@MOLECULE 3'-deoxycytidine 5'-(tetrahydrogen triphosphate) 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.8185 -1.1684 -1.0226 C.3 1 UNL1 0.2422 2 C 1.5245 -1.3605 -0.5375 C.3 1 UNL1 0.1007 3 C 3.7122 -2.2358 0.1074 C.3 1 UNL1 0.1223 4 C 0.8487 -0.2409 0.2753 C.3 1 UNL1 -0.0360 5 H 5.1536 -3.5814 -0.1558 H 1 UNL1 0.3212 6 H 6.6771 3.7408 1.2769 H 1 UNL1 0.3264 7 H 7.3286 3.8600 -0.3076 H 1 UNL1 0.3104 8 O -4.2990 1.2674 2.4642 O.2 1 UNL1 -0.1298 9 O -1.0497 -1.9901 2.0881 O.2 1 UNL1 -0.2078 10 O -6.3749 0.0123 -1.4914 O.2 1 UNL1 -0.2261 11 O 3.6684 0.1504 1.4286 O.2 1 UNL1 -0.4929 12 C 2.2062 -2.4380 0.3070 C.3 1 UNL1 -0.3419 13 O -2.7179 2.2324 0.6718 O.3 1 UNL1 -0.3758 14 O -2.1765 -2.1771 -0.1614 O.3 1 UNL1 -0.3186 15 O 4.2266 -3.4402 -0.4245 O.3 1 UNL1 -0.5640 16 O -3.8584 -0.4990 -1.9485 O.3 1 UNL1 -0.4689 17 O -4.7093 1.8209 -2.1326 O.3 1 UNL1 -0.3300 18 O -2.6129 -0.2193 1.4669 O.3 1 UNL1 -0.2008 19 O -4.6510 0.6460 0.1583 O.3 1 UNL1 -0.1396 20 O -0.5731 -0.2835 0.0918 O.3 1 UNL1 -0.3364 21 C 4.4416 0.6588 0.6512 C.ar 1 UNL1 0.7182 22 C 6.0049 2.2972 -0.0323 C.ar 1 UNL1 0.5061 23 H -1.7968 1.9019 0.3778 H 1 UNL1 0.3326 24 H -2.6822 -1.6014 -0.8569 H 1 UNL1 0.3422 25 H -4.2777 -1.1942 -2.5531 H 1 UNL1 0.3252 26 H -3.7206 2.0678 -2.0015 H 1 UNL1 0.3179 27 O 2.5260 -0.7367 -1.3544 O.3 1 UNL1 -0.4433 28 N 6.7533 3.3778 0.3438 N.pl3 1 UNL1 -0.5852 29 C 5.3464 0.6373 -1.6312 C.ar 1 UNL1 0.1883 30 C 6.0776 1.7635 -1.3663 C.ar 1 UNL1 -0.4765 31 P -3.5607 1.0182 1.2482 P.3 1 UNL1 0.4072 32 P -1.5392 -1.2519 0.9417 P.3 1 UNL1 0.3762 33 P -5.0046 0.4653 -1.3619 P.3 1 UNL1 0.3905 34 N 4.6028 0.0251 -0.6552 N.ar 1 UNL1 -0.5105 35 N 5.2107 1.7686 0.9134 N.ar 1 UNL1 -0.6279 36 H 4.2333 -1.6171 -1.9640 H 1 UNL1 0.1526 37 H 0.8280 -1.7884 -1.2972 H 1 UNL1 0.1551 38 H 4.2523 -1.9732 1.0368 H 1 UNL1 0.1543 39 H 1.9312 -2.3755 1.3767 H 1 UNL1 0.1820 40 H 1.9122 -3.4588 -0.0162 H 1 UNL1 0.1783 41 H 1.1925 -0.2093 1.3283 H 1 UNL1 0.1597 42 H 1.0628 0.7537 -0.1825 H 1 UNL1 0.1467 43 H 5.3481 0.1771 -2.6343 H 1 UNL1 0.1695 44 H 6.6854 2.2402 -2.1222 H 1 UNL1 0.1865 @BOND 1 43 29 1 2 25 16 1 3 17 26 1 4 17 33 1 5 44 30 1 6 36 1 1 7 16 33 1 8 29 30 ar 9 29 34 ar 10 10 33 2 11 30 22 ar 12 33 19 1 13 27 1 1 14 27 2 1 15 37 2 1 16 1 34 1 17 1 3 1 18 24 14 1 19 34 21 ar 20 2 4 1 21 2 12 1 22 15 5 1 23 15 3 1 24 7 28 1 25 42 4 1 26 14 32 1 27 22 28 1 28 22 35 ar 29 40 12 1 30 20 4 1 31 20 32 1 32 3 12 1 33 3 38 1 34 19 31 1 35 4 41 1 36 12 39 1 37 28 6 1 38 23 13 1 39 21 35 ar 40 21 11 2 41 13 31 1 42 32 18 1 43 32 9 2 44 31 18 1 45 31 8 2