@MOLECULE n-(2,2-diphenylethyl)adenosine 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -5.0648 0.4811 -0.9161 O.3 1 UNL1111 -0.4102 2 O2* -4.4585 -2.5251 0.7228 O.3 1 UNL1111 -0.5440 3 O3* -5.6268 -0.0460 2.4969 O.3 1 UNL1111 -0.5546 4 O5* -7.9303 1.6497 0.9287 O.3 1 UNL1111 -0.5351 5 N -2.8423 -0.1590 -1.0095 N.ar 1 UNL1111 -0.3834 6 N -1.0903 1.1073 -1.7094 N.ar 1 UNL1111 -0.3431 7 N -1.5868 -2.1862 -0.3074 N.ar 1 UNL1111 -0.5567 8 N 1.7814 -0.0724 -1.6751 N.pl3 1 UNL1111 -0.4462 9 N 0.7987 -1.9647 -0.6512 N.ar 1 UNL1111 -0.5643 10 C2* -4.3420 -1.1322 0.7221 C.3 1 UNL1111 0.0381 11 C1* -4.2011 -0.6194 -0.7440 C.3 1 UNL1111 0.2478 12 C3* -5.6790 -0.5154 1.1727 C.3 1 UNL1111 0.0766 13 C4* -5.7919 0.7480 0.2883 C.3 1 UNL1111 0.0348 14 C5* -7.2282 1.0598 -0.1430 C.3 1 UNL1111 -0.0272 15 C -1.7058 -0.9318 -0.8221 C.ar 1 UNL1111 0.2682 16 C -2.4124 1.0775 -1.5544 C.ar 1 UNL1111 0.1612 17 C -0.6102 -0.1250 -1.2709 C.ar 1 UNL1111 -0.1907 18 C 0.6851 -0.7099 -1.1867 C.ar 1 UNL1111 0.4544 19 C 3.5904 -0.2152 0.0255 C.3 1 UNL1111 -0.1742 20 C 3.1339 -0.5737 -1.4131 C.3 1 UNL1111 -0.0648 21 C 3.5620 1.2788 0.2137 C.ar 1 UNL1111 -0.0026 22 C 4.9572 -0.7497 0.3564 C.ar 1 UNL1111 0.0153 23 C -0.3120 -2.6299 -0.2559 C.ar 1 UNL1111 0.3041 24 C 4.5365 2.0919 -0.3681 C.ar 1 UNL1111 -0.1708 25 C 5.2508 -1.0133 1.6988 C.ar 1 UNL1111 -0.1662 26 C 2.5366 1.8556 0.9657 C.ar 1 UNL1111 -0.1685 27 C 5.9386 -0.9564 -0.6133 C.ar 1 UNL1111 -0.1816 28 C 4.4849 3.4729 -0.1987 C.ar 1 UNL1111 -0.1385 29 C 6.5125 -1.4714 2.0652 C.ar 1 UNL1111 -0.1320 30 C 2.4838 3.2380 1.1282 C.ar 1 UNL1111 -0.1269 31 C 7.2013 -1.4186 -0.2438 C.ar 1 UNL1111 -0.1338 32 C 3.4573 4.0479 0.5472 C.ar 1 UNL1111 -0.1567 33 C 7.4920 -1.6746 1.0936 C.ar 1 UNL1111 -0.1621 34 H2* -3.4975 -0.8230 1.3756 H 1 UNL1111 0.1607 35 H1* -4.5026 -1.3819 -1.5093 H 1 UNL1111 0.1760 36 H3* -6.5241 -1.2281 1.0710 H 1 UNL1111 0.1552 37 H4* -5.3126 1.6266 0.7788 H 1 UNL1111 0.1695 38 H5*1 -7.2607 1.8258 -0.9425 H 1 UNL1111 0.1579 39 H5*2 -7.7792 0.1638 -0.4791 H 1 UNL1111 0.1301 40 H2* -3.5714 -2.9106 0.4717 H 1 UNL1111 0.3625 41 H3* -5.4506 -0.7857 3.1186 H 1 UNL1111 0.3366 42 H -3.1112 1.8671 -1.7956 H 1 UNL1111 0.2111 43 H 2.8487 -0.7014 0.7233 H 1 UNL1111 0.1805 44 H 3.1574 -1.6844 -1.5430 H 1 UNL1111 0.1817 45 H 3.8112 -0.1263 -2.1743 H 1 UNL1111 0.1495 46 H5* -7.6815 1.2196 1.7778 H 1 UNL1111 0.3262 47 H 1.6893 0.9162 -1.9054 H 1 UNL1111 0.3347 48 H -0.1504 -3.6408 0.1583 H 1 UNL1111 0.1981 49 H 5.3457 1.6463 -0.9436 H 1 UNL1111 0.1539 50 H 4.4910 -0.8529 2.4623 H 1 UNL1111 0.1564 51 H 1.7732 1.2295 1.4242 H 1 UNL1111 0.1542 52 H 5.7344 -0.7595 -1.6629 H 1 UNL1111 0.1497 53 H 5.2507 4.1032 -0.6460 H 1 UNL1111 0.1476 54 H 6.7360 -1.6695 3.1117 H 1 UNL1111 0.1486 55 H 1.6787 3.6849 1.7089 H 1 UNL1111 0.1513 56 H 7.9627 -1.5770 -1.0049 H 1 UNL1111 0.1461 57 H 3.4162 5.1269 0.6756 H 1 UNL1111 0.1482 58 H 8.4786 -2.0302 1.3804 H 1 UNL1111 0.1474 @BOND 1 1 11 1 2 1 13 1 3 2 10 1 4 2 40 1 5 3 12 1 6 3 41 1 7 4 14 1 8 4 46 1 9 5 11 1 10 5 15 ar 11 5 16 ar 12 6 16 ar 13 6 17 ar 14 7 15 ar 15 7 23 ar 16 8 18 1 17 8 20 1 18 8 47 1 19 9 18 ar 20 9 23 ar 21 10 11 1 22 10 12 1 23 10 34 1 24 11 35 1 25 12 13 1 26 12 36 1 27 13 14 1 28 13 37 1 29 14 38 1 30 14 39 1 31 15 17 ar 32 16 42 1 33 17 18 ar 34 19 20 1 35 19 21 1 36 19 22 1 37 19 43 1 38 20 44 1 39 20 45 1 40 21 24 ar 41 21 26 ar 42 22 25 ar 43 22 27 ar 44 23 48 1 45 24 28 ar 46 24 49 1 47 25 29 ar 48 25 50 1 49 26 30 ar 50 26 51 1 51 27 31 ar 52 27 52 1 53 28 32 ar 54 28 53 1 55 29 33 ar 56 29 54 1 57 30 32 ar 58 30 55 1 59 31 33 ar 60 31 56 1 61 32 57 1 62 33 58 1