@MOLECULE n-(4-azidobenzyl)adenosine 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 4.7724 1.0114 1.1851 O.3 1 UNL1 -0.4269 2 O2* 5.2228 -1.8681 -0.6872 O.3 1 UNL1 -0.5418 3 O3* 5.8301 0.9780 -2.1449 O.3 1 UNL1 -0.5471 4 O5* 4.4829 3.7131 0.4123 O.3 1 UNL1 -0.5289 5 N 2.7997 -0.1679 0.9020 N.ar 1 UNL1 -0.3790 6 N 0.7058 0.5612 1.4031 N.ar 1 UNL1 -0.3381 7 N 2.1925 -2.2505 -0.3151 N.ar 1 UNL1 -0.5578 8 N -1.7598 -1.0822 0.4786 N.pl3 1 UNL1 -0.4522 9 N -0.2018 -2.5820 -0.4540 N.ar 1 UNL1 -0.5795 10 N -7.6398 1.2140 0.2945 N.2 1 UNL1 -0.4247 11 N -8.1978 1.8385 -0.6329 N.2 1 UNL1 0.4312 12 N -8.8672 2.4634 -1.3025 N.2 1 UNL1 -0.1679 13 C2* 4.7256 -0.5629 -0.6289 C.3 1 UNL1 0.0381 14 C1* 4.2558 -0.2464 0.8220 C.3 1 UNL1 0.2483 15 C3* 5.8838 0.4321 -0.8506 C.3 1 UNL1 0.0829 16 C4* 5.5572 1.5820 0.1282 C.3 1 UNL1 0.0459 17 C5* 4.7462 2.7006 -0.5337 C.3 1 UNL1 -0.0281 18 C 1.9256 -1.1043 0.3708 C.ar 1 UNL1 0.2726 19 C 2.0052 0.8252 1.5273 C.ar 1 UNL1 0.1493 20 C 0.6118 -0.6305 0.6889 C.ar 1 UNL1 -0.1955 21 C -0.4773 -1.4290 0.2359 C.ar 1 UNL1 0.4568 22 C 1.0856 -2.9294 -0.6864 C.ar 1 UNL1 0.3077 23 C -2.8817 -1.8871 -0.0298 C.3 1 UNL1 -0.0663 24 C -4.1329 -1.0584 0.0168 C.ar 1 UNL1 -0.0880 25 C -4.8298 -0.9212 1.2219 C.ar 1 UNL1 -0.1003 26 C -4.5930 -0.4196 -1.1327 C.ar 1 UNL1 -0.0805 27 C -5.9868 -0.1586 1.2816 C.ar 1 UNL1 -0.1828 28 C -5.7543 0.3482 -1.0941 C.ar 1 UNL1 -0.2623 29 C -6.4504 0.4748 0.1141 C.ar 1 UNL1 0.1939 30 H2* 3.9222 -0.4301 -1.3874 H 1 UNL1 0.1623 31 H1* 4.6396 -0.9753 1.5831 H 1 UNL1 0.1761 32 H3* 6.8769 -0.0317 -0.6810 H 1 UNL1 0.1536 33 H4* 6.4440 1.9790 0.6659 H 1 UNL1 0.1658 34 H5*1 3.7963 2.3346 -0.9607 H 1 UNL1 0.1340 35 H5*2 5.3283 3.2159 -1.3236 H 1 UNL1 0.1668 36 H2* 4.4449 -2.4933 -0.6609 H 1 UNL1 0.3597 37 H3* 6.0194 0.2858 -2.8156 H 1 UNL1 0.3340 38 H 2.4441 1.6703 2.0373 H 1 UNL1 0.2053 39 H5* 3.9684 3.3339 1.1559 H 1 UNL1 0.3137 40 H -1.9652 -0.2106 0.9562 H 1 UNL1 0.3422 41 H 1.2407 -3.8703 -1.2436 H 1 UNL1 0.1976 42 H -2.6552 -2.2463 -1.0659 H 1 UNL1 0.1761 43 H -2.9767 -2.8153 0.5872 H 1 UNL1 0.1638 44 H -4.4617 -1.4166 2.1223 H 1 UNL1 0.1645 45 H -4.0430 -0.5162 -2.0710 H 1 UNL1 0.1638 46 H -6.5396 -0.0453 2.2149 H 1 UNL1 0.1804 47 H -6.1048 0.8380 -1.9981 H 1 UNL1 0.1615 @BOND 1 37 3 1 2 3 15 1 3 45 26 1 4 47 28 1 5 30 13 1 6 35 17 1 7 12 11 2 8 41 22 1 9 26 28 ar 10 26 24 ar 11 28 29 ar 12 42 23 1 13 34 17 1 14 15 32 1 15 15 13 1 16 15 16 1 17 2 36 1 18 2 13 1 19 22 9 ar 20 22 7 ar 21 11 10 2 22 13 14 1 23 17 16 1 24 17 4 1 25 9 21 ar 26 7 18 ar 27 23 24 1 28 23 8 1 29 23 43 1 30 24 25 ar 31 29 10 1 32 29 27 ar 33 16 33 1 34 16 1 1 35 21 8 1 36 21 20 ar 37 18 20 ar 38 18 5 ar 39 4 39 1 40 8 40 1 41 20 6 ar 42 14 5 1 43 14 1 1 44 14 31 1 45 5 19 ar 46 25 27 ar 47 25 44 1 48 27 46 1 49 6 19 ar 50 19 38 1