@MOLECULE 4-amino-1-(2-deoxy-beta-l-erythro-pentofuranosyl)-5-(trifluoromethyl)-2(1h)-pyrimidinone 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F -2.2631 -2.1210 0.5776 F 1 UNL1 -0.1980 2 F -3.8022 -0.7204 0.8595 F 1 UNL1 -0.2124 3 F -3.2003 -1.2512 -1.0860 F 1 UNL1 -0.2225 4 O4* 2.0789 -0.6759 1.0870 O.3 1 UNL1 -0.3945 5 O3* 4.9185 -0.2539 -0.2438 O.3 1 UNL1 -0.5361 6 O5* 0.9598 -2.8004 -0.1923 O.3 1 UNL1 -0.5320 7 O 0.9829 3.1307 0.1631 O.2 1 UNL1 -0.4704 8 N 0.4911 0.9268 0.4610 N.ar 1 UNL1 -0.5059 9 N -1.1836 2.4942 -0.3020 N.ar 1 UNL1 -0.6356 10 N -3.3155 1.8427 -0.7588 N.pl3 1 UNL1 -0.5571 11 C3* 3.5895 -0.2000 -0.6790 C.3 1 UNL1 0.1189 12 C1* 1.9118 0.7000 0.8518 C.3 1 UNL1 0.2973 13 C2* 2.8954 1.1064 -0.2578 C.3 1 UNL1 -0.3932 14 C4* 2.7489 -1.3073 -0.0017 C.3 1 UNL1 0.0336 15 C5* 1.7435 -1.9242 -0.9814 C.3 1 UNL1 -0.0554 16 C -0.4149 -0.0695 0.5053 C.ar 1 UNL1 0.2538 17 C 0.1049 2.3088 0.0893 C.ar 1 UNL1 0.7142 18 C -1.7316 0.1533 0.1127 C.ar 1 UNL1 -0.5090 19 C -2.0806 1.4855 -0.3110 C.ar 1 UNL1 0.5418 20 C -2.7117 -0.9516 0.1230 C.3 1 UNL1 0.6030 21 H3* 3.6945 -0.3140 -1.7777 H 1 UNL1 0.1569 22 H1* 2.0854 1.1950 1.8395 H 1 UNL1 0.1675 23 H2*1 3.6232 1.8591 0.1008 H 1 UNL1 0.1901 24 H2*2 2.3983 1.6009 -1.1131 H 1 UNL1 0.1888 25 H4* 3.3570 -2.0906 0.5023 H 1 UNL1 0.1756 26 H5*1 2.2625 -2.4889 -1.7768 H 1 UNL1 0.1280 27 H5*2 1.0775 -1.1688 -1.4369 H 1 UNL1 0.1290 28 H -0.0690 -1.0711 0.8569 H 1 UNL1 0.2303 29 H3* 4.9870 -0.1385 0.7281 H 1 UNL1 0.3236 30 H5* 0.4275 -3.3937 -0.7623 H 1 UNL1 0.3203 31 H -4.0867 1.2146 -0.7966 H 1 UNL1 0.3205 32 H -3.4824 2.7997 -1.0275 H 1 UNL1 0.3288 @BOND 1 21 11 1 2 26 15 1 3 27 15 1 4 24 13 1 5 3 20 1 6 32 10 1 7 15 6 1 8 15 14 1 9 31 10 1 10 30 6 1 11 10 19 1 12 11 13 1 13 11 5 1 14 11 14 1 15 19 9 ar 16 19 18 ar 17 9 17 ar 18 13 23 1 19 13 12 1 20 5 29 1 21 14 25 1 22 14 4 1 23 17 7 2 24 17 8 ar 25 18 20 1 26 18 16 ar 27 20 1 1 28 20 2 1 29 8 16 ar 30 8 12 1 31 16 28 1 32 12 4 1 33 12 22 1