@MOLECULE (2s,3as,9ar)-7-ethyl-2-(hydroxymethyl)-2,3,3a,9a-tetrahydro-6h-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.8647 -1.1957 1.1105 O.3 1 UNL1 -0.1202 2 O -1.2798 1.8580 -0.1357 O.3 1 UNL1 -0.1124 3 O -1.4796 -0.7505 -2.1960 O.3 1 UNL1 -0.3733 4 O 3.2164 1.3737 -0.9626 O.2 1 UNL1 -0.3119 5 N -0.0731 0.3454 1.0663 N.ar 1 UNL1 -0.3463 6 N 0.9891 1.6708 -0.6463 N.ar 1 UNL1 -0.7062 7 C -2.2439 1.1292 0.6639 C.3 1 UNL1 -0.0840 8 C -1.4455 0.0759 1.5039 C.3 1 UNL1 -0.2758 9 C -3.1236 0.3005 -0.2645 C.3 1 UNL1 -0.4651 10 C -2.6622 -1.1517 -0.0830 C.3 1 UNL1 0.1198 11 C -0.0448 1.3123 0.0383 C.ar 1 UNL1 0.5296 12 C -1.8261 -1.7216 -1.2414 C.3 1 UNL1 -0.4807 13 C 1.0495 -0.4633 1.2268 C.ar 1 UNL1 0.0388 14 C 2.1786 -0.1621 0.5383 C.ar 1 UNL1 -0.3208 15 C 2.2269 0.9884 -0.3984 C.ar 1 UNL1 0.5941 16 C 3.4126 -0.9887 0.6553 C.3 1 UNL1 -0.3132 17 C 3.3256 -2.2037 -0.2735 C.3 1 UNL1 -0.5126 18 H -2.7630 1.9090 1.2461 H 1 UNL1 0.2292 19 H -1.5402 0.1013 2.6093 H 1 UNL1 0.3200 20 H -4.1946 0.4191 -0.0230 H 1 UNL1 0.1971 21 H -3.0285 0.6393 -1.3229 H 1 UNL1 0.2420 22 H -3.5015 -1.8370 0.1706 H 1 UNL1 0.1499 23 H -2.4085 -2.4492 -1.8405 H 1 UNL1 0.2709 24 H -0.9128 -2.2176 -0.8595 H 1 UNL1 0.2207 25 H 0.9535 -1.2975 1.9281 H 1 UNL1 0.2877 26 H 4.3096 -0.3806 0.3906 H 1 UNL1 0.1928 27 H 3.5796 -1.3155 1.7009 H 1 UNL1 0.1773 28 H -0.8933 -0.0690 -1.8035 H 1 UNL1 0.3272 29 H 4.2376 -2.8087 -0.2178 H 1 UNL1 0.1829 30 H 3.2044 -1.8919 -1.3196 H 1 UNL1 0.1693 31 H 2.4798 -2.8494 -0.0194 H 1 UNL1 0.1732 @BOND 1 3 28 1 2 3 12 1 3 23 12 1 4 21 9 1 5 30 17 1 6 12 24 1 7 12 10 1 8 4 15 2 9 6 15 ar 10 6 11 ar 11 15 14 ar 12 17 29 1 13 17 31 1 14 17 16 1 15 9 10 1 16 9 20 1 17 9 7 1 18 2 11 1 19 2 7 1 20 10 22 1 21 10 1 1 22 11 5 ar 23 26 16 1 24 14 16 1 25 14 13 ar 26 16 27 1 27 7 18 1 28 7 8 1 29 5 13 ar 30 5 8 1 31 1 8 1 32 13 25 1 33 8 19 1