@MOLECULE ent-emtricitabine 25 26 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.3825 -0.6064 0.5259 S.3 1 UNL1 -0.0203 2 F 2.5114 2.3366 -0.0453 F 1 UNL1 -0.0974 3 O -1.5679 0.0131 -1.3076 O.3 1 UNL1 -0.4138 4 O -1.6884 1.9793 0.9199 O.3 1 UNL1 -0.5359 5 O 1.0028 -2.7758 -0.0634 O.2 1 UNL1 -0.5140 6 O 4.3435 0.2855 0.3331 O.2 1 UNL1 -0.4273 7 N 0.4399 -0.5766 -0.2858 N.ar 1 UNL1 -0.4927 8 N 2.6989 -1.2510 0.1421 N.ar 1 UNL1 -0.6156 9 C -0.9572 -1.0048 -0.5452 C.3 1 UNL1 0.3369 10 C -1.7002 -1.2750 0.7673 C.3 1 UNL1 -0.3968 11 C -2.7502 0.5624 -0.7654 C.3 1 UNL1 0.0249 12 C -2.4926 1.9741 -0.2333 C.3 1 UNL1 -0.0467 13 C 1.3728 -1.6202 -0.0705 C.ar 1 UNL1 0.6985 14 C 0.8129 0.7551 -0.2750 C.ar 1 UNL1 0.1193 15 C 2.1161 1.0763 -0.0652 C.ar 1 UNL1 -0.1321 16 C 3.1695 0.0935 0.1536 C.ar 1 UNL1 0.5897 17 H -0.9267 -1.8914 -1.2430 H 1 UNL1 0.1816 18 H -1.7347 -2.3565 0.9989 H 1 UNL1 0.1963 19 H -1.2050 -0.7865 1.6299 H 1 UNL1 0.1890 20 H -3.4443 0.5842 -1.6390 H 1 UNL1 0.1656 21 H -3.4362 2.5155 -0.0459 H 1 UNL1 0.1329 22 H -1.8822 2.5600 -0.9576 H 1 UNL1 0.1646 23 H 0.0219 1.5040 -0.4421 H 1 UNL1 0.2171 24 H 3.3756 -2.0056 0.2953 H 1 UNL1 0.3504 25 H -2.2014 1.7336 1.7182 H 1 UNL1 0.3257 @BOND 1 20 11 1 2 3 11 1 3 3 9 1 4 17 9 1 5 22 12 1 6 11 12 1 7 11 1 1 8 9 7 1 9 9 10 1 10 23 14 1 11 7 14 ar 12 7 13 ar 13 14 15 ar 14 12 21 1 15 12 4 1 16 13 5 2 17 13 8 ar 18 15 2 1 19 15 16 ar 20 8 16 ar 21 8 24 1 22 16 6 2 23 1 10 1 24 10 18 1 25 10 19 1 26 4 25 1