@MOLECULE zalcitabine 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.6242 -0.1575 0.9324 O.3 1 UNL1 -0.1597 2 O 3.1440 2.1959 0.4890 O.3 1 UNL1 -0.3273 3 O -1.6204 -2.3302 0.4470 O.2 1 UNL1 -0.2590 4 N -0.5337 -0.3649 0.0992 N.ar 1 UNL1 -0.2049 5 N -2.9534 -0.4880 0.0803 N.ar 1 UNL1 -0.7526 6 N -4.2148 1.3907 -0.3170 N.pl3 1 UNL1 -1.1689 7 C 0.7365 -1.0786 0.3225 C.3 1 UNL1 -0.2532 8 C 1.3947 -1.5744 -0.9825 C.3 1 UNL1 -0.2885 9 C 2.8836 -1.3145 -0.7264 C.3 1 UNL1 -0.6592 10 C 2.8730 -0.1231 0.2497 C.3 1 UNL1 0.2295 11 C 3.0203 1.2031 -0.5123 C.3 1 UNL1 -0.4667 12 C -0.5776 0.9897 -0.0441 C.ar 1 UNL1 0.4177 13 C -1.7669 -1.1517 0.2282 C.ar 1 UNL1 0.4369 14 C -1.7822 1.6335 -0.2079 C.ar 1 UNL1 -1.0890 15 C -2.9747 0.8368 -0.1486 C.ar 1 UNL1 1.0586 16 H 0.5707 -1.8941 1.0768 H 1 UNL1 0.3106 17 H 1.0280 -1.0215 -1.8640 H 1 UNL1 0.1617 18 H 1.1736 -2.6376 -1.1759 H 1 UNL1 0.2220 19 H 3.3602 -2.1970 -0.2643 H 1 UNL1 0.2565 20 H 3.4423 -1.1130 -1.6512 H 1 UNL1 0.2519 21 H 3.6173 -0.1943 1.0726 H 1 UNL1 0.1638 22 H 2.1438 1.4138 -1.1477 H 1 UNL1 0.2218 23 H 3.9371 1.2016 -1.1283 H 1 UNL1 0.1722 24 H 0.3773 1.5416 -0.0178 H 1 UNL1 0.1171 25 H -1.8348 2.7019 -0.3497 H 1 UNL1 0.3308 26 H 3.2466 3.0778 0.0806 H 1 UNL1 0.2685 27 H -4.3287 2.3677 -0.4533 H 1 UNL1 0.4921 28 H -5.0327 0.8142 -0.2198 H 1 UNL1 0.5171 @BOND 1 17 8 1 2 20 9 1 3 18 8 1 4 22 11 1 5 23 11 1 6 8 9 1 7 8 7 1 8 9 19 1 9 9 10 1 10 11 10 1 11 11 2 1 12 27 6 1 13 25 14 1 14 6 28 1 15 6 15 1 16 14 15 ar 17 14 12 ar 18 15 5 ar 19 12 24 1 20 12 4 ar 21 5 13 ar 22 26 2 1 23 4 13 ar 24 4 7 1 25 13 3 2 26 10 1 1 27 10 21 1 28 7 1 1 29 7 16 1