@MOLECULE 5'-o-[hydroxy(4-nitrophenoxy)phosphorothioyl]adenosine 32 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.2285 4.1398 -1.1552 S.3 1 UNL1 0.1355 2 P 3.1993 2.6680 -0.0530 P.3 1 UNL1 0.3267 3 O -1.5721 0.6096 0.3733 O.3 1 UNL1 -0.0690 4 O -2.1951 -0.9344 3.4851 O.2 1 UNL1 -0.2669 5 O 0.4339 0.4766 3.2962 O.2 1 UNL1 -0.3094 6 O 1.2793 2.4795 0.0791 O.3 1 UNL1 -0.1207 7 O 3.3452 1.4213 -1.0750 O.3 1 UNL1 -0.3455 8 O 3.4100 2.2376 1.3124 O.2 1 UNL1 -0.2520 9 O 5.0528 -4.7144 -0.6435 O.2 1 UNL1 -0.3865 10 O 2.9511 -4.9095 -0.1964 O.2 1 UNL1 -0.3796 11 N -3.6603 -0.3056 0.8298 N.ar 1 UNL1 -0.4436 12 N -5.9012 -0.8417 0.7884 N.ar 1 UNL1 -0.4481 13 N -3.4908 0.2784 -1.5826 N.ar 1 UNL1 -0.3343 14 N -5.6043 0.0443 -2.8307 N.ar 1 UNL1 -0.3286 15 N -7.6239 -0.6205 -1.8044 N.pl3 1 UNL1 -0.0406 16 N 3.9414 -4.2504 -0.4562 N.pl3 1 UNL1 0.6721 17 C -1.7645 -0.3238 2.5520 C.2 1 UNL1 0.3112 18 C -0.4038 0.3929 2.4532 C.2 1 UNL1 0.3994 19 C -2.3736 -0.0652 1.2502 C.3 1 UNL1 0.0717 20 C -0.4106 0.9645 1.1025 C.3 1 UNL1 -0.3296 21 C 0.4895 1.7418 0.5258 C.3 1 UNL1 0.5549 22 C -4.0922 -0.1116 -0.4966 C.ar 1 UNL1 0.2357 23 C -4.7308 -0.7661 1.6744 C.ar 1 UNL1 0.5990 24 C -5.6067 -0.4955 -0.4158 C.ar 1 UNL1 0.1259 25 C -6.3876 -0.3890 -1.6624 C.ar 1 UNL1 0.1655 26 C -4.3925 0.2866 -2.6313 C.ar 1 UNL1 0.3428 27 C 3.4930 0.1328 -0.7977 C.ar 1 UNL1 0.3694 28 C 2.5683 -0.7806 -0.2884 C.ar 1 UNL1 -0.2068 29 C 4.6222 -0.6036 -1.1733 C.ar 1 UNL1 -0.1272 30 C 2.7037 -2.0543 -0.1910 C.ar 1 UNL1 0.0927 31 C 4.7531 -1.9504 -1.0630 C.ar 1 UNL1 0.1848 32 C 3.7917 -2.8260 -0.5560 C.ar 1 UNL1 -0.1989 @BOND 1 14 26 ar 2 14 25 ar 3 26 13 ar 4 15 25 1 5 25 24 ar 6 13 22 ar 7 29 31 ar 8 29 27 ar 9 1 2 1 10 7 27 1 11 7 2 1 12 31 32 ar 13 27 28 ar 14 9 16 2 15 32 16 1 16 32 30 ar 17 22 24 ar 18 22 11 ar 19 16 10 2 20 24 12 ar 21 28 30 ar 22 2 6 1 23 2 8 2 24 6 21 1 25 3 20 1 26 3 19 1 27 21 20 1 28 12 23 ar 29 11 19 1 30 11 23 ar 31 20 18 1 32 19 17 1 33 18 17 1 34 18 5 2 35 17 4 2