@MOLECULE 1-(3-c-ethynylribopentofuranosyl)cytosine 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.6960 -0.3769 -1.5657 O.3 1 UNL1 -0.4347 2 O -3.6123 -0.6163 -0.1813 O.3 1 UNL1 -0.5276 3 O -2.0051 -2.4613 0.4749 O.3 1 UNL1 -0.5590 4 O -0.3158 2.2316 -2.1092 O.3 1 UNL1 -0.5253 5 O 0.3595 0.5634 1.5168 O.2 1 UNL1 -0.4980 6 N 1.0641 -0.8538 -0.1339 N.ar 1 UNL1 -0.5100 7 N 2.6052 0.5738 1.0797 N.ar 1 UNL1 -0.6221 8 N 4.8530 0.5729 0.5945 N.pl3 1 UNL1 -0.5797 9 C -2.3508 -0.0631 0.1367 C.3 1 UNL1 0.2446 10 C -1.3681 -1.2082 0.5747 C.3 1 UNL1 0.0550 11 C -1.7114 0.5327 -1.1469 C.3 1 UNL1 0.0225 12 C -0.2951 -1.2524 -0.5366 C.3 1 UNL1 0.2602 13 C -1.0824 1.9198 -0.9663 C.3 1 UNL1 -0.0464 14 C -2.5812 0.8854 1.1892 C.1 1 UNL1 -0.1267 15 C 2.1013 -1.3154 -0.9077 C.ar 1 UNL1 0.1921 16 C 1.3126 0.1606 0.8929 C.ar 1 UNL1 0.7220 17 C 3.3881 -0.8960 -0.7002 C.ar 1 UNL1 -0.4730 18 C -2.7652 1.6757 2.0868 C.1 1 UNL1 -0.1142 19 C 3.6060 0.0837 0.3313 C.ar 1 UNL1 0.5068 20 H -3.5095 -1.3402 -0.8452 H 1 UNL1 0.3303 21 H -2.8016 -2.4833 1.0560 H 1 UNL1 0.3444 22 H 0.3755 1.5431 -2.2207 H 1 UNL1 0.3177 23 H 4.9798 1.2636 1.3128 H 1 UNL1 0.3266 24 H 5.6494 0.2747 0.0783 H 1 UNL1 0.3111 25 H -0.9810 -1.0883 1.6075 H 1 UNL1 0.1852 26 H -2.4223 0.5278 -2.0051 H 1 UNL1 0.1696 27 H -0.2641 -2.2653 -1.0265 H 1 UNL1 0.1724 28 H -1.8505 2.7152 -0.9329 H 1 UNL1 0.1553 29 H -0.4434 1.9893 -0.0659 H 1 UNL1 0.1539 30 H 1.8602 -2.0428 -1.6982 H 1 UNL1 0.1711 31 H 4.2119 -1.2735 -1.2887 H 1 UNL1 0.1871 32 H -2.9076 2.3504 2.8517 H 1 UNL1 0.1888 @BOND 1 22 4 1 2 4 13 1 3 26 11 1 4 30 15 1 5 1 11 1 6 1 12 1 7 31 17 1 8 11 13 1 9 11 9 1 10 27 12 1 11 13 28 1 12 13 29 1 13 15 17 ar 14 15 6 ar 15 20 2 1 16 17 19 ar 17 12 6 1 18 12 10 1 19 2 9 1 20 6 16 ar 21 24 8 1 22 9 10 1 23 9 14 1 24 19 8 1 25 19 7 ar 26 3 10 1 27 3 21 1 28 10 25 1 29 8 23 1 30 16 7 ar 31 16 5 2 32 14 18 3 33 18 32 1