@MOLECULE 2'-deoxy-2'-[(3,5-dimethoxybenzoyl)amino]-n-(1-naphthylmethyl)adenosine 72 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0517 4.0547 -0.5593 O.3 1 UNL11 -0.4368 2 O -4.8734 2.7675 -1.2793 O.3 1 UNL11 -0.5460 3 O -2.8769 6.5329 0.5680 O.3 1 UNL11 -0.5272 4 O -4.7012 0.3482 1.5538 O.2 1 UNL11 -0.4848 5 O -1.4766 -4.3319 0.8353 O.3 1 UNL11 -0.3154 6 O -5.8263 -4.2479 -1.0348 O.3 1 UNL11 -0.3055 7 N -0.5803 2.3142 -0.1493 N.ar 1 UNL11 -0.3704 8 N -3.3176 0.6625 -0.2170 N.am 1 UNL11 -0.6114 9 N 1.3921 2.3480 0.9776 N.ar 1 UNL11 -0.3371 10 N -0.4458 0.0192 -1.0821 N.ar 1 UNL11 -0.5504 11 N 3.1723 -0.2113 1.0258 N.pl3 1 UNL11 -0.4440 12 N 1.5779 -1.1349 -0.4431 N.ar 1 UNL11 -0.5920 13 C -3.0376 2.0314 0.1940 C.3 1 UNL11 -0.0446 14 C -4.1928 3.0343 -0.0801 C.3 1 UNL11 0.0945 15 C -1.8940 2.6569 -0.6693 C.3 1 UNL11 0.2801 16 C -3.4388 4.3626 -0.3103 C.3 1 UNL11 0.0309 17 C -3.4471 5.2882 0.9067 C.3 1 UNL11 -0.0368 18 C 0.0163 1.0806 -0.3666 C.ar 1 UNL11 0.2689 19 C 0.3027 3.0533 0.6774 C.ar 1 UNL11 0.1546 20 C -4.0366 -0.1426 0.6712 C.2 1 UNL11 0.5742 21 C 1.2520 1.1101 0.3535 C.ar 1 UNL11 -0.1899 22 C 2.0352 -0.0804 0.3066 C.ar 1 UNL11 0.4592 23 C -3.9035 -1.6044 0.4029 C.ar 1 UNL11 0.0180 24 C 0.3942 -1.0354 -1.0939 C.ar 1 UNL11 0.3074 25 C -4.9354 -2.2994 -0.1972 C.ar 1 UNL11 -0.2816 26 C -2.7069 -2.2216 0.7792 C.ar 1 UNL11 -0.3508 27 C 4.0091 -1.4183 0.9513 C.3 1 UNL11 -0.0803 28 C -2.5667 -3.5866 0.5331 C.ar 1 UNL11 0.3229 29 C -4.7534 -3.6790 -0.4347 C.ar 1 UNL11 0.3074 30 C 5.4610 -1.0251 0.9078 C.ar 1 UNL11 -0.0626 31 C -3.5832 -4.3383 -0.0818 C.ar 1 UNL11 -0.3941 32 C 6.0483 -0.5482 -0.3011 C.ar 1 UNL11 -0.0017 33 C 6.2132 -1.1309 2.0525 C.ar 1 UNL11 -0.1464 34 C 7.4153 -0.1875 -0.2935 C.ar 1 UNL11 -0.0114 35 C 5.3149 -0.4171 -1.5133 C.ar 1 UNL11 -0.1541 36 C 7.5825 -0.7732 2.0519 C.ar 1 UNL11 -0.1561 37 C 8.1715 -0.3103 0.9047 C.ar 1 UNL11 -0.1416 38 C 8.0211 0.2972 -1.4859 C.ar 1 UNL11 -0.1577 39 C 5.9189 0.0541 -2.6499 C.ar 1 UNL11 -0.1346 40 C 7.2888 0.4165 -2.6379 C.ar 1 UNL11 -0.1405 41 C -0.3813 -3.6691 1.4572 C.3 1 UNL11 -0.2007 42 C -5.7562 -5.6401 -1.3170 C.3 1 UNL11 -0.2025 43 H -2.7763 2.0709 1.2860 