@MOLECULE 2'-deoxy-5-(trifluoromethyl)uridine 5'-(tetrahydrogen triphosphate) 46 47 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.3802 -0.0093 1.6027 P.3 1 UNL1 0.4031 2 P -3.3448 -0.7185 -1.3464 P.3 1 UNL1 0.4134 3 P -0.4132 -1.6907 -1.2216 P.3 1 UNL1 0.4195 4 F 1.9582 -1.9207 1.8822 F 1 UNL1 -0.2277 5 F 2.9041 -2.8302 0.2330 F 1 UNL1 -0.1888 6 F 4.0505 -2.1400 1.8634 F 1 UNL1 -0.1992 7 O 0.7998 2.6659 1.2501 O.3 1 UNL1 -0.4452 8 O -1.6675 3.8160 -0.7176 O.3 1 UNL1 -0.5711 9 O -2.4816 1.3003 1.4709 O.3 1 UNL1 -0.2993 10 O 3.8042 3.1067 -1.3012 O.2 1 UNL1 -0.5008 11 O -3.7817 -0.4902 0.1406 O.3 1 UNL1 -0.1088 12 O -2.5492 -1.1549 2.3015 O.3 1 UNL1 -0.3506 13 O 5.3100 -1.0876 -0.4374 O.2 1 UNL1 -0.4464 14 O -4.6526 0.2710 2.2344 O.2 1 UNL1 -0.1531 15 O -1.9536 -1.4506 -1.3391 O.3 1 UNL1 -0.3417 16 O -3.0525 0.7515 -1.8725 O.3 1 UNL1 -0.3508 17 O -4.3102 -1.5355 -2.0483 O.2 1 UNL1 -0.2061 18 O -0.3356 -3.1483 -1.8507 O.3 1 UNL1 -0.3414 19 O -0.1777 -1.9556 0.3347 O.3 1 UNL1 -0.3781 20 O 0.4901 -0.6842 -1.7291 O.2 1 UNL1 -0.2370 21 N 2.4442 1.7213 -0.0852 N.ar 1 UNL1 -0.4833 22 N 4.5826 0.9981 -0.8762 N.ar 1 UNL1 -0.6158 23 C -0.9236 2.6491 -0.4322 C.3 1 UNL1 0.1363 24 C -0.6194 2.6156 1.0792 C.3 1 UNL1 0.0353 25 C 0.4389 2.8087 -1.1181 C.3 1 UNL1 -0.3819 26 C 1.4630 2.8418 0.0198 C.3 1 UNL1 0.3236 27 C -1.0828 1.3326 1.7926 C.3 1 UNL1 -0.0429 28 C 2.2218 0.4991 0.4913 C.ar 1 UNL1 0.2858 29 C 3.6435 2.0154 -0.7995 C.ar 1 UNL1 0.6998 30 C 3.1723 -0.4817 0.4340 C.ar 1 UNL1 -0.4608 31 C 4.4169 -0.2900 -0.2906 C.ar 1 UNL1 0.6330 32 C 3.0223 -1.8100 1.0793 C.3 1 UNL1 0.6122 33 H -1.4797 1.7609 -0.8001 H 1 UNL1 0.1801 34 H -0.9961 3.5304 1.5862 H 1 UNL1 0.1582 35 H 0.4664 3.7441 -1.7150 H 1 UNL1 0.1870 36 H 0.6235 1.9898 -1.8377 H 1 UNL1 0.1895 37 H 2.0352 3.8032 0.1158 H 1 UNL1 0.1742 38 H -0.9648 1.4322 2.8931 H 1 UNL1 0.1368 39 H -0.4935 0.4588 1.4510 H 1 UNL1 0.1403 40 H -2.6226 3.6344 -0.5785 H 1 UNL1 0.3342 41 H 1.2523 0.3730 1.0134 H 1 UNL1 0.2056 42 H 5.4473 1.1905 -1.3892 H 1 UNL1 0.3493 43 H -1.8005 -1.4821 1.6758 H 1 UNL1 0.3369 44 H -2.8764 0.7147 -2.8820 H 1 UNL1 0.3140 45 H -1.2199 -3.3504 -2.3450 H 1 UNL1 0.3357 46 H -0.2914 -2.9550 0.5324 H 1 UNL1 0.3270 @BOND 1 44 16 1 2 45 18 1 3 17 2 2 4 16 2 1 5 18 3 1 6 36 25 1 7 20 3 2 8 35 25 1 9 42 22 1 10 2 15 1 11 2 11 1 12 15 3 1 13 10 29 2 14 3 19 1 15 25 23 1 16 25 26 1 17 22 29 ar 18 22 31 ar 19 33 23 1 20 29 21 ar 21 8 40 1 22 8 23 1 23 13 31 2 24 23 24 1 25 31 30 ar 26 21 26 1 27 21 28 ar 28 26 37 1 29 26 7 1 30 11 1 1 31 5 32 1 32 19 46 1 33 30 28 ar 34 30 32 1 35 28 41 1 36 24 7 1 37 24 34 1 38 24 27 1 39 32 6 1 40 32 4 1 41 39 27 1 42 9 1 1 43 9 27 1 44 1 14 2 45 1 12 1 46 43 12 1 47 27 38 1