@MOLECULE 5-{[2-(4-azidophenyl)-2-oxoethyl]sulfanyl}uridine 5'-(tetrahydrogen triphosphate) 62 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.9591 2.7849 0.7364 S.3 1 UNL1 0.1697 2 P 1.9864 1.9268 1.9044 P.3 1 UNL1 0.4101 3 P 3.8841 1.6965 -0.5108 P.3 1 UNL1 0.4189 4 P 3.8564 -1.3569 -0.3787 P.3 1 UNL1 0.4149 5 O -1.2739 -1.1816 2.5509 O.3 1 UNL1 -0.4223 6 O 0.4433 -3.6930 2.2652 O.3 1 UNL1 -0.5472 7 O -1.7587 -4.1818 0.8916 O.3 1 UNL1 -0.5526 8 O 1.4453 0.4543 2.1066 O.3 1 UNL1 -0.2090 9 O -4.1395 -2.9944 0.3096 O.2 1 UNL1 -0.5487 10 O 3.1591 1.9288 0.8693 O.3 1 UNL1 -0.2992 11 O 0.7765 2.6839 1.1933 O.3 1 UNL1 -0.3976 12 O 2.5136 2.4431 3.1510 O.2 1 UNL1 -0.2151 13 O -5.8828 1.0053 -0.8877 O.2 1 UNL1 -0.4299 14 O 3.6905 0.1603 -0.7772 O.3 1 UNL1 -0.2512 15 O 5.3694 1.9652 -0.0317 O.3 1 UNL1 -0.3077 16 O 3.4709 2.4331 -1.6798 O.2 1 UNL1 -0.1678 17 O -2.5913 3.7659 -2.2325 O.2 1 UNL1 -0.4036 18 O 5.1222 -1.8689 -1.1742 O.3 1 UNL1 -0.2553 19 O 4.3402 -1.4351 1.1325 O.3 1 UNL1 -0.3787 20 O 2.6311 -2.0404 -0.7604 O.2 1 UNL1 -0.2989 21 N -3.1519 -1.1181 1.1693 N.ar 1 UNL1 -0.4953 22 N -5.0472 -0.9748 -0.2687 N.ar 1 UNL1 -0.6187 23 N -0.2164 -2.1660 -2.7396 N.2 1 UNL1 -0.4603 24 N 0.9729 -2.4863 -2.9846 N.2 1 UNL1 0.4413 25 N 1.9282 -3.0186 -3.2755 N.2 1 UNL1 -0.1260 26 C 0.0911 -2.7140 1.3203 C.3 1 UNL1 0.0862 27 C -1.3661 -2.8430 0.8187 C.3 1 UNL1 0.0314 28 C 0.0726 -1.3739 2.0861 C.3 1 UNL1 0.0529 29 C -2.1712 -2.0007 1.8557 C.3 1 UNL1 0.2437 30 C 0.4604 -0.1563 1.2372 C.3 1 UNL1 -0.0755 31 C -3.1255 0.2488 1.3018 C.ar 1 UNL1 0.2100 32 C -4.1335 -1.7796 0.3847 C.ar 1 UNL1 0.7165 33 C -4.0000 1.0363 0.6120 C.ar 1 UNL1 -0.4455 34 C -5.0373 0.4625 -0.2241 C.ar 1 UNL1 0.6172 35 C -2.3168 3.2265 0.0623 C.3 1 UNL1 -0.4692 36 C -2.2476 2.9515 -1.4163 C.2 1 UNL1 0.4716 37 C -1.6855 1.6313 -1.8024 C.ar 1 UNL1 -0.1986 38 C -0.3078 1.4317 -1.7377 C.ar 1 UNL1 -0.0612 39 C -2.5285 0.6155 -2.2528 C.ar 1 UNL1 -0.0869 40 C 0.2326 0.1990 -2.0867 C.ar 1 UNL1 -0.2485 41 C -2.0094 -0.6345 -2.5614 C.ar 1 UNL1 -0.2200 42 C -0.6218 -0.8445 -2.4636 C.ar 1 UNL1 0.1928 43 H 0.8412 -2.7786 0.5047 H 1 UNL1 0.1773 44 H -1.4798 -2.4799 -0.2275 H 1 UNL1 0.1620 45 H 0.6633 -1.4347 3.0351 H 1 UNL1 0.1899 46 H -2.7057 -2.6200 2.6192 H 1 UNL1 0.1771 47 H -0.4217 0.4838 1.0381 H 1 UNL1 0.1423 48 H 0.9034 -0.4377 0.2604 H 1 UNL1 0.1691 49 H -0.1246 -4.4920 2.1586 H 1 UNL1 0.3496 50 H -2.7078 -4.2482 0.5992 H 1 UNL1 0.3701 51 H -2.3533 0.6572 1.9848 H 1 UNL1 0.2072 52 H -5.7685 -1.4343 -0.8351 H 1 UNL1 0.3518 53 H -2.1984 4.3141 0.2578 H 1 UNL1 0.1937 54 H -1.5031 2.7202 0.6148 H 1 UNL1 0.1874 55 H 1.0881 3.6232 0.9316 H 1 UNL1 0.3300 56 H 5.4502 1.7228 0.9693 H 1 UNL1 0.3276 57 H 0.3535 2.2435 -1.4233 H 1 UNL1 0.1752 58 H -3.5985 0.8083 -2.3743 H 1 UNL1 0.1739 59 H 1.3143 0.0583 -2.0744 H 1 UNL1 0.1986 60 H -2.6592 -1.4429 -2.8982 H 1 UNL1 0.1836 61 H 5.9342 -1.2957 -0.8969 H 1 UNL1 0.3076 62 H 3.5302 -1.2268 1.7340 H 1 UNL1 0.3393 @BOND 1 25 24 2 2 24 23 2 3 60 41 1 4 23 42 1 5 41 42 ar 6 41 39 ar 7 42 40 ar 8 58 39 1 9 39 37 ar 10 17 36 2 11 40 59 1 12 40 38 ar 13 37 38 ar 14 37 36 1 15 38 57 1 16 16 3 2 17 36 35 1 18 18 61 1 19 18 4 1 20 13 34 2 21 52 22 1 22 14 3 1 23 14 4 1 24 20 4 2 25 3 15 1 26 3 10 1 27 4 19 1 28 22 34 ar 29 22 32 ar 30 44 27 1 31 34 33 ar 32 15 56 1 33 35 53 1 34 35 54 1 35 35 1 1 36 48 30 1 37 9 32 2 38 32 21 ar 39 43 26 1 40 50 7 1 41 33 1 1 42 33 31 ar 43 27 7 1 44 27 26 1 45 27 29 1 46 10 2 1 47 55 11 1 48 47 30 1 49 19 62 1 50 21 31 ar 51 21 29 1 52 11 2 1 53 30 28 1 54 30 8 1 55 31 51 1 56 26 28 1 57 26 6 1 58 29 5 1 59 29 46 1 60 2 8 1 61 2 12 2 62 28 5 1 63 28 45 1 64 49 6 1