@MOLECULE 2'-deoxy-5'-o-thiophosphonocytidine 34 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -2.7299 -2.0746 -0.7710 S.3 1 UNL1 -0.0342 2 P -2.8134 -0.3937 0.0388 P.3 1 UNL1 0.2981 3 O 0.2714 1.5701 1.0233 O.3 1 UNL1 -0.4621 4 O 0.8197 4.3574 -0.2567 O.3 1 UNL1 -0.5411 5 O -2.2726 0.9772 -0.6353 O.3 1 UNL1 -0.3904 6 O 3.9054 0.2697 -0.3770 O.2 1 UNL1 -0.5004 7 O -4.2952 0.1528 0.2720 O.3 1 UNL1 -0.3233 8 O -2.1299 -0.3325 1.4854 O.3 1 UNL1 -0.4304 9 N 1.8612 -0.0787 0.5721 N.ar 1 UNL1 -0.5411 10 N 3.1039 -1.8812 -0.4588 N.ar 1 UNL1 -0.6356 11 N 2.2846 -4.0314 -0.4351 N.pl3 1 UNL1 -0.5874 12 C 0.8208 3.0429 -0.7426 C.3 1 UNL1 0.1262 13 C -0.3224 2.2313 -0.0914 C.3 1 UNL1 0.0229 14 C 2.0881 2.2760 -0.3407 C.3 1 UNL1 -0.3973 15 C 1.6618 1.3670 0.8242 C.3 1 UNL1 0.3235 16 C -0.9327 1.2131 -1.0649 C.3 1 UNL1 -0.0378 17 C 0.9519 -0.9728 1.0740 C.ar 1 UNL1 0.2082 18 C 3.0546 -0.5532 -0.1332 C.ar 1 UNL1 0.7173 19 C 1.0563 -2.3108 0.7917 C.ar 1 UNL1 -0.4756 20 C 2.1490 -2.7306 -0.0377 C.ar 1 UNL1 0.5080 21 H 0.7133 3.1935 -1.8363 H 1 UNL1 0.1585 22 H -1.0980 2.8806 0.3717 H 1 UNL1 0.1695 23 H 2.5002 1.7172 -1.2049 H 1 UNL1 0.2017 24 H 2.9106 2.9549 -0.0496 H 1 UNL1 0.1878 25 H 2.1244 1.6305 1.8073 H 1 UNL1 0.1505 26 H -0.2804 0.3261 -1.1826 H 1 UNL1 0.1476 27 H -1.0972 1.6624 -2.0718 H 1 UNL1 0.1473 28 H 0.9889 4.3857 0.7080 H 1 UNL1 0.3213 29 H 0.1447 -0.5849 1.7180 H 1 UNL1 0.1944 30 H 0.3315 -3.0213 1.1679 H 1 UNL1 0.1962 31 H 1.6184 -4.7239 -0.1765 H 1 UNL1 0.3123 32 H 3.0627 -4.3035 -1.0063 H 1 UNL1 0.3232 33 H -4.2946 1.1456 0.5185 H 1 UNL1 0.3130 34 H -1.7810 0.5941 1.7121 H 1 UNL1 0.3293 @BOND 1 27 16 1 2 21 12 1 3 23 14 1 4 26 16 1 5 16 5 1 6 16 13 1 7 32 11 1 8 1 2 1 9 12 14 1 10 12 4 1 11 12 13 1 12 5 2 1 13 10 18 ar 14 10 20 ar 15 11 31 1 16 11 20 1 17 6 18 2 18 14 24 1 19 14 15 1 20 4 28 1 21 18 9 ar 22 13 22 1 23 13 3 1 24 20 19 ar 25 2 7 1 26 2 8 1 27 7 33 1 28 9 15 1 29 9 17 ar 30 19 17 ar 31 19 30 1 32 15 3 1 33 15 25 1 34 17 29 1 35 8 34 1