@MOLECULE 7-(5-s-methyl-5-thio-beta-d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.3808 -0.7618 -0.8032 C.3 1 UNL1 0.2337 2 C -0.5467 -1.7449 0.3968 C.3 1 UNL1 0.0407 3 C -2.0777 -1.8377 0.5730 C.3 1 UNL1 0.0823 4 C -2.5831 -0.5072 -0.0488 C.3 1 UNL1 0.0754 5 C 0.5762 1.6192 -0.6258 C.ar 1 UNL1 -0.0066 6 C 1.8145 2.1781 -0.3631 C.ar 1 UNL1 -0.2049 7 C 3.7975 -1.3903 0.2552 C.ar 1 UNL1 0.3043 8 C -2.7850 0.5707 1.0039 C.3 1 UNL1 -0.3854 9 C -5.2130 1.5505 -0.1358 C.3 1 UNL1 -0.5050 10 H 0.9564 -2.9164 -0.0410 H 1 UNL1 0.3730 11 H -1.9853 -3.4807 -0.5232 H 1 UNL1 0.3507 12 H 5.9293 1.8059 0.5654 H 1 UNL1 0.3243 13 H 4.6615 2.9196 0.2333 H 1 UNL1 0.3145 14 C 4.0972 0.9371 0.2078 C.ar 1 UNL1 0.4701 15 O -0.0373 -3.0003 0.0478 O.3 1 UNL1 -0.5560 16 O -2.6753 -2.8815 -0.1494 O.3 1 UNL1 -0.5409 17 O -1.5912 -0.0730 -0.9858 O.3 1 UNL1 -0.3876 18 N 4.9658 1.9786 0.3492 N.pl3 1 UNL1 -0.5767 19 N 2.4839 -1.3647 -0.0374 N.ar 1 UNL1 -0.5671 20 N 4.6147 -0.3161 0.3823 N.ar 1 UNL1 -0.5792 21 S -3.5457 2.1002 0.3419 S.3 1 UNL1 0.0242 22 C 1.9732 -0.1104 -0.2181 C.ar 1 UNL1 0.2961 23 C 2.7247 1.1055 -0.1031 C.ar 1 UNL1 -0.3007 24 N 0.6669 0.2205 -0.5287 N.ar 1 UNL1 -0.3270 25 H -0.1652 -1.2832 -1.7723 H 1 UNL1 0.1740 26 H -0.0418 -1.3862 1.3192 H 1 UNL1 0.1520 27 H -2.3885 -1.9894 1.6254 H 1 UNL1 0.1484 28 H -3.4778 -0.6869 -0.6888 H 1 UNL1 0.1716 29 H -0.3622 2.0878 -0.8767 H 1 UNL1 0.1951 30 H 2.0577 3.2185 -0.3560 H 1 UNL1 0.1658 31 H -3.3905 0.1893 1.8462 H 1 UNL1 0.1653 32 H -1.8093 0.8857 1.4302 H 1 UNL1 0.1809 33 H 4.2644 -2.3782 0.4080 H 1 UNL1 0.1956 34 H -5.1924 0.9051 -1.0210 H 1 UNL1 0.1661 35 H -5.7249 1.0184 0.6711 H 1 UNL1 0.1614 36 H -5.8077 2.4390 -0.3840 H 1 UNL1 0.1717 @BOND 1 25 1 1 2 34 9 1 3 17 1 1 4 17 4 1 5 29 5 1 6 1 24 1 7 1 2 1 8 28 4 1 9 5 24 ar 10 5 6 ar 11 24 22 ar 12 11 16 1 13 36 9 1 14 6 30 1 15 6 23 ar 16 22 23 ar 17 22 19 ar 18 16 3 1 19 9 21 1 20 9 35 1 21 23 14 ar 22 4 3 1 23 4 8 1 24 10 15 1 25 19 7 ar 26 15 2 1 27 14 18 1 28 14 20 ar 29 13 18 1 30 7 20 ar 31 7 33 1 32 21 8 1 33 18 12 1 34 2 3 1 35 2 26 1 36 3 27 1 37 8 32 1 38 8 31 1