@MOLECULE 6-ethyl-3-[(2-hydroxyethoxy)methyl]-3,5-dihydro-9h-imidazo[1,2-a]purin-9-one 35 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.9529 1.0402 -0.5074 O.3 1 UNL1 -0.4153 2 O -1.3296 -2.7338 0.9556 O.2 1 UNL1 -0.3949 3 O 1.7332 1.2463 2.0915 O.3 1 UNL1 -0.5397 4 N -1.6414 -0.6494 0.1117 N.ar 1 UNL1 -0.4346 5 N 2.2359 -0.4580 -1.0345 N.ar 1 UNL1 -0.3629 6 N -2.2374 1.3922 -0.6246 N.ar 1 UNL1 -0.4022 7 N 0.0759 0.7252 -0.9831 N.ar 1 UNL1 -0.5610 8 N 1.6455 -2.3897 0.0130 N.ar 1 UNL1 -0.2703 9 C -1.1752 0.5087 -0.5442 C.ar 1 UNL1 0.4722 10 C 0.8928 -0.3428 -0.7203 C.ar 1 UNL1 0.2940 11 C -3.3680 0.7929 -0.0106 C.ar 1 UNL1 0.0772 12 C 0.5263 -1.5649 -0.0731 C.ar 1 UNL1 -0.2479 13 C -2.9982 -0.4539 0.4416 C.ar 1 UNL1 -0.0543 14 C -0.8032 -1.8157 0.3968 C.ar 1 UNL1 0.6374 15 C -4.6634 1.5012 0.0689 C.3 1 UNL1 -0.2512 16 C 3.0948 0.6118 -1.5245 C.3 1 UNL1 0.1611 17 C 2.6540 -1.7283 -0.5387 C.ar 1 UNL1 0.0999 18 C -5.8208 0.5518 -0.2481 C.3 1 UNL1 -0.4269 19 C 3.4080 1.9108 0.4760 C.3 1 UNL1 -0.0863 20 C 3.0950 1.1135 1.7476 C.3 1 UNL1 -0.0323 21 H -3.5568 -1.2152 0.9585 H 1 UNL1 0.2073 22 H -2.1944 2.2991 -1.0402 H 1 UNL1 0.3442 23 H -4.7971 1.9343 1.0879 H 1 UNL1 0.1664 24 H -4.6944 2.3708 -0.6225 H 1 UNL1 0.1524 25 H 3.8056 0.2112 -2.2863 H 1 UNL1 0.1560 26 H 2.4740 1.4418 -1.9338 H 1 UNL1 0.1589 27 H 3.6721 -2.0664 -0.6364 H 1 UNL1 0.1975 28 H -6.7783 1.0845 -0.2690 H 1 UNL1 0.1484 29 H -5.9082 -0.2457 0.5003 H 1 UNL1 0.1537 30 H -5.6914 0.0706 -1.2261 H 1 UNL1 0.1559 31 H 4.2326 2.6326 0.6281 H 1 UNL1 0.1454 32 H 2.5188 2.4542 0.1101 H 1 UNL1 0.1502 33 H 3.6102 1.5228 2.6364 H 1 UNL1 0.1468 34 H 3.3574 0.0450 1.6355 H 1 UNL1 0.1408 35 H 1.1690 0.8031 1.4285 H 1 UNL1 0.3142 @BOND 1 25 16 1 2 26 16 1 3 16 5 1 4 16 1 1 5 30 18 1 6 22 6 1 7 5 10 ar 8 5 17 ar 9 7 10 ar 10 7 9 ar 11 10 12 ar 12 27 17 1 13 6 9 ar 14 6 11 ar 15 24 15 1 16 9 4 ar 17 17 8 ar 18 1 19 1 19 28 18 1 20 18 15 1 21 18 29 1 22 12 8 ar 23 12 14 ar 24 11 15 1 25 11 13 ar 26 15 23 1 27 32 19 1 28 4 14 ar 29 4 13 ar 30 14 2 2 31 13 21 1 32 19 31 1 33 19 20 1 34 35 3 1 35 34 20 1 36 20 3 1 37 20 33 1