@MOLECULE 5'-deoxy-5'-(isonicotinoylamino)cytidine 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 2.7348 0.2663 0.3840 N.ar 1 UNL1 -0.5081 2 C 2.6678 -0.1788 -1.0068 C.ar 1 UNL1 0.7284 3 O 2.0773 0.5344 -1.7869 O.2 1 UNL1 -0.5247 4 N 3.2693 -1.3647 -1.3287 N.ar 1 UNL1 -0.6251 5 C 3.8962 -2.0990 -0.3931 C.ar 1 UNL1 0.5061 6 N 4.4313 -3.2808 -0.8150 N.pl3 1 UNL1 -0.5752 7 C 3.9876 -1.6803 0.9805 C.ar 1 UNL1 -0.4687 8 C 3.3693 -0.5079 1.3244 C.ar 1 UNL1 0.1912 9 C -2.1549 -1.5548 0.9783 C.2 1 UNL1 0.5630 10 C -3.8607 -1.6584 -0.8427 C.ar 1 UNL1 -0.2166 11 C -5.0282 -1.1521 -1.4291 C.ar 1 UNL1 0.0512 12 C 1.9270 1.3983 0.8698 C.3 1 UNL1 0.2328 13 N -5.6826 -0.0838 -0.9367 N.ar 1 UNL1 -0.3643 14 C -5.2011 0.5172 0.1670 C.ar 1 UNL1 0.0564 15 C -4.0414 0.0792 0.8221 C.ar 1 UNL1 -0.2187 16 C -3.3725 -1.0225 0.2965 C.ar 1 UNL1 -0.0356 17 O -2.2160 -2.3429 1.8998 O.2 1 UNL1 -0.4968 18 C 1.6832 2.5298 -0.1653 C.3 1 UNL1 0.0663 19 O 1.8037 3.7565 0.4961 O.3 1 UNL1 -0.5370 20 C 0.2324 2.2797 -0.6634 C.3 1 UNL1 0.0606 21 O -0.5665 3.4195 -0.4378 O.3 1 UNL1 -0.5509 22 C -0.3387 1.2006 0.2762 C.3 1 UNL1 0.0622 23 O 0.6671 0.8841 1.2365 O.3 1 UNL1 -0.4251 24 C -0.7313 -0.0907 -0.4686 C.3 1 UNL1 -0.1251 25 N -0.9233 -1.1797 0.4831 N.am 1 UNL1 -0.5683 26 H 4.3489 -3.5537 -1.7783 H 1 UNL1 0.3264 27 H 4.9127 -3.8887 -0.1909 H 1 UNL1 0.3128 28 H 4.5153 -2.2800 1.7090 H 1 UNL1 0.1898 29 H 3.3661 -0.1469 2.3646 H 1 UNL1 0.1735 30 H -3.3579 -2.5274 -1.2612 H 1 UNL1 0.1774 31 H -5.4658 -1.6075 -2.3250 H 1 UNL1 0.1713 32 H 2.3598 1.7967 1.8237 H 1 UNL1 0.1640 33 H -5.7746 1.3789 0.5286 H 1 UNL1 0.1730 34 H -3.6863 0.5818 1.7184 H 1 UNL1 0.1752 35 H 2.4442 2.5907 -0.9715 H 1 UNL1 0.1882 36 H 0.9958 3.9539 1.0305 H 1 UNL1 0.3361 37 H 0.1953 2.0091 -1.7390 H 1 UNL1 0.1639 38 H -0.2517 4.1731 -0.9842 H 1 UNL1 0.3323 39 H -1.1781 1.5907 0.8977 H 1 UNL1 0.1690 40 H 0.0659 -0.3933 -1.1940 H 1 UNL1 0.1812 41 H -1.6456 0.0878 -1.0780 H 1 UNL1 0.1626 42 H -0.0842 -1.4727 0.9715 H 1 UNL1 0.3252 @BOND 1 31 11 1 2 3 2 2 3 26 6 1 4 37 20 1 5 11 13 ar 6 11 10 ar 7 4 2 ar 8 4 5 ar 9 30 10 1 10 40 24 1 11 41 24 1 12 2 1 ar 13 38 21 1 14 35 18 1 15 13 14 ar 16 10 16 ar 17 6 5 1 18 6 27 1 19 20 21 1 20 20 18 1 21 20 22 1 22 24 22 1 23 24 25 1 24 5 7 ar 25 18 19 1 26 18 12 1 27 14 33 1 28 14 15 ar 29 22 39 1 30 22 23 1 31 16 15 ar 32 16 9 1 33 1 12 1 34 1 8 ar 35 25 42 1 36 25 9 am 37 19 36 1 38 15 34 1 39 12 23 1 40 12 32 1 41 9 17 2 42 7 8 ar 43 7 28 1 44 8 29 1