@MOLECULE 4-amino-5-[(e)-2-bromovinyl]-1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2(1h)-pyrimidinone 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -4.0733 0.9517 -0.0922 Br 1 UNL1 -0.0592 2 O 3.6085 2.1815 -2.0191 O.3 1 UNL1 -0.5617 3 O 1.5698 3.6951 1.5550 O.3 1 UNL1 -0.5416 4 O 2.9949 -3.0543 0.6162 O.2 1 UNL1 -0.4654 5 N 1.6890 -1.1937 0.3943 N.ar 1 UNL1 -0.4627 6 N 0.7757 -3.4234 0.1488 N.ar 1 UNL1 -0.6257 7 N -1.4386 -3.7628 -0.3211 N.pl3 1 UNL1 -0.5784 8 C 2.7578 2.1059 0.1785 C.3 1 UNL1 -0.1894 9 C 2.9031 -0.3552 0.5032 C.3 1 UNL1 0.0905 10 C 2.6588 0.9876 1.2327 C.3 1 UNL1 -0.3112 11 C 2.7843 1.3926 -1.1912 C.3 1 UNL1 0.1545 12 C 3.4031 0.0152 -0.9108 C.3 1 UNL1 -0.3749 13 C 1.6120 3.1146 0.2686 C.3 1 UNL1 -0.0099 14 C 0.4775 -0.6528 0.1159 C.ar 1 UNL1 0.1755 15 C 1.8791 -2.6560 0.3945 C.ar 1 UNL1 0.7070 16 C -0.6321 -1.4449 -0.1235 C.ar 1 UNL1 -0.3609 17 C -0.4265 -2.8743 -0.0915 C.ar 1 UNL1 0.5061 18 C -1.9285 -0.8580 -0.4045 C.2 1 UNL1 -0.0926 19 C -2.3863 0.1863 0.2893 C.2 1 UNL1 -0.1849 20 H 3.7263 2.6524 0.3009 H 1 UNL1 0.1672 21 H 3.6745 -0.9628 1.0531 H 1 UNL1 0.1844 22 H 3.4152 1.1317 2.0257 H 1 UNL1 0.1593 23 H 1.6970 1.0139 1.7746 H 1 UNL1 0.1678 24 H 1.7835 1.3201 -1.6641 H 1 UNL1 0.1144 25 H 4.5083 0.0810 -0.9235 H 1 UNL1 0.1757 26 H 3.1408 -0.7427 -1.6634 H 1 UNL1 0.1620 27 H 0.6123 2.6523 0.1791 H 1 UNL1 0.1349 28 H 1.7127 3.9099 -0.4936 H 1 UNL1 0.1285 29 H 3.7374 1.7578 -2.8902 H 1 UNL1 0.3220 30 H 0.3929 0.4454 0.0788 H 1 UNL1 0.1765 31 H 2.3979 4.1792 1.7439 H 1 UNL1 0.3132 32 H -2.4928 -1.3180 -1.2216 H 1 UNL1 0.1619 33 H -2.3819 -3.4652 -0.4328 H 1 UNL1 0.3123 34 H -1.2506 -4.7497 -0.2798 H 1 UNL1 0.3285 35 H -1.8867 0.6813 1.1097 H 1 UNL1 0.1762 @BOND 1 29 2 1 2 2 11 1 3 24 11 1 4 26 12 1 5 32 18 1 6 11 12 1 7 11 8 1 8 25 12 1 9 12 9 1 10 28 13 1 11 33 7 1 12 18 16 1 13 18 19 2 14 7 34 1 15 7 17 1 16 16 17 ar 17 16 14 ar 18 1 19 1 19 17 6 ar 20 30 14 1 21 14 5 ar 22 6 15 ar 23 8 13 1 24 8 20 1 25 8 10 1 26 27 13 1 27 13 3 1 28 19 35 1 29 5 15 ar 30 5 9 1 31 15 4 2 32 9 21 1 33 9 10 1 34 10 23 1 35 10 22 1 36 3 31 1