@MOLECULE 3'-o-(5-azido-1-naphthoyl)adenosine 5'-(trihydrogen diphosphate) 62 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.8432 -3.1867 -1.0730 P.3 1 UNL1 0.3864 2 P -5.5392 -2.7541 0.4285 P.3 1 UNL1 0.4039 3 O -0.5780 0.4667 -0.6304 O.3 1 UNL1 -0.3761 4 O 1.6076 0.1064 1.3171 O.3 1 UNL1 -0.4462 5 O 0.4716 2.2074 2.2850 O.3 1 UNL1 -0.4857 6 O -2.1296 -1.7891 -0.8340 O.3 1 UNL1 -0.1911 7 O 2.1521 -1.9999 1.8741 O.2 1 UNL1 -0.4738 8 O -4.2034 -3.1604 -0.2858 O.3 1 UNL1 -0.3935 9 O -2.0318 -4.2387 -0.2111 O.3 1 UNL1 -0.3440 10 O -2.9697 -3.4383 -2.4908 O.2 1 UNL1 -0.1868 11 O -5.4685 -1.2060 0.7477 O.3 1 UNL1 -0.3041 12 O -6.6038 -2.8461 -0.7525 O.3 1 UNL1 -0.3691 13 O -5.7585 -3.5621 1.6068 O.2 1 UNL1 -0.1836 14 N -1.7362 2.4053 -0.1775 N.ar 1 UNL1 -0.3742 15 N -3.8847 2.8930 -0.7431 N.ar 1 UNL1 -0.3573 16 N -0.8236 4.7115 -0.1260 N.ar 1 UNL1 -0.5047 17 N -2.4968 6.3913 -0.6045 N.ar 1 UNL1 -0.5724 18 N -4.7251 5.9139 -1.0947 N.pl3 1 UNL1 -0.5550 19 N 8.2489 -0.4280 -0.7146 N.2 1 UNL1 -0.4409 20 N 8.6431 0.0444 -1.7980 N.2 1 UNL1 0.4327 21 N 9.1929 0.5576 -2.6488 N.2 1 UNL1 -0.1887 22 C 0.2247 -0.1237 1.5284 C.3 1 UNL1 0.0226 23 C -0.3508 1.3186 1.6108 C.3 1 UNL1 0.0636 24 C -0.3944 -0.6632 0.2266 C.3 1 UNL1 0.0359 25 C -0.5098 1.6751 0.0969 C.3 1 UNL1 0.2283 26 C -1.7581 -1.3280 0.4798 C.3 1 UNL1 -0.0747 27 C -1.8045 3.7866 -0.2912 C.ar 1 UNL1 0.2836 28 C -3.0261 1.9070 -0.4900 C.ar 1 UNL1 0.1498 29 C -3.1671 4.0844 -0.6282 C.ar 1 UNL1 -0.1992 30 C 2.4990 -0.8971 1.5554 C.2 1 UNL1 0.6165 31 C 3.8427 -0.3298 1.3401 C.ar 1 UNL1 -0.1531 32 C -3.4834 5.4609 -0.7804 C.ar 1 UNL1 0.4659 33 C 4.7803 -0.9999 0.5074 C.ar 1 UNL1 0.0439 34 C -1.2407 5.9837 -0.2957 C.ar 1 UNL1 0.2998 35 C 4.1446 0.8758 1.9339 C.ar 1 UNL1 -0.0600 36 C 6.0278 -0.3763 0.2781 C.ar 1 UNL1 -0.0433 37 C 4.5011 -2.2547 -0.1034 C.ar 1 UNL1 -0.1555 38 C 5.4051 1.4777 1.7158 C.ar 1 UNL1 -0.1767 39 C 6.3238 0.8679 0.8996 C.ar 1 UNL1 -0.0786 40 C 6.9653 -1.0295 -0.5888 C.ar 1 UNL1 0.1412 41 C 5.4213 -2.8535 -0.9240 C.ar 1 UNL1 -0.1134 42 C 6.6692 -2.2384 -1.1802 C.ar 1 UNL1 -0.1785 43 H 0.0623 -0.7445 2.4249 H 1 UNL1 0.1634 44 H -1.3050 1.3687 2.1774 H 1 UNL1 0.1706 45 H 0.2961 -1.3178 -0.3505 H 1 UNL1 0.1829 46 H 0.3697 2.2492 -0.3062 H 1 UNL1 0.1838 47 H -2.5251 -0.5838 0.7796 H 1 UNL1 0.1410 48 H -1.6789 -2.0928 1.2773 H 1 UNL1 0.1498 49 H 1.3739 2.2382 1.8775 H 1 UNL1 0.3279 50 H -3.2345 0.8438 -0.5351 H 1 UNL1 0.2175 51 H -0.4863 6.7789 -0.1736 H 1 UNL1 0.2006 52 H 3.4206 1.3839 2.5773 H 1 UNL1 0.1659 53 H -5.4759 5.2666 -1.2333 H 1 UNL1 0.3261 54 H -4.8998 6.8956 -1.1842 H 1 UNL1 0.3242 55 H 3.5458 -2.7451 0.0989 H 1 UNL1 0.1806 56 H 5.6322 2.4277 2.1987 H 1 UNL1 0.1680 57 H -2.6694 -4.7252 0.4331 H 1 UNL1 0.3370 58 H 7.3021 1.3259 0.7216 H 1 UNL1 0.1744 59 H 5.2065 -3.8178 -1.3901 H 1 UNL1 0.1665 60 H 7.3871 -2.7353 -1.8321 H 1 UNL1 0.1702 61 H -5.5685 -0.6688 -0.1217 H 1 UNL1 0.3166 62 H -6.1791 -3.3314 -1.5541 H 1 UNL1 0.3391 @BOND 1 21 20 2 2 10 1 2 3 60 42 1 4 20 19 2 5 62 12 1 6 59 41 1 7 53 18 1 8 54 18 1 9 42 41 ar 10 42 40 ar 11 18 32 1 12 1 6 1 13 1 8 1 14 1 9 1 15 41 37 ar 16 6 26 1 17 32 29 ar 18 32 17 ar 19 12 2 1 20 15 29 ar 21 15 28 ar 22 19 40 1 23 3 25 1 24 3 24 1 25 29 27 ar 26 17 34 ar 27 40 36 ar 28 50 28 1 29 28 14 ar 30 45 24 1 31 46 25 1 32 34 51 1 33 34 16 ar 34 27 14 ar 35 27 16 ar 36 8 2 1 37 9 57 1 38 14 25 1 39 61 11 1 40 37 55 1 41 37 33 ar 42 25 23 1 43 24 26 1 44 24 22 1 45 36 33 ar 46 36 39 ar 47 2 11 1 48 2 13 2 49 26 47 1 50 26 48 1 51 33 31 ar 52 58 39 1 53 39 38 ar 54 4 22 1 55 4 30 1 56 31 30 1 57 31 35 ar 58 22 23 1 59 22 43 1 60 30 7 2 61 23 44 1 62 23 5 1 63 38 35 ar 64 38 56 1 65 49 5 1 66 35 52 1