@MOLECULE 2'-azido-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 3.3006 1.8572 0.3515 P.3 1 UNL1 0.3825 2 P 3.2008 -1.1995 0.3916 P.3 1 UNL1 0.3696 3 P 1.0968 -1.4373 -1.8094 P.3 1 UNL1 0.3553 4 O -0.6329 1.5879 -0.5685 O.3 1 UNL1 -0.2910 5 O -2.0391 4.3366 1.1702 O.3 1 UNL1 -0.5192 6 O 1.7856 2.2752 0.0671 O.3 1 UNL1 -0.2917 7 O 3.3788 0.3338 0.7601 O.3 1 UNL1 -0.1788 8 O 3.7993 2.0142 -1.1431 O.3 1 UNL1 -0.2708 9 O 4.0546 2.5564 1.3731 O.2 1 UNL1 -0.2148 10 O 1.9750 -0.9572 -0.5990 O.3 1 UNL1 -0.1970 11 O 2.5837 -1.7941 1.7227 O.3 1 UNL1 -0.3098 12 O 4.4356 -1.8554 0.0334 O.2 1 UNL1 -0.1890 13 O 2.1068 -1.8908 -2.9480 O.3 1 UNL1 -0.2886 14 O 0.4283 -2.8399 -1.4184 O.3 1 UNL1 -0.4304 15 O 0.2031 -0.3431 -2.1457 O.2 1 UNL1 -0.2401 16 N -1.8034 -0.1495 0.4072 N.ar 1 UNL1 -0.3895 17 N -3.4521 2.9655 -0.6637 N.2 1 UNL1 -0.4761 18 N -0.7529 -1.7333 1.6597 N.ar 1 UNL1 -0.3823 19 N -3.7219 -1.5135 -0.3811 N.ar 1 UNL1 -0.5156 20 N -4.6592 2.7995 -0.9424 N.2 1 UNL1 0.4382 21 N -3.6911 -3.7691 0.4938 N.ar 1 UNL1 -0.5679 22 N -2.0350 -4.5789 1.9334 N.pl3 1 UNL1 -0.5528 23 N -5.7148 2.8325 -1.3546 N.2 1 UNL1 -0.1649 24 C -2.7968 2.1199 0.3233 C.3 1 UNL1 -0.0779 25 C -1.7194 2.9895 1.0584 C.3 1 UNL1 0.1054 26 C -1.9167 1.0592 -0.4206 C.3 1 UNL1 0.2609 27 C -0.4420 2.7650 0.2204 C.3 1 UNL1 -0.0056 28 C 0.8198 2.5641 1.0812 C.3 1 UNL1 -0.0284 29 C -2.5646 -1.3046 0.2907 C.ar 1 UNL1 0.2848 30 C -0.6998 -0.4760 1.2335 C.ar 1 UNL1 0.1749 31 C -1.9023 -2.2922 1.1007 C.ar 1 UNL1 -0.2203 32 C -2.5299 -3.5594 1.1856 C.ar 1 UNL1 0.4573 33 C -4.2232 -2.7607 -0.2382 C.ar 1 UNL1 0.3036 34 H -3.4945 1.6403 1.0479 H 1 UNL1 0.1695 35 H -1.6118 2.6728 2.1193 H 1 UNL1 0.1551 36 H -2.2653 0.7870 -1.4493 H 1 UNL1 0.1931 37 H -0.2803 3.5752 -0.5279 H 1 UNL1 0.1690 38 H 0.6962 1.7431 1.8146 H 1 UNL1 0.1219 39 H 1.0581 3.4990 1.6254 H 1 UNL1 0.1346 40 H -2.3702 4.7020 0.3155 H 1 UNL1 0.3409 41 H 0.0934 0.2388 1.4443 H 1 UNL1 0.2256 42 H -5.1653 -2.9864 -0.7697 H 1 UNL1 0.2046 43 H -1.1640 -4.4657 2.4163 H 1 UNL1 0.3284 44 H -2.4813 -5.4759 1.9348 H 1 UNL1 0.3252 45 H 3.1177 1.5083 -1.7491 H 1 UNL1 0.3370 46 H 1.5577 -1.7422 1.7160 H 1 UNL1 0.3277 47 H 1.8293 -2.8243 -3.2772 H 1 UNL1 0.3122 48 H -0.3333 -2.6952 -0.7678 H 1 UNL1 0.3251 @BOND 1 47 13 1 2 13 3 1 3 15 3 2 4 3 14 1 5 3 10 1 6 45 8 1 7 36 26 1 8 14 48 1 9 23 20 2 10 8 1 1 11 20 17 2 12 42 33 1 13 17 24 1 14 10 2 1 15 4 26 1 16 4 27 1 17 37 27 1 18 26 24 1 19 26 16 1 20 19 33 ar 21 19 29 ar 22 33 21 ar 23 12 2 2 24 6 1 1 25 6 28 1 26 27 25 1 27 27 28 1 28 29 16 ar 29 29 31 ar 30 40 5 1 31 24 34 1 32 24 25 1 33 1 7 1 34 1 9 2 35 2 7 1 36 2 11 1 37 16 30 ar 38 21 32 ar 39 25 5 1 40 25 35 1 41 28 39 1 42 28 38 1 43 31 32 ar 44 31 18 ar 45 32 22 1 46 30 41 1 47 30 18 ar 48 46 11 1 49 22 44 1 50 22 43 1