@MOLECULE (2r,3r,3as,9ar)-3-hydroxy-2-(hydroxymethyl)-6-oxo-2,3,3a,9a-tetrahydro-6h-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidine-8-carboxylic acid 29 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.3509 -1.2029 -0.2669 O.3 1 UNL1 -0.1019 2 O 0.8133 2.0801 -0.7959 O.3 1 UNL1 -0.1702 3 O 3.9687 0.5479 -0.5212 O.3 1 UNL1 -0.4008 4 O 1.3982 -1.6053 2.6466 O.3 1 UNL1 -0.4043 5 O -2.4453 -2.6073 0.1304 O.3 1 UNL1 -0.3328 6 O -3.3955 2.2485 1.0719 O.2 1 UNL1 -0.2610 7 O -1.0652 -2.4819 -1.6317 O.2 1 UNL1 -0.2459 8 N -0.4748 0.2071 -0.7766 N.ar 1 UNL1 -0.7662 9 N -1.3063 2.2704 0.1692 N.ar 1 UNL1 -0.6987 10 C 1.6862 0.9920 -1.1690 C.3 1 UNL1 0.1687 11 C 0.8342 -0.3146 -1.2083 C.3 1 UNL1 -0.2812 12 C 2.6815 0.7748 -0.0078 C.3 1 UNL1 -0.4132 13 C 2.2520 -0.5619 0.6369 C.3 1 UNL1 0.3094 14 C -0.3942 1.5717 -0.4173 C.ar 1 UNL1 0.6362 15 C 1.5591 -0.3721 1.9908 C.3 1 UNL1 -0.7032 16 C -1.6036 -0.4942 -0.3723 C.ar 1 UNL1 0.9577 17 C -2.6142 0.1644 0.2422 C.ar 1 UNL1 -0.8431 18 C -2.5259 1.6138 0.5383 C.ar 1 UNL1 0.5962 19 C -1.6367 -1.9448 -0.7217 C.2 1 UNL1 -0.0442 20 H 2.1453 1.2917 -2.1249 H 1 UNL1 0.1491 21 H 0.7575 -0.8881 -2.1606 H 1 UNL1 0.3908 22 H 2.6912 1.6320 0.6984 H 1 UNL1 0.2939 23 H 3.1008 -1.2845 0.6964 H 1 UNL1 0.1577 24 H 0.5126 -0.0220 1.8802 H 1 UNL1 0.4427 25 H 2.1142 0.3255 2.6449 H 1 UNL1 0.2063 26 H 4.4099 1.3913 -0.7617 H 1 UNL1 0.3370 27 H -3.5306 -0.3344 0.5616 H 1 UNL1 0.3397 28 H 2.2646 -2.0303 2.8174 H 1 UNL1 0.3335 29 H -2.4790 -3.5873 -0.0453 H 1 UNL1 0.3477 @BOND 1 21 11 1 2 20 10 1 3 7 19 2 4 11 10 1 5 11 8 1 6 11 1 1 7 10 2 1 8 10 12 1 9 2 14 1 10 8 14 ar 11 8 16 ar 12 26 3 1 13 19 16 1 14 19 5 1 15 3 12 1 16 14 9 ar 17 16 17 ar 18 1 13 1 19 29 5 1 20 12 13 1 21 12 22 1 22 9 18 ar 23 17 18 ar 24 17 27 1 25 18 6 2 26 13 23 1 27 13 15 1 28 24 15 1 29 15 25 1 30 15 4 1 31 4 28 1