@MOLECULE 5'-o-[(s)-[(2s)-2-amino-3-phenylpropoxy](hydroxy)phosphoryl]adenosine 58 61 0 0 0 SMALL GASTEIGER @ATOM 1 P 3.2697 0.1032 -1.7509 P.3 1 UNL11 0.3132 2 O -0.8012 1.8263 -1.7042 O.3 1 UNL11 -0.3771 3 O -2.7533 3.1382 0.8258 O.3 1 UNL11 -0.5493 4 O -0.4822 4.3361 0.1668 O.3 1 UNL11 -0.5363 5 O 1.9896 1.0491 -1.7009 O.3 1 UNL11 -0.1830 6 O 2.6320 -1.2319 -1.1594 O.3 1 UNL11 -0.2615 7 O 4.2458 0.5620 -0.5636 O.3 1 UNL11 -0.4158 8 O 3.8241 0.1053 -3.0937 O.2 1 UNL11 -0.2465 9 N -2.4062 0.3207 -0.9675 N.ar 1 UNL11 -0.3822 10 N -2.5050 -1.9153 -1.3555 N.ar 1 UNL11 -0.3579 11 N -4.4737 0.5698 0.3824 N.ar 1 UNL11 -0.5499 12 N -5.6643 -1.5175 0.6539 N.ar 1 UNL11 -0.5710 13 N -4.9444 -3.5551 -0.2336 N.pl3 1 UNL11 -0.5492 14 N 2.3654 -4.3012 0.3201 N.3 1 UNL11 -0.6709 15 C -1.7500 2.2290 0.4730 C.3 1 UNL11 0.0301 16 C -0.3885 2.9551 0.3789 C.3 1 UNL11 0.0898 17 C -1.9966 1.7256 -0.9843 C.3 1 UNL11 0.2355 18 C 0.2594 2.3136 -0.8727 C.3 1 UNL11 0.0414 19 C 1.1709 1.1370 -0.5085 C.3 1 UNL11 -0.0941 20 C -3.5588 -0.1295 -0.3435 C.ar 1 UNL11 0.2622 21 C -1.7999 -0.8060 -1.5754 C.ar 1 UNL11 0.1680 22 C -3.6135 -1.5394 -0.5977 C.ar 1 UNL11 -0.1901 23 C -4.7383 -2.2245 -0.0650 C.ar 1 UNL11 0.4646 24 C 2.3859 -2.8275 0.4916 C.3 1 UNL11 0.0470 25 C 3.4143 -2.2742 -0.5343 C.3 1 UNL11 -0.0276 26 C 2.7952 -2.4844 1.9397 C.3 1 UNL11 -0.3237 27 C -5.4937 -0.1868 0.8411 C.ar 1 UNL11 0.3043 28 C 2.4690 -1.0585 2.2592 C.ar 1 UNL11 0.0195 29 C 3.4497 -0.0681 2.1719 C.ar 1 UNL11 -0.1436 30 C 1.1757 -0.7175 2.6649 C.ar 1 UNL11 -0.1796 31 C 3.1437 1.2485 2.5113 C.ar 1 UNL11 -0.1329 32 C 0.8746 0.5976 3.0101 C.ar 1 UNL11 -0.1493 33 C 1.8598 1.5813 2.9414 C.ar 1 UNL11 -0.1785 34 H -1.7263 1.4025 1.2153 H 1 UNL11 0.1503 35 H 0.2247 2.8515 1.2994 H 1 UNL11 0.1561 36 H -2.7579 2.3315 -1.5406 H 1 UNL11 0.1727 37 H 0.7689 3.0643 -1.5223 H 1 UNL11 0.1901 38 H 0.5854 0.2073 -0.3582 H 1 UNL11 0.1459 39 H 1.7559 1.3475 0.4112 H 1 UNL11 0.1577 40 H -3.6185 2.6411 0.8739 H 1 UNL11 0.3664 41 H -1.4249 4.6158 0.0981 H 1 UNL11 0.3465 42 H -0.8772 -0.7214 -2.1428 H 1 UNL11 0.2266 43 H 1.3782 -2.3721 0.2785 H 1 UNL11 0.1429 44 H 3.6564 -3.0199 -1.3208 H 1 UNL11 0.1462 45 H 4.3520 -1.9619 -0.0451 H 1 UNL11 0.1375 46 H 2.2824 -3.1620 2.6529 H 1 UNL11 0.1508 47 H 3.8737 -2.6983 2.0870 H 1 UNL11 0.1624 48 H -6.2744 0.3255 1.4313 H 1 UNL11 0.2010 49 H 4.9293 1.2230 -0.9331 H 1 UNL11 0.3237 50 H -5.7564 -3.9994 0.1496 H 1 UNL11 0.3246 51 H -4.2871 -4.1002 -0.7587 H 1 UNL11 0.3289 52 H 1.9367 -4.7733 1.0972 H 1 UNL11 0.2493 53 H 1.8869 -4.5676 -0.5268 H 1 UNL11 0.2576 54 H 4.4521 -0.3195 1.8266 H 1 UNL11 0.1583 55 H 0.4046 -1.4826 2.7202 H 1 UNL11 0.1510 56 H 3.9099 2.0174 2.4377 H 1 UNL11 0.1484 57 H -0.1287 0.8535 3.3460 H 1 UNL11 0.1495 58 H 1.6311 2.6058 3.2279 H 1 UNL11 0.1502 @BOND 1 1 5 1 2 1 6 1 3 1 7 1 4 1 8 2 5 2 17 1 6 2 18 1 7 3 15 1 8 3 40 1 9 4 16 1 10 4 41 1 11 5 19 1 12 6 25 1 13 7 49 1 14 9 17 1 15 9 20 ar 16 9 21 ar 17 10 21 ar 18 10 22 ar 19 11 20 ar 20 11 27 ar 21 12 23 ar 22 12 27 ar 23 13 23 1 24 13 50 1 25 13 51 1 26 14 24 1 27 14 52 1 28 14 53 1 29 15 16 1 30 15 34 1 31 16 18 1 32 16 35 1 33 17 15 1 34 17 36 1 35 18 19 1 36 18 37 1 37 19 38 1 38 19 39 1 39 20 22 ar 40 21 42 1 41 22 23 ar 42 24 25 1 43 24 26 1 44 24 43 1 45 25 44 1 46 25 45 1 47 26 28 1 48 26 46 1 49 26 47 1 50 27 48 1 51 28 29 ar 52 28 30 ar 53 29 31 ar 54 29 54 1 55 30 32 ar 56 30 55 1 57 31 33 ar 58 31 56 1 59 32 33 ar 60 32 57 1 61 33 58 1