@MOLECULE 1-(3-cyclopenten-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-2,4(1h,3h)-pyrimidinedione 50 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9799 0.4628 2.0973 O.2 1 UNL1 -0.5108 2 O 0.3282 -0.4821 -2.0961 O.2 1 UNL1 -0.3879 3 O -1.6250 4.2250 -0.0194 O.2 1 UNL1 -0.4750 4 N -1.2271 0.2595 0.6308 N.ar 1 UNL1 -0.4291 5 N -2.3016 2.3568 1.0236 N.ar 1 UNL1 -0.6247 6 C -1.9368 -1.9504 -0.2915 C.3 1 UNL1 -0.1234 7 C -1.1959 -1.2027 0.8299 C.3 1 UNL1 -0.0882 8 C -3.4798 -1.8916 -0.1226 C.3 1 UNL1 -0.2918 9 C -1.5674 -3.4615 -0.2645 C.3 1 UNL1 -0.2811 10 C -3.9161 -3.3266 -0.0590 C.2 1 UNL1 -0.1441 11 C -2.8837 -4.1748 -0.1338 C.2 1 UNL1 -0.1731 12 C -0.4128 0.8650 -0.3095 C.ar 1 UNL1 0.1314 13 C -0.4751 2.1954 -0.5756 C.ar 1 UNL1 -0.2396 14 C -2.2335 0.9903 1.3000 C.ar 1 UNL1 0.7012 15 C 0.5978 -0.0078 -1.0222 C.2 1 UNL1 0.4513 16 C 0.4038 2.8711 -1.5738 C.3 1 UNL1 -0.2242 17 C -1.4572 3.0345 0.1029 C.ar 1 UNL1 0.6051 18 C 1.8865 -0.2324 -0.3386 C.ar 1 UNL1 -0.1392 19 C -0.1521 2.6889 -2.9888 C.3 1 UNL1 -0.4325 20 C 2.2703 0.5448 0.7538 C.ar 1 UNL1 -0.1573 21 C 2.7173 -1.2465 -0.8156 C.ar 1 UNL1 -0.1390 22 C 3.4953 0.3025 1.3782 C.ar 1 UNL1 0.0479 23 C 3.9402 -1.4935 -0.1893 C.ar 1 UNL1 0.0396 24 C 4.3247 -0.7168 0.9058 C.ar 1 UNL1 -0.1840 25 C 3.9046 1.1392 2.5406 C.3 1 UNL1 -0.4575 26 C 4.8372 -2.5682 -0.6988 C.3 1 UNL1 -0.4587 27 H -1.6608 -1.5206 -1.2807 H 1 UNL1 0.1573 28 H -0.1321 -1.5294 0.8932 H 1 UNL1 0.1499 29 H -1.6548 -1.4424 1.8227 H 1 UNL1 0.1852 30 H -3.9553 -1.3584 -0.9635 H 1 UNL1 0.1497 31 H -3.7791 -1.3437 0.7924 H 1 UNL1 0.1728 32 H -0.8921 -3.7172 0.5688 H 1 UNL1 0.1435 33 H -1.0400 -3.7551 -1.1893 H 1 UNL1 0.1495 34 H -4.9585 -3.5678 0.0414 H 1 UNL1 0.1463 35 H -2.9127 -5.2477 -0.1101 H 1 UNL1 0.1435 36 H 1.4427 2.4854 -1.5182 H 1 UNL1 0.1425 37 H 0.4836 3.9588 -1.3444 H 1 UNL1 0.1682 38 H -3.0169 2.8980 1.5167 H 1 UNL1 0.3456 39 H -0.2206 1.6279 -3.2624 H 1 UNL1 0.1571 40 H 0.4828 3.1832 -3.7311 H 1 UNL1 0.1420 41 H -1.1584 3.1166 -3.0767 H 1 UNL1 0.1527 42 H 1.6259 1.3437 1.1231 H 1 UNL1 0.1707 43 H 2.4093 -1.8382 -1.6802 H 1 UNL1 0.1750 44 H 5.2797 -0.9064 1.3928 H 1 UNL1 0.1572 45 H 4.0796 2.1835 2.2368 H 1 UNL1 0.1676 46 H 3.1283 1.1568 3.3212 H 1 UNL1 0.1668 47 H 4.8280 0.7868 3.0186 H 1 UNL1 0.1545 48 H 5.5323 -2.1711 -1.4560 H 1 UNL1 0.1666 49 H 4.2810 -3.3894 -1.1733 H 1 UNL1 0.1622 50 H 5.4501 -3.0162 0.0957 H 1 UNL1 0.1584 @BOND 1 40 19 1 2 39 19 1 3 41 19 1 4 19 16 1 5 2 15 2 6 43 21 1 7 16 36 1 8 16 37 1 9 16 13 1 10 48 26 1 11 27 6 1 12 33 9 1 13 49 26 1 14 15 18 1 15 15 12 1 16 30 8 1 17 21 18 ar 18 21 23 ar 19 26 23 1 20 26 50 1 21 13 12 ar 22 13 17 ar 23 18 20 ar 24 12 4 ar 25 6 9 1 26 6 8 1 27 6 7 1 28 9 11 1 29 9 32 1 30 23 24 ar 31 11 35 1 32 11 10 2 33 8 10 1 34 8 31 1 35 10 34 1 36 3 17 2 37 17 5 ar 38 4 7 1 39 4 14 ar 40 20 42 1 41 20 22 ar 42 7 28 1 43 7 29 1 44 24 22 ar 45 24 44 1 46 5 14 ar 47 5 38 1 48 14 1 2 49 22 25 1 50 45 25 1 51 25 47 1 52 25 46 1