@MOLECULE 1-(5-amino-5-deoxy-beta-d-allofuranuronosyl)-5-(hydroxymethyl)-2,4(1h,3h)-pyrimidinedione 37 38 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.1914 0.1755 -1.0140 O.3 1 UNL111111111 -0.4205 2 O 3.1862 2.4877 -0.2634 O.3 1 UNL111111111 -0.5381 3 O 0.7953 3.3457 0.4727 O.3 1 UNL111111111 -0.5591 4 OXT 1.1861 -2.9208 0.0864 O.3 1 UNL111111111 -0.5961 5 O -1.7230 2.9116 -0.4251 O.2 1 UNL111111111 -0.5642 6 O 3.1126 -2.6422 -1.0045 O.2 1 UNL111111111 -0.4657 7 O -4.7635 -0.3115 0.5376 O.2 1 UNL111111111 -0.4576 8 O -1.8855 -3.3391 -0.1550 O.3 1 UNL111111111 -0.5392 9 N -1.0018 0.7390 -0.4124 N.ar 1 UNL111111111 -0.4911 10 N 3.6565 -0.9697 1.4518 N.3 1 UNL111111111 -0.6219 11 N -3.2806 1.2955 0.0104 N.ar 1 UNL111111111 -0.6067 12 C 2.4141 0.2470 -0.2746 C.3 1 UNL111111111 0.0707 13 C 2.4344 1.5848 0.5029 C.3 1 UNL111111111 0.0972 14 C 0.9357 1.9597 0.5708 C.3 1 UNL111111111 0.0288 15 C 0.3526 1.2588 -0.6947 C.3 1 UNL111111111 0.2530 16 CA 2.4226 -0.9828 0.6654 C.3 1 UNL111111111 -0.0536 17 C -1.2776 -0.6076 -0.2534 C.ar 1 UNL111111111 0.1617 18 C -2.0005 1.7302 -0.2903 C.ar 1 UNL111111111 0.7119 19 C 2.3222 -2.2322 -0.2032 C.2 1 UNL111111111 0.5878 20 C -2.5238 -1.0191 0.0921 C.ar 1 UNL111111111 -0.3373 21 C -3.6185 -0.0743 0.2415 C.ar 1 UNL111111111 0.6072 22 C -2.8695 -2.4564 0.3318 C.3 1 UNL111111111 0.0471 23 H 3.2141 0.2041 -1.0506 H 1 UNL111111111 0.1880 24 H 2.9337 1.5141 1.4933 H 1 UNL111111111 0.1756 25 H 0.4624 1.6179 1.5140 H 1 UNL111111111 0.1478 26 H 0.3182 1.9232 -1.5980 H 1 UNL111111111 0.1833 27 HA 1.5470 -0.9347 1.3702 H 1 UNL111111111 0.1823 28 H 2.7050 3.3497 -0.3380 H 1 UNL111111111 0.3507 29 H -0.1325 3.5627 0.1842 H 1 UNL111111111 0.3722 30 H -0.4341 -1.3001 -0.4273 H 1 UNL111111111 0.2064 31 H1 4.4889 -1.0007 0.8785 H 1 UNL111111111 0.2741 32 H2 3.6894 -1.7050 2.1403 H 1 UNL111111111 0.2680 33 H -4.0186 2.0024 0.0913 H 1 UNL111111111 0.3520 34 H -3.7775 -2.7630 -0.2340 H 1 UNL111111111 0.1689 35 H -3.0332 -2.6559 1.4109 H 1 UNL111111111 0.1330 36 HXT 1.0735 -3.7497 -0.4492 H 1 UNL111111111 0.3712 37 H -1.0130 -3.1594 0.2466 H 1 UNL111111111 0.3123 @BOND 1 26 15 1 2 23 12 1 3 1 15 1 4 1 12 1 5 6 19 2 6 15 9 1 7 15 14 1 8 36 4 1 9 30 17 1 10 5 18 2 11 9 18 ar 12 9 17 ar 13 28 2 1 14 18 11 ar 15 12 13 1 16 12 16 1 17 2 13 1 18 17 20 ar 19 34 22 1 20 19 4 1 21 19 16 1 22 8 37 1 23 8 22 1 24 11 33 1 25 11 21 ar 26 20 21 ar 27 20 22 1 28 29 3 1 29 21 7 2 30 22 35 1 31 3 14 1 32 13 14 1 33 13 24 1 34 14 25 1 35 16 27 1 36 16 10 1 37 31 10 1 38 10 32 1