@MOLECULE deoxycytidine triphosphate 44 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.4619 1.2799 0.7329 C.3 1 UNL1 0.0269 2 C 3.7082 1.1085 1.4063 C.3 1 UNL1 0.3104 3 C 2.2190 2.3794 -0.0420 C.3 1 UNL1 0.1447 4 C 0.7977 0.2132 -0.1499 C.3 1 UNL1 -0.0248 5 H 0.7984 3.7513 -0.0880 H 1 UNL1 0.3341 6 H 7.2430 -3.7012 -0.2250 H 1 UNL1 0.3108 7 H 6.3887 -3.4563 -1.6938 H 1 UNL1 0.3261 8 O -4.1244 -1.5145 -2.3376 O.2 1 UNL1 -0.1318 9 O -0.7624 1.7918 -2.4351 O.2 1 UNL1 -0.2112 10 O 3.4952 0.1885 -1.2066 O.2 1 UNL1 -0.4971 11 O -5.8670 0.2899 1.4653 O.2 1 UNL1 -0.1857 12 C 3.6517 2.3566 0.5170 C.3 1 UNL1 -0.3601 13 O 1.6934 3.6490 0.2977 O.3 1 UNL1 -0.5752 14 O -2.1123 2.3909 -0.4100 O.3 1 UNL1 -0.3348 15 O -3.4919 -0.1353 2.4263 O.3 1 UNL1 -0.4042 16 O -4.9795 -2.0344 1.9556 O.3 1 UNL1 -0.2831 17 O -2.2733 -2.2443 -0.7409 O.3 1 UNL1 -0.3457 18 O -2.5024 0.1744 -1.6918 O.3 1 UNL1 -0.1251 19 O -0.6162 0.4343 -0.1279 O.3 1 UNL1 -0.3756 20 O -4.0210 -0.6025 0.0503 O.3 1 UNL1 -0.3261 21 C 5.8972 -2.1296 -0.1960 C.ar 1 UNL1 0.5061 22 C 4.2906 -0.4328 -0.5453 C.ar 1 UNL1 0.7258 23 H -2.6872 1.9770 0.3258 H 1 UNL1 0.3160 24 H -2.9298 0.5880 1.9885 H 1 UNL1 0.3202 25 H -4.0928 -2.5585 1.9461 H 1 UNL1 0.3105 26 H -1.5491 -1.8157 -0.1528 H 1 UNL1 0.3274 27 O 2.4053 0.6044 1.5703 O.3 1 UNL1 -0.4364 28 N 6.5702 -3.1847 -0.7449 N.pl3 1 UNL1 -0.5858 29 C 5.4041 -0.6555 1.6314 C.ar 1 UNL1 0.1864 30 C 6.1281 -1.7219 1.1634 C.ar 1 UNL1 -0.4810 31 P -3.2877 -1.1299 -1.2280 P.3 1 UNL1 0.4179 32 P -1.4209 1.2474 -1.2657 P.3 1 UNL1 0.3808 33 P -4.6979 -0.5581 1.4635 P.3 1 UNL1 0.4066 34 N 4.5255 0.0161 0.8264 N.ar 1 UNL1 -0.5134 35 N 5.0129 -1.5112 -0.9935 N.ar 1 UNL1 -0.6308 36 H 0.7377 1.7220 1.4573 H 1 UNL1 0.1615 37 H 4.0617 1.3163 2.4472 H 1 UNL1 0.1362 38 H 2.1863 2.2565 -1.1464 H 1 UNL1 0.1599 39 H 1.2590 0.1361 -1.1563 H 1 UNL1 0.1677 40 H 0.8653 -0.7862 0.3371 H 1 UNL1 0.1413 41 H 3.8434 3.2793 1.0990 H 1 UNL1 0.1789 42 H 4.3992 2.3418 -0.2949 H 1 UNL1 0.1799 43 H 5.5170 -0.3086 2.6689 H 1 UNL1 0.1656 44 H 6.8480 -2.2395 1.7819 H 1 UNL1 0.1862 @BOND 1 9 32 2 2 8 31 2 3 7 28 1 4 18 32 1 5 18 31 1 6 32 14 1 7 32 19 1 8 31 17 1 9 31 20 1 10 10 22 2 11 39 4 1 12 38 3 1 13 35 22 ar 14 35 21 ar 15 28 6 1 16 28 21 1 17 17 26 1 18 22 34 ar 19 14 23 1 20 42 12 1 21 21 30 ar 22 4 19 1 23 4 40 1 24 4 1 1 25 5 13 1 26 3 13 1 27 3 12 1 28 3 1 1 29 20 33 1 30 12 41 1 31 12 2 1 32 1 36 1 33 1 27 1 34 34 2 1 35 34 29 ar 36 30 29 ar 37 30 44 1 38 2 27 1 39 2 37 1 40 33 11 2 41 33 16 1 42 33 15 1 43 29 43 1 44 25 16 1 45 24 15 1