H 1 UNL11 0.1712 44 H -4.9467 3.0569 0.7321 H 1 UNL11 0.1596 45 H -1.9548 2.3801 -1.7565 H 1 UNL11 0.1782 46 H -3.7847 4.8803 -1.2353 H 1 UNL11 0.1816 47 H -4.4766 5.5521 1.2179 H 1 UNL11 0.1543 48 H -2.8955 4.8596 1.7631 H 1 UNL11 0.1300 49 H -2.6081 0.2286 -0.8192 H 1 UNL11 0.3488 50 H -4.8999 1.7948 -1.4426 H 1 UNL11 0.3444 51 H 0.0823 4.0652 0.9857 H 1 UNL11 0.2085 52 H -1.9871 6.3933 0.1756 H 1 UNL11 0.3217 53 H 0.0848 -1.9168 -1.6846 H 1 UNL11 0.2021 54 H 3.5561 0.6020 1.4997 H 1 UNL11 0.3402 55 H -5.8696 -1.8208 -0.4780 H 1 UNL11 0.1848 56 H -1.9198 -1.6469 1.2530 H 1 UNL11 0.1745 57 H 3.7806 -2.0549 1.8417 H 1 UNL11 0.1568 58 H 3.7339 -2.0444 0.0621 H 1 UNL11 0.1911 59 H -3.4294 -5.3960 -0.2572 H 1 UNL11 0.1815 60 H 5.7721 -1.4908 2.9817 H 1 UNL11 0.1548 61 H 4.2593 -0.6942 -1.5293 H 1 UNL11 0.1674 62 H 8.1529 -0.8707 2.9740 H 1 UNL11 0.1545 63 H 9.2236 -0.0286 0.8908 H 1 UNL11 0.1552 64 H 9.0743 0.5717 -1.4623 H 1 UNL11 0.1538 65 H 5.3552 0.1583 -3.5766 H 1 UNL11 0.1570 66 H 7.7441 0.7894 -3.5540 H 1 UNL11 0.1537 67 H 0.3301 -4.4918 1.6078 H 1 UNL11 0.1511 68 H -0.6767 -3.2356 2.4172 H 1 UNL11 0.1380 69 H 0.0502 -2.9156 0.7885 H 1 UNL11 0.1473 70 H -4.9454 -5.8565 -2.0193 H 1 UNL11 0.1355 71 H -5.6533 -6.2208 -0.3948 H 1 UNL11 0.1384 72 H -6.7323 -5.8291 -1.7849 H 1 UNL11 0.1549 @BOND 1 1 15 1 2 1 16 1 3 2 14 1 4 2 50 1 5 3 17 1 6 3 52 1 7 4 20 2 8 5 28 1 9 5 41 1 10 6 29 1 11 6 42 1 12 7 15 1 13 7 18 ar 14 7 19 ar 15 8 13 1 16 8 20 am 17 8 49 1 18 9 19 ar 19 9 21 ar 20 10 18 ar 21 10 24 ar 22 11 22 1 23 11 27 1 24 11 54 1 25 12 22 ar 26 12 24 ar 27 13 14 1 28 13 43 1 29 14 16 1 30 14 44 1 31 15 13 1 32 15 45 1 33 16 17 1 34 16 46 1 35 17 47 1 36 17 48 1 37 18 21 ar 38 19 51 1 39 20 23 1 40 21 22 ar 41 23 25 ar 42 23 26 ar 43 24 53 1 44 25 29 ar 45 25 55 1 46 26 28 ar 47 26 56 1 48 27 30 1 49 27 57 1 50 27 58 1 51 28 31 ar 52 29 31 ar 53 30 32 ar 54 30 33 ar 55 31 59 1 56 32 34 ar 57 32 35 ar 58 33 36 ar 59 33 60 1 60 34 37 ar 61 34 38 ar 62 35 39 ar 63 35 61 1 64 36 37 ar 65 36 62 1 66 37 63 1 67 38 40 ar 68 38 64 1 69 39 40 ar 70 39 65 1 71 40 66 1 72 41 67 1 73 41 68 1 74 41 69 1 75 42 70 1 76 42 71 1 77 42 72 1