@MOLECULE n'-{1-[5-(hydroxymethyl)tetrahydro-2-furanyl]-2-oxo-1,2-dihydro-4-pyrimidinyl}-n,n-diisopropylimidoformamide 49 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.1099 0.3161 0.5854 O.3 1 UNL1 -0.4569 2 O 6.6038 1.6932 0.5357 O.3 1 UNL1 -0.5386 3 O 1.2419 -2.5424 0.5236 O.2 1 UNL1 -0.5148 4 N 1.8836 -0.3698 0.3940 N.ar 1 UNL1 -0.5195 5 N -4.3564 0.1842 -0.0143 N.pl3 1 UNL1 -0.4301 6 N -0.4487 -0.9893 0.3005 N.ar 1 UNL1 -0.6558 7 N -2.0824 0.7110 0.0761 N.2 1 UNL1 -0.6117 8 C 3.2923 -0.8256 0.4924 C.3 1 UNL1 0.3272 9 C 3.7280 -1.6075 -0.7606 C.3 1 UNL1 -0.3196 10 C 4.4745 -0.5742 -1.6134 C.3 1 UNL1 -0.3154 11 C 4.8325 0.5480 -0.6310 C.3 1 UNL1 0.0797 12 C 6.3147 0.5455 -0.2321 C.3 1 UNL1 -0.0384 13 C 1.5547 0.9538 0.3059 C.ar 1 UNL1 0.1709 14 C -5.3943 -0.8729 -0.0763 C.3 1 UNL1 0.1229 15 C -4.8047 1.5860 -0.1922 C.3 1 UNL1 0.1519 16 C 0.8535 -1.4010 0.4150 C.ar 1 UNL1 0.7148 17 C 0.2409 1.3365 0.2065 C.ar 1 UNL1 -0.4234 18 C -0.7642 0.3133 0.1989 C.ar 1 UNL1 0.5185 19 C -5.2352 -1.7045 -1.3572 C.3 1 UNL1 -0.4851 20 C -5.3321 -1.7658 1.1709 C.3 1 UNL1 -0.4822 21 C -4.3880 2.4408 1.0111 C.3 1 UNL1 -0.4807 22 C -4.2568 2.1692 -1.5014 C.3 1 UNL1 -0.4849 23 C -3.0578 -0.1954 0.0848 C.2 1 UNL1 0.3497 24 H 3.4235 -1.3731 1.4585 H 1 UNL1 0.1633 25 H 4.3749 -2.4565 -0.4780 H 1 UNL1 0.1609 26 H 2.8707 -2.0599 -1.2928 H 1 UNL1 0.1818 27 H 3.8356 -0.1985 -2.4330 H 1 UNL1 0.1553 28 H 5.3613 -1.0108 -2.1002 H 1 UNL1 0.1521 29 H 4.5095 1.5545 -0.9695 H 1 UNL1 0.1447 30 H 6.9809 0.6464 -1.1080 H 1 UNL1 0.1434 31 H 6.5835 -0.3574 0.3443 H 1 UNL1 0.1320 32 H 2.3702 1.6911 0.3244 H 1 UNL1 0.1788 33 H -6.3966 -0.3632 -0.0984 H 1 UNL1 0.1384 34 H -5.9284 1.5723 -0.2481 H 1 UNL1 0.1211 35 H -0.0599 2.3750 0.1383 H 1 UNL1 0.1969 36 H 6.0226 1.7160 1.3275 H 1 UNL1 0.3244 37 H -6.0609 -2.4163 -1.4667 H 1 UNL1 0.1569 38 H -5.2249 -1.0668 -2.2495 H 1 UNL1 0.1575 39 H -4.3031 -2.2838 -1.3643 H 1 UNL1 0.1662 40 H -6.2123 -2.4161 1.2283 H 1 UNL1 0.1566 41 H -5.3027 -1.1674 2.0906 H 1 UNL1 0.1622 42 H -4.4491 -2.4174 1.1796 H 1 UNL1 0.1664 43 H -4.7894 3.4547 0.9294 H 1 UNL1 0.1477 44 H -4.7307 2.0081 1.9556 H 1 UNL1 0.1487 45 H -3.2893 2.5265 1.0752 H 1 UNL1 0.1940 46 H -3.1556 2.2370 -1.4727 H 1 UNL1 0.1924 47 H -4.5203 1.5517 -2.3647 H 1 UNL1 0.1455 48 H -4.6389 3.1798 -1.6708 H 1 UNL1 0.1492 49 H -2.8715 -1.2908 0.1847 H 1 UNL1 0.1853 @BOND 1 27 10 1 2 47 22 1 3 38 19 1 4 28 10 1 5 48 22 1 6 10 9 1 7 10 11 1 8 22 46 1 9 22 15 1 10 37 19 1 11 39 19 1 12 19 14 1 13 26 9 1 14 30 12 1 15 29 11 1 16 9 25 1 17 9 8 1 18 11 12 1 19 11 1 1 20 34 15 1 21 12 31 1 22 12 2 1 23 15 5 1 24 15 21 1 25 33 14 1 26 14 5 1 27 14 20 1 28 5 23 1 29 7 23 2 30 7 18 1 31 23 49 1 32 35 17 1 33 18 17 ar 34 18 6 ar 35 17 13 ar 36 6 16 ar 37 13 32 1 38 13 4 ar 39 4 16 ar 40 4 8 1 41 16 3 2 42 8 1 1 43 8 24 1 44 2 36 1 45 43 21 1 46 21 45 1 47 21 44 1 48 20 42 1 49 20 40 1 50 20 41 1