@MOLECULE 3'-azido-3'-deoxyadenosine 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.5553 0.4664 -0.5221 O.2 1 UNL1 -0.3643 2 O 1.6781 -2.9220 0.2659 O.2 1 UNL1 -0.1485 3 O 3.1051 1.5706 -2.4750 O.2 1 UNL1 -0.1796 4 N -1.2930 1.4195 0.2978 N.ar 1 UNL1 -0.6485 5 N 3.3990 -0.1832 1.2978 N.2 1 UNL1 -0.3653 6 N -3.4409 2.0588 0.8013 N.ar 1 UNL1 -0.4463 7 N -1.6881 -0.8570 -0.3227 N.pl3 1 UNL1 -0.3029 8 N 4.6285 -0.0113 1.0942 N.2 1 UNL1 0.4011 9 N -2.8956 -3.0011 -0.7964 N.1 1 UNL1 -0.1598 10 N -5.7001 -0.5472 0.1835 N.1 1 UNL1 -0.0771 11 N 5.7326 0.2422 1.1811 N.2 1 UNL1 -0.1953 12 C 2.0873 -1.8486 0.2587 C.1 1 UNL1 0.5422 13 C 0.1081 1.5503 0.1032 C.3 1 UNL1 0.5231 14 C 2.5560 -0.5816 0.2494 C.2 1 UNL1 -0.2022 15 C 1.9319 0.3524 -0.6515 C.2 1 UNL1 -0.0804 16 C 2.5423 1.0057 -1.6382 C.1 1 UNL1 0.4356 17 C -2.1401 0.2745 0.0521 C.ar 1 UNL1 0.2832 18 C -2.0443 2.5188 0.7773 C.ar 1 UNL1 0.5608 19 C -3.5432 0.8358 0.4037 C.ar 1 UNL1 0.1854 20 C -4.7267 0.0683 0.2828 C.1 1 UNL1 0.0493 21 C -2.4160 -1.9713 -0.5569 C.1 1 UNL1 0.1896 @BOND 1 3 16 2 2 16 15 2 3 9 21 3 4 15 1 1 5 15 14 1 6 21 7 1 7 1 13 1 8 7 17 1 9 17 4 ar 10 17 19 ar 11 13 4 1 12 10 20 3 13 14 12 2 14 14 5 1 15 12 2 2 16 20 19 1 17 4 18 ar 18 19 6 ar 19 18 6 ar 20 8 11 2 21 8 5 2