@MOLECULE 2,6-dioxo-5-{2-[2-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5692 2.8545 0.0878 O.3 1 UNL1111111 -0.5624 2 C 2.3997 2.1675 0.0490 C.2 1 UNL1111111 0.6240 3 OXT 1.3441 2.7356 0.0992 O.2 1 UNL1111111 -0.4515 4 CA 2.6586 0.7011 -0.0547 C.ar 1 UNL1111111 0.1189 5 N 3.9444 0.2863 0.2662 N.ar 1 UNL1111111 -0.5171 6 C 4.3258 -1.0694 0.2143 C.ar 1 UNL1111111 0.6967 7 O 5.4561 -1.3997 0.4915 O.2 1 UNL1111111 -0.4795 8 N 3.3360 -1.9769 -0.1673 N.ar 1 UNL1111111 -0.6194 9 C 2.0101 -1.6148 -0.5137 C.ar 1 UNL1111111 0.5833 10 O 1.2605 -2.4978 -0.8484 O.2 1 UNL1111111 -0.4296 11 C 1.6931 -0.1785 -0.4277 C.ar 1 UNL1111111 -0.1583 12 C 0.2892 0.1869 -0.7561 C.3 1 UNL1111111 -0.2438 13 C -0.5582 0.2461 0.5317 C.3 1 UNL1111111 -0.2816 14 C -1.9017 0.8350 0.2236 C.ar 1 UNL1111111 0.0814 15 C -1.9552 2.2293 0.0792 C.ar 1 UNL1111111 -0.1929 16 C -3.1499 2.8727 -0.2129 C.ar 1 UNL1111111 -0.1006 17 C -4.3202 2.1285 -0.3638 C.ar 1 UNL1111111 -0.1784 18 C -4.2829 0.7464 -0.2206 C.ar 1 UNL1111111 -0.0872 19 C -3.0785 0.0960 0.0695 C.ar 1 UNL1111111 -0.1684 20 C -3.0925 -1.3977 0.2244 C.3 1 UNL1111111 0.5538 21 F -2.8406 -1.8111 1.4686 F 1 UNL1111111 -0.2074 22 F -4.2510 -1.9919 -0.0693 F 1 UNL1111111 -0.2084 23 F -2.2159 -2.0466 -0.5406 F 1 UNL1111111 -0.1927 24 H 3.4528 3.8382 0.1586 H 1 UNL1111111 0.3743 25 H 3.5965 -2.9674 -0.2079 H 1 UNL1111111 0.3506 26 H 0.2341 1.1592 -1.2919 H 1 UNL1111111 0.1664 27 H -0.1548 -0.5539 -1.4624 H 1 UNL1111111 0.1850 28 H -0.6040 -0.7561 0.9968 H 1 UNL1111111 0.1706 29 H -0.0432 0.8762 1.2914 H 1 UNL1111111 0.1629 30 H -1.0403 2.8149 0.1983 H 1 UNL1111111 0.1755 31 H -3.1738 3.9565 -0.3223 H 1 UNL1111111 0.1516 32 H -5.2598 2.6287 -0.5908 H 1 UNL1111111 0.1583 33 H -5.2147 0.1888 -0.3375 H 1 UNL1111111 0.1679 34 H 4.6620 0.9743 0.5036 H 1 UNL1111111 0.3577 @BOND 1 1 24 1 2 2 1 1 3 3 2 2 4 4 2 1 5 4 5 ar 6 5 6 ar 7 5 34 1 8 6 7 2 9 8 6 ar 10 8 25 1 11 9 8 ar 12 10 9 2 13 11 9 ar 14 11 4 ar 15 12 11 1 16 12 26 1 17 12 27 1 18 13 12 1 19 13 28 1 20 13 29 1 21 14 13 1 22 15 14 ar 23 15 30 1 24 16 15 ar 25 16 31 1 26 17 16 ar 27 17 18 ar 28 17 32 1 29 18 19 ar 30 18 33 1 31 19 14 ar 32 19 20 1 33 20 22 1 34 21 20 1 35 23 20 1