@MOLECULE 5-[2-(3,4-difluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.5918 2.3118 -0.0180 O.2 1 UNL11111111 -0.2471 2 C 1.7597 2.0757 0.1161 C.2 1 UNL11111111 0.1111 3 OXT 2.6691 3.0674 0.2896 O.3 1 UNL11111111 -0.4406 4 CA 2.4395 0.7454 0.1133 C.2 1 UNL11111111 0.5647 5 N 3.8044 0.7574 -0.1384 N.am 1 UNL11111111 -0.7007 6 C 4.5638 -0.4282 -0.1882 C.2 1 UNL11111111 0.4666 7 O 5.7538 -0.3893 -0.4009 O.2 1 UNL11111111 -0.3250 8 N 3.8644 -1.6209 0.0158 N.am 1 UNL11111111 -0.5901 9 C 2.4768 -1.6947 0.2858 C.2 1 UNL11111111 0.4371 10 O 1.9984 -2.7901 0.4563 O.2 1 UNL11111111 -0.2516 11 C 1.7589 -0.4108 0.3253 C.2 1 UNL11111111 -0.3179 12 C 0.2972 -0.5005 0.5838 C.3 1 UNL11111111 -0.3334 13 C -0.4754 -0.5586 -0.7491 C.3 1 UNL11111111 -0.4196 14 C -1.9459 -0.5353 -0.4719 C.ar 1 UNL11111111 0.1203 15 C -2.5999 0.6943 -0.3463 C.ar 1 UNL11111111 -0.2694 16 C -3.9646 0.6977 -0.0834 C.ar 1 UNL11111111 -0.0332 17 F -4.6116 1.8432 0.0378 F 1 UNL11111111 -0.0224 18 C -4.6712 -0.5019 0.0578 C.ar 1 UNL11111111 -0.0243 19 F -5.9680 -0.4608 0.3070 F 1 UNL11111111 -0.0050 20 C -4.0207 -1.7259 -0.0612 C.ar 1 UNL11111111 -0.1932 21 C -2.6524 -1.7318 -0.3267 C.ar 1 UNL11111111 -0.2449 22 HXT 2.2707 3.9776 0.2991 H 1 UNL11111111 0.3667 23 H 4.4014 -2.4930 -0.0215 H 1 UNL11111111 0.3826 24 H 0.0583 -1.4063 1.1892 H 1 UNL11111111 0.2311 25 H -0.0662 0.3575 1.1910 H 1 UNL11111111 0.2171 26 H -0.1852 0.2983 -1.3932 H 1 UNL11111111 0.1750 27 H -0.1858 -1.4681 -1.3145 H 1 UNL11111111 0.2085 28 H -2.0445 1.6289 -0.4491 H 1 UNL11111111 0.2275 29 H -4.5682 -2.6620 0.0500 H 1 UNL11111111 0.2244 30 H -2.1276 -2.6834 -0.4190 H 1 UNL11111111 0.2342 31 H 4.2992 1.6464 -0.2438 H 1 UNL11111111 0.4514 @BOND 1 26 13 1 2 27 13 1 3 13 14 1 4 13 12 1 5 14 15 ar 6 14 21 ar 7 28 15 1 8 30 21 1 9 7 6 2 10 15 16 ar 11 21 20 ar 12 31 5 1 13 6 5 am 14 6 8 am 15 5 4 1 16 16 17 1 17 16 18 ar 18 20 29 1 19 20 18 ar 20 23 8 1 21 1 2 2 22 8 9 am 23 18 19 1 24 4 2 1 25 4 11 2 26 2 3 1 27 9 11 1 28 9 10 2 29 3 22 1 30 11 12 1 31 12 24 1 32 12 25 1