@MOLECULE 4-amino-1-(2-deoxy-beta-d-threo-pentofuranosyl)-5-(trifluoromethyl)-2(1h)-pyrimidinone 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 1.6555 -2.2664 1.0415 F 1 UNL1 -0.2099 2 F 2.7979 -2.0716 -0.7146 F 1 UNL1 -0.2074 3 F 3.5323 -1.3381 1.1146 F 1 UNL1 -0.2120 4 O4* -2.1011 0.3370 -0.9412 O.3 1 UNL1 -0.4430 5 O3* -4.5111 -0.0184 1.3813 O.3 1 UNL1 -0.5433 6 O5* -2.8680 -2.2094 -2.1080 O.3 1 UNL1 -0.5211 7 O -0.0334 3.4745 -0.3775 O.2 1 UNL1 -0.4468 8 N -0.1992 1.2270 -0.0025 N.ar 1 UNL1 -0.4859 9 N 1.9332 2.2792 -0.4533 N.ar 1 UNL1 -0.6272 10 N 3.8692 1.0897 -0.5347 N.pl3 1 UNL1 -0.5549 11 C3* -3.1456 -0.2659 1.1342 C.3 1 UNL1 0.1163 12 C1* -1.6747 1.3159 -0.0154 C.3 1 UNL1 0.3084 13 C2* -2.3016 1.0013 1.3538 C.3 1 UNL1 -0.4066 14 C4* -3.0713 -0.5441 -0.3804 C.3 1 UNL1 0.0363 15 C5* -2.6314 -1.9651 -0.7412 C.3 1 UNL1 -0.0355 16 C 0.4057 0.0356 0.1745 C.ar 1 UNL1 0.2539 17 C 0.5905 2.4495 -0.3031 C.ar 1 UNL1 0.7164 18 C 1.7862 -0.0931 0.0993 C.ar 1 UNL1 -0.4932 19 C 2.5303 1.0832 -0.2893 C.ar 1 UNL1 0.5404 20 C 2.4219 -1.3988 0.3758 C.3 1 UNL1 0.5999 21 H3* -4.6868 0.0900 2.3369 H 1 UNL1 0.3219 22 H5* -2.4015 -1.5374 -2.6539 H 1 UNL1 0.3240 23 H 4.3133 1.9555 -0.8016 H 1 UNL1 0.3309 24 H 4.4411 0.2757 -0.4888 H 1 UNL1 0.3208 25 H3* -2.8195 -1.1196 1.7616 H 1 UNL1 0.1264 26 H1* -1.9774 2.3078 -0.4448 H 1 UNL1 0.1901 27 H2*1 -1.5491 0.8752 2.1487 H 1 UNL1 0.1699 28 H2*2 -2.9451 1.8422 1.6828 H 1 UNL1 0.1870 29 H4* -4.0348 -0.2849 -0.8859 H 1 UNL1 0.1837 30 H5*1 -1.5609 -2.1452 -0.5232 H 1 UNL1 0.1230 31 H5*2 -3.2504 -2.7310 -0.2329 H 1 UNL1 0.1552 32 H -0.2449 -0.8341 0.3812 H 1 UNL1 0.1823 @BOND 1 22 6 1 2 6 15 1 3 4 14 1 4 4 12 1 5 29 14 1 6 23 10 1 7 15 30 1 8 15 14 1 9 15 31 1 10 2 20 1 11 10 24 1 12 10 19 1 13 9 17 ar 14 9 19 ar 15 26 12 1 16 14 11 1 17 7 17 2 18 17 8 ar 19 19 18 ar 20 12 8 1 21 12 13 1 22 8 16 ar 23 18 16 ar 24 18 20 1 25 16 32 1 26 20 1 1 27 20 3 1 28 11 13 1 29 11 5 1 30 11 25 1 31 13 28 1 32 13 27 1 33 5 21 1