@MOLECULE (5r,6r)-6-[6-amino-8-(methylsulfanyl)-9h-purin-9-yl]tetrahydro-4h-furo[2,3-d][1,3,2]dioxaphosphinine-2,5-diol 2-oxide 38 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.5482 2.3593 -0.2487 S.3 1 UNL1 0.1352 2 P 3.7874 -0.5114 -0.5312 P.3 1 UNL1 0.3438 3 O 0.4354 1.0216 -1.1022 O.3 1 UNL1 -0.4279 4 O 2.5720 0.1869 -1.3541 O.3 1 UNL1 -0.3143 5 O 4.1063 0.4441 0.7222 O.3 1 UNL1 -0.2881 6 O 0.8777 3.1313 1.2175 O.3 1 UNL1 -0.5421 7 O 3.1293 -1.8389 0.0294 O.3 1 UNL1 -0.3366 8 O 4.9827 -0.7132 -1.3178 O.2 1 UNL1 -0.1323 9 N -1.4489 0.5556 0.1503 N.ar 1 UNL1 -0.3779 10 N -3.5272 -0.3792 -0.0821 N.ar 1 UNL1 -0.3587 11 N -0.1741 -1.5759 0.4893 N.ar 1 UNL1 -0.5357 12 N -1.5821 -3.5441 0.4410 N.ar 1 UNL1 -0.5581 13 N -3.8931 -3.4625 0.0919 N.pl3 1 UNL1 -0.5434 14 C 1.7002 0.9327 0.8860 C.3 1 UNL1 -0.2953 15 C 0.4822 1.7842 1.2113 C.3 1 UNL1 0.1013 16 C -0.3969 1.5407 -0.0877 C.3 1 UNL1 0.2431 17 C 1.8058 1.1337 -0.6518 C.3 1 UNL1 0.3572 18 C 3.0866 1.1590 1.4603 C.3 1 UNL1 -0.0075 19 C -1.2819 -0.8281 0.2542 C.ar 1 UNL1 0.3298 20 C -2.8396 0.7596 -0.0872 C.ar 1 UNL1 0.1403 21 C -2.5966 -1.3949 0.1197 C.ar 1 UNL1 -0.2088 22 C -2.7126 -2.8056 0.2135 C.ar 1 UNL1 0.4660 23 C -0.3973 -2.9078 0.5664 C.ar 1 UNL1 0.2990 24 C -5.1149 1.9897 -1.0871 C.3 1 UNL1 -0.4862 25 H 0.1871 3.7033 1.6095 H 1 UNL1 0.3224 26 H 2.1012 -1.7316 0.0531 H 1 UNL1 0.3384 27 H -3.9302 -4.4619 0.1568 H 1 UNL1 0.3255 28 H -4.7353 -2.9513 -0.0897 H 1 UNL1 0.3270 29 H 1.3814 -0.1268 1.1378 H 1 UNL1 0.2131 30 H -0.0366 1.5209 2.1482 H 1 UNL1 0.1396 31 H -0.8226 2.4913 -0.4908 H 1 UNL1 0.1669 32 H 2.1367 2.1466 -0.9884 H 1 UNL1 0.1441 33 H 3.4125 2.2190 1.4024 H 1 UNL1 0.1428 34 H 3.1870 0.8002 2.5036 H 1 UNL1 0.1332 35 H 0.4856 -3.5497 0.7491 H 1 UNL1 0.2060 36 H -5.7026 2.9134 -1.1523 H 1 UNL1 0.1715 37 H -5.7055 1.2396 -0.5395 H 1 UNL1 0.1874 38 H -4.9569 1.6015 -2.1022 H 1 UNL1 0.1793 @BOND 1 38 24 1 2 4 17 1 3 4 2 1 4 8 2 2 5 36 24 1 6 3 17 1 7 3 16 1 8 24 37 1 9 24 1 1 10 32 17 1 11 17 14 1 12 2 7 1 13 2 5 1 14 31 16 1 15 1 20 1 16 28 13 1 17 16 9 1 18 16 15 1 19 20 10 ar 20 20 9 ar 21 10 21 ar 22 7 26 1 23 13 27 1 24 13 22 1 25 21 22 ar 26 21 19 ar 27 9 19 ar 28 22 12 ar 29 19 11 ar 30 12 23 ar 31 11 23 ar 32 23 35 1 33 5 18 1 34 14 29 1 35 14 15 1 36 14 18 1 37 15 6 1 38 15 30 1 39 6 25 1 40 33 18 1 41 18 34 1