@MOLECULE n-{2-[(4-azido-3,5,6-trifluoro-2-pyridinyl)amino]ethyl}adenosine 5'-(dihydrogen phosphate) 38 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 5.0768 3.7467 -0.5954 P.3 1 UNL1 0.5024 2 F -6.8598 -1.7356 0.2075 F 1 UNL1 -0.0985 3 F -5.4159 3.4185 0.2891 F 1 UNL1 -0.0818 4 F -8.0645 2.8318 0.3290 F 1 UNL1 -0.0668 5 O 5.4081 -3.4368 -0.2523 O.2 1 UNL1 -0.3036 6 O 5.6641 -2.2217 2.7072 O.2 1 UNL1 -0.2845 7 O 7.8609 -0.8776 1.1131 O.2 1 UNL1 -0.3532 8 O 4.5382 2.2820 -0.1635 O.3 1 UNL1 -0.1669 9 O 3.8951 4.4380 -0.9919 O.2 1 UNL1 -0.1413 10 O 6.5015 3.6678 -1.2242 O.3 1 UNL1 -0.0453 11 O 6.2931 4.1756 0.2817 O.3 1 UNL1 -0.0540 12 N 3.6414 -2.0850 0.3293 N.ar 1 UNL1 -0.6138 13 N 1.6983 -0.8700 0.6614 N.ar 1 UNL1 -0.4064 14 N 2.6946 -3.4870 -1.5045 N.ar 1 UNL1 -0.5625 15 N -0.7535 -1.1057 -1.2038 N.pl3 1 UNL1 -0.1905 16 N 0.3971 -2.9777 -2.0380 N.ar 1 UNL1 -0.6580 17 N -4.1915 -1.0434 0.2846 N.pl3 1 UNL1 -0.1950 18 N -4.8325 1.2456 0.2266 N.ar 1 UNL1 -0.3951 19 N -8.9564 0.2727 0.2810 N.2 1 UNL1 -0.3791 20 N -9.4637 -0.8813 0.2829 N.2 1 UNL1 0.4321 21 N -10.1481 -1.7804 0.2915 N.2 1 UNL1 -0.0887 22 C 5.7650 -1.8774 1.5706 C.2 1 UNL1 0.2880 23 C 6.6666 -0.7369 1.0815 C.2 1 UNL1 0.4669 24 C 4.9806 -2.5816 0.4571 C.2 1 UNL1 0.4818 25 C 5.9466 0.3767 0.6319 C.1 1 UNL1 -0.4126 26 C 5.3358 1.3574 0.2420 C.1 1 UNL1 0.3083 27 C 2.6907 -2.5823 -0.6161 C.ar 1 UNL1 0.3461 28 C 3.0959 -1.0546 1.1221 C.ar 1 UNL1 0.5236 29 C 1.4507 -1.6804 -0.2980 C.ar 1 UNL1 -0.0009 30 C 0.2965 -2.0001 -1.1870 C.ar 1 UNL1 0.4469 31 C 1.5080 -3.8107 -2.2794 C.ar 1 UNL1 0.6382 32 C -1.8762 -1.1051 -0.7105 C.1 1 UNL1 0.1252 33 C -3.0722 -0.9886 -0.2331 C.1 1 UNL1 0.1761 34 C -5.1970 -0.0596 0.2167 C.ar 1 UNL1 0.2929 35 C -6.5484 -0.4545 0.2314 C.ar 1 UNL1 -0.0183 36 C -7.5828 0.5052 0.2666 C.ar 1 UNL1 0.1599 37 C -5.8093 2.1634 0.2709 C.ar 1 UNL1 0.3152 38 C -7.1818 1.8574 0.2903 C.ar 1 UNL1 0.0132 @BOND 1 31 16 ar 2 31 14 ar 3 16 30 ar 4 14 27 ar 5 10 1 1 6 10 11 1 7 15 30 1 8 15 32 1 9 30 29 ar 10 9 1 2 11 32 33 3 12 27 29 ar 13 27 12 ar 14 1 8 1 15 1 11 1 16 29 13 ar 17 5 24 2 18 33 17 1 19 8 26 1 20 2 35 1 21 34 18 ar 22 34 35 ar 23 34 17 1 24 18 37 ar 25 35 36 ar 26 26 25 3 27 36 19 1 28 36 38 ar 29 37 3 1 30 37 38 ar 31 19 20 2 32 20 21 2 33 38 4 1 34 12 24 am 35 12 28 ar 36 24 22 1 37 25 23 1 38 13 28 ar 39 23 7 2 40 23 22 1 41 22 6 2