@MOLECULE n-(4-azidobenzyl)adenosine 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 4.7211 0.9079 0.9710 O.3 1 UNL1 -0.4253 2 O2* 4.7700 -1.6050 -1.4547 O.3 1 UNL1 -0.5532 3 O3* 6.8588 -0.0001 -1.1630 O.3 1 UNL1 -0.5368 4 O5* 4.7152 3.7069 0.7851 O.3 1 UNL1 -0.5187 5 N 2.7067 -0.1993 0.7464 N.ar 1 UNL1 -0.3810 6 N 0.7264 0.3698 1.7071 N.ar 1 UNL1 -0.3391 7 N 1.9128 -2.0855 -0.6646 N.ar 1 UNL1 -0.5619 8 N -1.8287 -1.2634 1.0540 N.pl3 1 UNL1 -0.4472 9 N -0.4593 -2.4941 -0.4229 N.ar 1 UNL1 -0.5799 10 N -7.4242 1.4898 -0.0610 N.2 1 UNL1 -0.4246 11 N -7.8402 1.9580 -1.1423 N.2 1 UNL1 0.4315 12 N -8.3882 2.4893 -1.9813 N.2 1 UNL1 -0.1694 13 C2* 4.4052 -0.3096 -1.0772 C.3 1 UNL1 0.0385 14 C1* 4.1378 -0.2651 0.4593 C.3 1 UNL1 0.2492 15 C3* 5.6135 0.6399 -1.2522 C.3 1 UNL1 0.0893 16 C4* 5.4915 1.5820 -0.0354 C.3 1 UNL1 0.0265 17 C5* 4.7664 2.8902 -0.3640 C.3 1 UNL1 -0.0489 18 C 1.7597 -1.0716 0.2314 C.ar 1 UNL1 0.2728 19 C 2.0258 0.6556 1.6495 C.ar 1 UNL1 0.1528 20 C 0.5181 -0.7018 0.8421 C.ar 1 UNL1 -0.1956 21 C -0.6215 -1.4794 0.4854 C.ar 1 UNL1 0.4600 22 C 0.7656 -2.7432 -0.9397 C.ar 1 UNL1 0.3110 23 C -3.0225 -2.0368 0.6847 C.3 1 UNL1 -0.0754 24 C -4.1739 -1.0999 0.4504 C.ar 1 UNL1 -0.0850 25 C -4.4641 -0.6587 -0.8394 C.ar 1 UNL1 -0.0780 26 C -4.9497 -0.6683 1.5307 C.ar 1 UNL1 -0.1066 27 C -5.5337 0.2039 -1.0636 C.ar 1 UNL1 -0.2605 28 C -6.0180 0.1930 1.3284 C.ar 1 UNL1 -0.1817 29 C -6.3109 0.6254 0.0224 C.ar 1 UNL1 0.1919 30 H2* 3.5276 0.0189 -1.6744 H 1 UNL1 0.1527 31 H1* 4.5981 -1.1248 1.0128 H 1 UNL1 0.1743 32 H3* 5.6170 1.1645 -2.2293 H 1 UNL1 0.1509 33 H4* 6.4726 1.7573 0.4638 H 1 UNL1 0.1846 34 H5*1 3.7384 2.7207 -0.7322 H 1 UNL1 0.1290 35 H5*2 5.3298 3.5038 -1.0929 H 1 UNL1 0.1534 36 H2* 3.9595 -2.1887 -1.3874 H 1 UNL1 0.3734 37 H3* 6.7457 -0.9802 -1.1867 H 1 UNL1 0.3493 38 H 2.5406 1.4284 2.2014 H 1 UNL1 0.2067 39 H5* 4.2895 3.2078 1.5169 H 1 UNL1 0.3176 40 H -1.9536 -0.4564 1.6587 H 1 UNL1 0.3391 41 H 0.8277 -3.5759 -1.6628 H 1 UNL1 0.1986 42 H -3.2432 -2.7596 1.5088 H 1 UNL1 0.1575 43 H -2.8190 -2.6680 -0.2195 H 1 UNL1 0.1907 44 H -3.8498 -0.9869 -1.6810 H 1 UNL1 0.1661 45 H -4.7185 -1.0109 2.5404 H 1 UNL1 0.1604 46 H -5.7517 0.5395 -2.0733 H 1 UNL1 0.1615 47 H -6.6313 0.5360 2.1625 H 1 UNL1 0.1797 @BOND 1 32 15 1 2 46 27 1 3 12 11 2 4 44 25 1 5 30 13 1 6 41 22 1 7 2 36 1 8 2 13 1 9 15 3 1 10 15 13 1 11 15 16 1 12 37 3 1 13 11 10 2 14 35 17 1 15 13 14 1 16 27 25 ar 17 27 29 ar 18 22 7 ar 19 22 9 ar 20 25 24 ar 21 34 17 1 22 7 18 ar 23 9 21 ar 24 17 16 1 25 17 4 1 26 43 23 1 27 10 29 1 28 16 33 1 29 16 1 1 30 29 28 ar 31 18 5 ar 32 18 20 ar 33 24 23 1 34 24 26 ar 35 14 5 1 36 14 1 1 37 14 31 1 38 21 20 ar 39 21 8 1 40 23 8 1 41 23 42 1 42 5 19 ar 43 4 39 1 44 20 6 ar 45 8 40 1 46 28 26 ar 47 28 47 1 48 26 45 1 49 19 6 ar 50 19 38 1