@MOLECULE 5-[2-(2-methoxyphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid 35 36 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.9954 -2.8793 -0.5213 O.3 1 UNL11111111 -0.5583 2 C -1.4453 -2.0320 0.3872 C.2 1 UNL11111111 0.6160 3 OXT -0.6345 -2.4040 1.1861 O.2 1 UNL11111111 -0.4275 4 CA -2.0463 -0.6740 0.2226 C.2 1 UNL11111111 0.1287 5 N -3.4035 -0.6615 -0.0767 N.am 1 UNL11111111 -0.5146 6 C -4.1138 0.5418 -0.2490 C.2 1 UNL11111111 0.6977 7 O -5.2905 0.5279 -0.5317 O.2 1 UNL11111111 -0.4861 8 N -3.3873 1.7219 -0.0709 N.am 1 UNL11111111 -0.6218 9 C -2.0039 1.7698 0.2349 C.2 1 UNL11111111 0.5945 10 O -1.5001 2.8600 0.3557 O.2 1 UNL11111111 -0.4541 11 C -1.3316 0.4682 0.3759 C.2 1 UNL11111111 -0.1616 12 C 0.1276 0.5299 0.6503 C.3 1 UNL11111111 -0.2556 13 C 0.9004 0.7411 -0.6684 C.3 1 UNL11111111 -0.2512 14 C 2.3646 0.8026 -0.3803 C.ar 1 UNL11111111 -0.0927 15 C 3.0154 2.0185 -0.2088 C.ar 1 UNL11111111 -0.1034 16 C 4.3811 2.0605 0.0827 C.ar 1 UNL11111111 -0.2160 17 C 5.1042 0.8794 0.2074 C.ar 1 UNL11111111 -0.0867 18 C 4.4773 -0.3564 0.0418 C.ar 1 UNL11111111 -0.2955 19 C 3.1167 -0.3827 -0.2528 C.ar 1 UNL11111111 0.2273 20 O 2.3776 -1.5081 -0.4537 O.3 1 UNL11111111 -0.3184 21 C 3.0221 -2.7544 -0.2327 C.3 1 UNL11111111 -0.2022 22 H -1.6276 -3.7993 -0.4810 H 1 UNL11111111 0.3671 23 H -3.8940 2.6051 -0.1779 H 1 UNL11111111 0.3477 24 H 0.3603 1.3646 1.3512 H 1 UNL11111111 0.1771 25 H 0.5031 -0.3834 1.1614 H 1 UNL11111111 0.1779 26 H 0.6745 -0.0799 -1.3802 H 1 UNL11111111 0.1553 27 H 0.5529 1.6722 -1.1637 H 1 UNL11111111 0.1589 28 H 2.4527 2.9490 -0.2977 H 1 UNL11111111 0.1600 29 H 4.8756 3.0195 0.2131 H 1 UNL11111111 0.1550 30 H 6.1684 0.9136 0.4365 H 1 UNL11111111 0.1471 31 H 5.0521 -1.2696 0.1438 H 1 UNL11111111 0.1606 32 H 3.3744 -2.8350 0.8008 H 1 UNL11111111 0.1371 33 H 2.2097 -3.4708 -0.4136 H 1 UNL11111111 0.1504 34 H 3.8358 -2.9061 -0.9481 H 1 UNL11111111 0.1334 35 H -3.8944 -1.5369 -0.2642 H 1 UNL11111111 0.3540 @BOND 1 26 13 1 2 27 13 1 3 34 21 1 4 13 14 1 5 13 12 1 6 7 6 2 7 1 22 1 8 1 2 1 9 20 19 1 10 20 21 1 11 33 21 1 12 14 19 ar 13 14 15 ar 14 28 15 1 15 35 5 1 16 19 18 ar 17 6 5 am 18 6 8 am 19 21 32 1 20 15 16 ar 21 23 8 1 22 5 4 1 23 8 9 am 24 18 31 1 25 18 17 ar 26 16 17 ar 27 16 29 1 28 17 30 1 29 4 11 2 30 4 2 1 31 9 10 2 32 9 11 1 33 11 12 1 34 2 3 2 35 12 25 1 36 12 24 1