@MOLECULE 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -1.0998 1.8970 -0.5146 P.3 1 UNL1 0.3806 2 P -3.6752 1.2124 1.0173 P.3 1 UNL1 0.4096 3 P -4.0047 -1.3974 -0.5811 P.3 1 UNL1 0.4117 4 O 1.7695 -1.1724 -1.1726 O.3 1 UNL1 -0.4021 5 O 0.9301 -3.7920 0.2937 O.3 1 UNL1 -0.5441 6 O -0.3661 0.4879 -0.6853 O.3 1 UNL1 -0.2577 7 O 5.4676 -1.3453 0.4759 O.2 1 UNL1 -0.5303 8 O -2.2264 1.6539 0.5605 O.3 1 UNL1 -0.3020 9 O -0.1370 2.7867 0.3942 O.3 1 UNL1 -0.3503 10 O -1.3712 2.4217 -1.8336 O.2 1 UNL1 -0.1955 11 O -4.0369 0.0542 0.0293 O.3 1 UNL1 -0.2836 12 O -4.6775 2.3122 0.4870 O.3 1 UNL1 -0.2719 13 O -3.6398 1.0650 2.4538 O.2 1 UNL1 -0.1873 14 O -2.4920 -1.8702 -0.6258 O.3 1 UNL1 -0.3968 15 O -4.6057 -2.3802 0.5038 O.3 1 UNL1 -0.2886 16 O -4.7783 -1.3381 -1.8015 O.2 1 UNL1 -0.1879 17 N 3.7209 -0.1635 -0.3706 N.ar 1 UNL1 -0.5330 18 N 3.5745 -3.5113 0.7591 N.3 1 UNL1 -0.6282 19 N 5.7353 0.9393 0.3882 N.ar 1 UNL1 -0.6274 20 N 5.9364 3.2249 0.2488 N.pl3 1 UNL1 -0.5856 21 C 2.8251 -2.2575 0.7031 C.3 1 UNL1 -0.0598 22 C 1.2896 -2.5126 0.7474 C.3 1 UNL1 0.0843 23 C 0.7121 -1.5207 -0.2815 C.3 1 UNL1 0.0580 24 C 3.0289 -1.4483 -0.6218 C.3 1 UNL1 0.2408 25 C 0.1835 -0.2560 0.4189 C.3 1 UNL1 -0.0774 26 C 3.1782 1.0273 -0.7590 C.ar 1 UNL1 0.2113 27 C 5.0654 -0.2351 0.2048 C.ar 1 UNL1 0.7197 28 C 3.8702 2.1984 -0.5595 C.ar 1 UNL1 -0.4949 29 C 5.1754 2.1115 0.0259 C.ar 1 UNL1 0.5073 30 H 3.1241 -1.6352 1.5867 H 1 UNL1 0.1707 31 H 0.8807 -2.3925 1.7708 H 1 UNL1 0.1331 32 H -0.0397 -1.9929 -0.9578 H 1 UNL1 0.1858 33 H 3.5862 -2.0075 -1.4139 H 1 UNL1 0.1611 34 H 1.0070 0.2956 0.9129 H 1 UNL1 0.1318 35 H -0.5818 -0.5323 1.1743 H 1 UNL1 0.1515 36 H 3.5259 -4.0273 -0.1091 H 1 UNL1 0.2557 37 H 4.5520 -3.3204 0.9693 H 1 UNL1 0.2907 38 H 1.4692 -4.4777 0.7559 H 1 UNL1 0.3412 39 H 2.1799 1.0134 -1.2364 H 1 UNL1 0.2119 40 H 3.4439 3.1514 -0.8410 H 1 UNL1 0.1920 41 H -0.5668 2.9174 1.3206 H 1 UNL1 0.3298 42 H 6.8553 3.1327 0.6422 H 1 UNL1 0.3251 43 H 5.6163 4.1320 -0.0035 H 1 UNL1 0.3107 44 H -4.7785 2.2029 -0.5395 H 1 UNL1 0.3289 45 H -1.9063 -1.1396 -1.0531 H 1 UNL1 0.3494 46 H -3.9016 -2.5351 1.2391 H 1 UNL1 0.3117 @BOND 1 10 1 2 2 16 3 2 3 33 24 1 4 39 26 1 5 4 24 1 6 4 23 1 7 45 14 1 8 32 23 1 9 40 28 1 10 26 28 ar 11 26 17 ar 12 6 1 1 13 6 25 1 14 14 3 1 15 24 17 1 16 24 21 1 17 3 11 1 18 3 15 1 19 28 29 ar 20 44 12 1 21 1 9 1 22 1 8 1 23 17 27 ar 24 23 25 1 25 23 22 1 26 36 18 1 27 43 20 1 28 29 20 1 29 29 19 ar 30 11 2 1 31 27 19 ar 32 27 7 2 33 20 42 1 34 5 22 1 35 5 38 1 36 9 41 1 37 25 34 1 38 25 35 1 39 12 2 1 40 15 46 1 41 8 2 1 42 21 22 1 43 21 18 1 44 21 30 1 45 22 31 1 46 18 37 1 47 2 13 2