5695 23 N 4.3613 -1.8166 0.9085 N.ar 1 UNL11 -0.5586 24 N 4.2266 -0.5003 2.8158 N.pl3 1 UNL11 -0.5281 25 N 0.8678 1.7010 -1.0578 N.pl3 1 UNL11 -0.5469 26 N -2.5608 1.1282 -1.7806 N.3 1 UNL11 -0.3332 27 C -0.5590 -3.6213 -0.5722 C.3 1 UNL11 0.0310 28 C -2.0697 -3.9216 -0.7200 C.3 1 UNL11 0.0824 29 C -0.4726 -2.0716 -0.7340 C.3 1 UNL11 0.2500 30 C -2.7413 -2.5590 -0.4281 C.3 1 UNL11 0.0537 31 C -3.2343 -2.4264 1.0185 C.3 1 UNL11 -0.0781 32 C 1.7199 -1.7347 0.3914 C.ar 1 UNL11 0.2638 33 C 0.0322 -0.6276 1.3981 C.ar 1 UNL11 0.1324 34 C 2.1904 -0.9971 1.5262 C.ar 1 UNL11 -0.2058 35 C 3.5890 -1.0843 1.7755 C.ar 1 UNL11 0.4689 36 C 3.7966 -2.4764 -0.1226 C.ar 1 UNL11 0.3246 37 C 3.2224 1.6364 -0.5002 C.ar 1 UNL11 -0.1300 38 C 4.5310 1.1427 -0.7350 C.ar 1 UNL11 0.1095 39 C 2.1778 1.3436 -1.4479 C.ar 1 UNL11 0.2085 40 C -0.2004 1.6187 -2.0727 C.3 1 UNL11 -0.1161 41 C -1.5130 2.1469 -1.4283 C.3 1 UNL11 -0.0729 42 C 5.5053 1.3332 0.2851 C.ar 1 UNL11 -0.4274 43 C 2.9623 2.4395 0.6378 C.ar 1 UNL11 -0.0408 44 C 4.7993 0.5022 -1.9747 C.ar 1 UNL11 -0.2481 45 C 2.4873 0.7627 -2.6606 C.ar 1 UNL11 -0.3048 46 C 5.2294 2.1316 1.3759 C.ar 1 UNL11 -0.0187 47 C 3.8140 0.3580 -2.9177 C.ar 1 UNL11 -0.0519 48 C 3.9563 2.7119 1.5451 C.ar 1 UNL11 -0.2310 49 H -0.1543 -3.9779 0.3991 H 1 UNL11 0.1535 50 H -2.4131 -4.7412 -0.0556 H 1 UNL11 0.1507 51 H -0.0767 -1.7577 -1.7363 H 1 UNL11 0.1718 52 H -3.5235 -2.3107 -1.1827 H 1 UNL11 0.1839 53 H -3.9530 -3.2321 1.2644 H 1 UNL11 0.1457 54 H -2.3912 -2.4748 1.7431 H 1 UNL11 0.1404 55 H 1.1089 -3.9604 -1.5413 H 1 UNL11 0.3722 56 H -1.6629 -4.4454 -2.5844 H 1 UNL11 0.3510 57 H -0.9868 -0.2925 1.5795 H 1 UNL11 0.2357 58 H 4.4824 -3.0483 -0.7764 H 1 UNL11 0.2118 59 H 3.7229 0.0852 3.4531 H 1 UNL11 0.3225 60 H 5.2446 -0.5129 2.8486 H 1 UNL11 0.3546 61 H -7.0273 -1.1700 0.8233 H 1 UNL11 0.3237 62 H 0.0790 2.2579 -2.9389 H 1 UNL11 0.1571 63 H -0.3361 0.5878 -2.4707 H 1 UNL11 0.1375 64 H -1.3910 2.2810 -0.3269 H 1 UNL11 0.1526 65 H -1.7330 3.1642 -1.8268 H 1 UNL11 0.1632 66 H 0.5992 1.2601 -0.1757 H 1 UNL11 0.2915 67 H -2.4202 0.2714 -1.1811 H 1 UNL11 0.3016 68 H 1.9633 2.8635 0.7819 H 1 UNL11 0.1679 69 H 5.8017 0.1216 -2.1946 H 1 UNL11 0.2009 70 H 1.7296 0.5766 -3.4150 H 1 UNL11 0.1669 71 H 5.9832 2.3280 2.1509 H 1 UNL11 0.1695 72 H 4.0383 -0.1040 -3.8813 H 1 UNL11 0.1532 73 H 3.7701 3.3581 2.3995 H 1 UNL11 0.1624 74 H -6.8908 2.1393 0.1542 H 1 UNL11 0.3171 75 H -4.9848 -0.3575 -1.4110 H 1 UNL11 0.3280 76 H 8.8110 1.6399 -0.5376 H 1 UNL11 0.3856 @BOND 1 1 17 1 2 1 18 2 3 1 19 2 4 1 42 1 5 2 8 1 6 2 9 1 7 2 10 1 8 2 11 2 9 3 9 1 10 3 12 1 11 3 13 1 12 3 14 2 13 4 12 1 14 4 15 1 15 4 16 2 16 4 26 1 17 5 29 1 18 5 30 1 19 6 27 1 20 6 55 1 21 7 28 1 22 7 56 1 23 8 31 1 24 10 61 1 25 13 74 1 26 15 75 1 27 17 76 1 28 20 29 1 29 20 32 ar 30 20 33 ar 31 21 33 ar 32 21 34 ar 33 22 32 ar 34 22 36 ar 35 23 35 ar 36 23 36 ar 37 24 35 1 38 24 59 1 39 24 60 1 40 25 39 1 41 25 40 1 42 25 66 1 43 26 41 1 44 26 67 1 45 27 28 1 46 27 49 1 47 28 30 1 48 28 50 1 49 29 27 1 50 29 51 1 51 30 31 1 52 30 52 1 53 31 53 1 54 31 54 1 55 32 34 ar 56 33 57 1 57 34 35 ar 58 36 58 1 59 37 38 ar 60 37 39 ar 61 37 43 ar 62 38 42 ar 63 38 44 ar 64 39 45 ar 65 40 41 1 66 40 62 1 67 40 63 1 68 41 64 1 69 41 65 1 70 42 46 ar 71 43 48 ar 72 43 68 1 73 44 47 ar 74 44 69 1 75 45 47 ar 76 45 70 1 77 46 48 ar 78 46 71 1 79 47 72 1 80 48 73 1