@MOLECULE 1-(beta-d-glucopyranosyl)-5-(trifluoromethyl)-2,4(1h,3h)-pyrimidinedione 36 37 0 0 0 SMALL USER_CHARGES @ATOM 1 F 4.2846 0.7727 -1.5987 F 1 UNL11111111 -0.2007 2 N 0.2913 -0.0650 0.1313 N.am 1 UNL11111111 -0.4435 3 C 0.3191 0.4129 1.4804 C.2 1 UNL11111111 0.7109 4 F 3.8608 -1.2882 -1.6356 F 1 UNL11111111 -0.2165 5 O -0.6899 0.5115 2.1359 O.2 1 UNL11111111 -0.4696 6 F 4.9818 -0.4786 -0.0427 F 1 UNL11111111 -0.1669 7 N 1.5766 0.7302 1.9826 N.am 1 UNL11111111 -0.6239 8 C 2.8035 0.5618 1.2750 C.2 1 UNL11111111 0.6276 9 O 3.8174 0.8846 1.8373 O.2 1 UNL11111111 -0.4236 10 C 2.6623 0.0077 -0.0618 C.2 1 UNL11111111 -0.4416 11 C 1.4362 -0.2590 -0.5984 C.2 1 UNL11111111 0.2456 12 C 3.9231 -0.2395 -0.8091 C.3 1 UNL11111111 0.5926 13 C -1.0200 -0.3215 -0.4896 C.3 1 UNL11111111 0.2821 14 C -1.7459 -1.4972 0.2141 C.3 1 UNL11111111 0.0567 15 O -1.1134 -2.6295 -0.3406 O.3 1 UNL11111111 -0.5584 16 C -3.2365 -1.5087 -0.1626 C.3 1 UNL11111111 0.0511 17 O -3.8114 -2.4221 0.7493 O.3 1 UNL11111111 -0.5499 18 C -3.8525 -0.1125 0.0479 C.3 1 UNL11111111 0.0459 19 O -5.1349 -0.1359 -0.5437 O.3 1 UNL11111111 -0.5494 20 C -3.0415 0.9251 -0.7519 C.3 1 UNL11111111 0.0393 21 O -1.6921 0.9033 -0.3042 O.3 1 UNL11111111 -0.4296 22 C -3.4721 2.3689 -0.4398 C.3 1 UNL11111111 -0.0144 23 O -2.6838 3.2654 -1.1894 O.3 1 UNL11111111 -0.5255 24 H 1.6213 1.0932 2.9413 H 1 UNL11111111 0.3515 25 H 1.3090 -0.6515 -1.6242 H 1 UNL11111111 0.1918 26 H -0.8990 -0.5258 -1.5864 H 1 UNL11111111 0.1546 27 H -1.6145 -1.4958 1.3219 H 1 UNL11111111 0.1800 28 H -1.4797 -3.4484 0.0647 H 1 UNL11111111 0.3466 29 H -3.4025 -1.8771 -1.2000 H 1 UNL11111111 0.1519 30 H -4.7340 -2.6294 0.4847 H 1 UNL11111111 0.3284 31 H -3.9084 0.1422 1.1278 H 1 UNL11111111 0.1563 32 H -5.8355 -0.1342 0.1384 H 1 UNL11111111 0.3273 33 H -3.0768 0.7244 -1.8451 H 1 UNL11111111 0.1531 34 H -4.5064 2.5599 -0.7855 H 1 UNL11111111 0.1595 35 H -3.3724 2.6068 0.6352 H 1 UNL11111111 0.1366 36 H -1.7356 3.1134 -0.9764 H 1 UNL11111111 0.3239 @BOND 1 33 20 1 2 4 12 1 3 25 11 1 4 1 12 1 5 26 13 1 6 29 16 1 7 23 36 1 8 23 22 1 9 12 10 1 10 12 6 1 11 34 22 1 12 20 22 1 13 20 21 1 14 20 18 1 15 11 10 2 16 11 2 1 17 19 18 1 18 19 32 1 19 13 21 1 20 13 2 1 21 13 14 1 22 22 35 1 23 15 28 1 24 15 14 1 25 16 18 1 26 16 14 1 27 16 17 1 28 10 8 1 29 18 31 1 30 2 3 am 31 14 27 1 32 30 17 1 33 8 9 2 34 8 7 am 35 3 7 am 36 3 5 2 37 7 24 1