@MOLECULE 2'-deoxy-4'-ethynylcytidine 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.0448 0.1584 1.0788 O.3 1 UNL1 -0.4251 2 O 3.0683 -1.8040 -0.4842 O.3 1 UNL1 -0.5387 3 O 2.6044 1.8728 -1.7143 O.3 1 UNL1 -0.5265 4 O -1.9278 -2.3397 -0.1417 O.2 1 UNL1 -0.4845 5 N -1.1574 -0.2847 0.4555 N.ar 1 UNL1 -0.5259 6 N -3.4474 -0.6136 -0.2635 N.ar 1 UNL1 -0.6297 7 N -4.9101 1.1584 -0.3435 N.pl3 1 UNL1 -0.5906 8 C 2.0577 0.3651 0.0865 C.3 1 UNL1 0.1849 9 C 2.0571 -0.8915 -0.8365 C.3 1 UNL1 0.1325 10 C 0.7414 -1.6053 -0.5155 C.3 1 UNL1 -0.3544 11 C 0.1733 -0.8936 0.7205 C.3 1 UNL1 0.3215 12 C 1.6553 1.6360 -0.7040 C.3 1 UNL1 -0.0452 13 C 3.2974 0.5568 0.7883 C.1 1 UNL1 -0.1193 14 C -1.4020 1.0299 0.7115 C.ar 1 UNL1 0.2018 15 C -2.2269 -1.1773 -0.0126 C.ar 1 UNL1 0.7149 16 C -2.6420 1.5718 0.4663 C.ar 1 UNL1 -0.4997 17 C -3.6578 0.6970 -0.0455 C.ar 1 UNL1 0.5097 18 C 4.3319 0.7146 1.3964 C.1 1 UNL1 -0.1553 19 H 2.1789 -0.6198 -1.9066 H 1 UNL1 0.1503 20 H 0.0466 -1.6024 -1.3756 H 1 UNL1 0.1871 21 H 0.9207 -2.6831 -0.3034 H 1 UNL1 0.2040 22 H 0.0983 -1.5348 1.6348 H 1 UNL1 0.1685 23 H 1.5588 2.5123 -0.0419 H 1 UNL1 0.1325 24 H 0.7110 1.4864 -1.2626 H 1 UNL1 0.1601 25 H 3.9585 -1.4138 -0.5993 H 1 UNL1 0.3192 26 H -0.5828 1.6430 1.1201 H 1 UNL1 0.1811 27 H 3.4569 2.1677 -1.3286 H 1 UNL1 0.3166 28 H -2.8511 2.6127 0.6581 H 1 UNL1 0.1831 29 H 5.2128 0.8462 1.9148 H 1 UNL1 0.1918 30 H -5.1653 2.1066 -0.1885 H 1 UNL1 0.3098 31 H -5.6083 0.5250 -0.6882 H 1 UNL1 0.3253 @BOND 1 19 9 1 2 3 27 1 3 3 12 1 4 20 10 1 5 24 12 1 6 9 10 1 7 9 2 1 8 9 8 1 9 12 23 1 10 12 8 1 11 31 7 1 12 25 2 1 13 10 21 1 14 10 11 1 15 7 30 1 16 7 17 1 17 6 17 ar 18 6 15 ar 19 4 15 2 20 17 16 ar 21 15 5 ar 22 8 13 1 23 8 1 1 24 5 14 ar 25 5 11 1 26 16 28 1 27 16 14 ar 28 14 26 1 29 11 1 1 30 11 22 1 31 13 18 3 32 18 29 1