@MOLECULE 5-ethyl-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2,4(1h,3h)-pyrimidinedione 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.6634 -0.9857 -1.7531 O.3 1 UNL1 -0.5667 2 O 4.3296 0.2599 1.9324 O.3 1 UNL1 -0.5660 3 O -0.8202 2.9048 0.0193 O.2 1 UNL1 -0.5104 4 O -4.5402 0.3280 -0.0309 O.2 1 UNL1 -0.4755 5 N -0.5182 0.6385 -0.1612 N.ar 1 UNL1 -0.4620 6 N -2.6942 1.6040 0.0043 N.ar 1 UNL1 -0.6262 7 C 0.9514 0.7999 -0.2072 C.3 1 UNL1 0.1077 8 C 2.8076 -0.7083 0.4435 C.3 1 UNL1 -0.1452 9 C 1.6305 0.1071 0.9985 C.3 1 UNL1 -0.3177 10 C 2.4480 -0.9833 -1.0345 C.3 1 UNL1 0.1510 11 C 1.5413 0.1724 -1.4910 C.3 1 UNL1 -0.3808 12 C 4.1237 0.0763 0.5374 C.3 1 UNL1 0.0108 13 C -1.0872 -0.6234 -0.2004 C.ar 1 UNL1 0.1143 14 C -1.3130 1.7980 -0.0384 C.ar 1 UNL1 0.7003 15 C -2.4311 -0.8071 -0.1527 C.ar 1 UNL1 -0.2616 16 C -3.3319 0.3339 -0.0575 C.ar 1 UNL1 0.6050 17 C -3.0462 -2.1657 -0.1678 C.3 1 UNL1 -0.2217 18 C -2.9366 -2.8230 1.2111 C.3 1 UNL1 -0.4306 19 H 1.1763 1.9031 -0.1859 H 1 UNL1 0.1833 20 H 2.9280 -1.6590 1.0091 H 1 UNL1 0.1576 21 H 0.9294 -0.5351 1.5573 H 1 UNL1 0.1532 22 H 1.9802 0.8516 1.7417 H 1 UNL1 0.1822 23 H 1.9678 -1.9747 -1.1637 H 1 UNL1 0.1126 24 H 0.7627 -0.1551 -2.1962 H 1 UNL1 0.1580 25 H 2.1389 0.9257 -2.0402 H 1 UNL1 0.1721 26 H 4.0570 1.0646 0.0518 H 1 UNL1 0.1224 27 H 4.9704 -0.4940 0.1144 H 1 UNL1 0.1305 28 H 3.5121 -1.1611 -2.7005 H 1 UNL1 0.3209 29 H -0.3868 -1.4663 -0.2721 H 1 UNL1 0.1748 30 H 5.2016 0.6636 2.0955 H 1 UNL1 0.3146 31 H -3.2812 2.4391 0.0859 H 1 UNL1 0.3474 32 H -4.1196 -2.0999 -0.4628 H 1 UNL1 0.1699 33 H -2.5729 -2.8072 -0.9379 H 1 UNL1 0.1389 34 H -3.4388 -2.2164 1.9763 H 1 UNL1 0.1555 35 H -3.4096 -3.8111 1.2174 H 1 UNL1 0.1432 36 H -1.8944 -2.9481 1.5203 H 1 UNL1 0.1382 @BOND 1 28 1 1 2 24 11 1 3 25 11 1 4 1 10 1 5 11 10 1 6 11 7 1 7 23 10 1 8 10 8 1 9 33 17 1 10 32 17 1 11 29 13 1 12 7 19 1 13 7 5 1 14 7 9 1 15 13 5 ar 16 13 15 ar 17 17 15 1 18 17 18 1 19 5 14 ar 20 15 16 ar 21 16 4 2 22 16 6 ar 23 14 6 ar 24 14 3 2 25 6 31 1 26 26 12 1 27 27 12 1 28 8 12 1 29 8 9 1 30 8 20 1 31 12 2 1 32 9 21 1 33 9 22 1 34 18 35 1 35 18 36 1 36 18 34 1 37 2 30 1