@MOLECULE 1-deoxy-1-(2,4,8-trioxo-1,3,4,8-tetrahydropyrimido[4,5-b]quinolin-10(2h)-yl)pentitol 43 45 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.7278 1.7784 1.4789 O.3 1 UNL1 -0.6004 2 O 2.5695 2.5785 -0.4553 O.3 1 UNL1 -0.5656 3 O 4.0047 -0.4258 0.7245 O.3 1 UNL1 -0.5653 4 O 6.1320 0.4988 -0.9495 O.3 1 UNL1 -0.5411 5 O -5.2543 0.4245 -0.1695 O.2 1 UNL1 -0.4621 6 O -2.4568 4.0032 -0.0373 O.2 1 UNL1 -0.4658 7 O 1.4307 -4.5475 0.1295 O.2 1 UNL1 -0.4778 8 N -0.5033 -0.2104 -0.1922 N.ar 1 UNL1 -0.3581 9 N -1.5138 1.9402 -0.0868 N.ar 1 UNL1 -0.5772 10 N -3.8918 2.2138 -0.1554 N.ar 1 UNL1 -0.6248 11 C 1.5338 0.8140 0.8238 C.3 1 UNL1 0.0966 12 C 0.8022 0.4076 -0.4712 C.3 1 UNL1 -0.1424 13 C 2.8369 1.5773 0.5031 C.3 1 UNL1 0.0926 14 C 3.8759 0.6578 -0.1705 C.3 1 UNL1 0.0828 15 C -1.6409 0.5620 -0.1363 C.ar 1 UNL1 0.4854 16 C -0.5903 -1.6277 -0.0883 C.ar 1 UNL1 0.2866 17 C -2.9167 -0.0192 -0.1350 C.ar 1 UNL1 -0.4234 18 C -1.9222 -2.2130 -0.0948 C.ar 1 UNL1 -0.2038 19 C -3.0407 -1.4294 -0.1292 C.ar 1 UNL1 0.0696 20 C 5.2130 1.3881 -0.3537 C.3 1 UNL1 -0.0577 21 C 0.5278 -2.3897 0.0141 C.ar 1 UNL1 -0.4554 22 C -4.1086 0.8042 -0.1510 C.ar 1 UNL1 0.6362 23 C -2.0070 -3.6593 -0.0537 C.ar 1 UNL1 -0.0591 24 C -2.6397 2.8100 -0.0937 C.ar 1 UNL1 0.7118 25 C 0.4399 -3.8499 0.0634 C.ar 1 UNL1 0.4965 26 C -0.9132 -4.4356 0.0205 C.ar 1 UNL1 -0.2853 27 H 1.7284 -0.0587 1.4884 H 1 UNL1 0.1677 28 H 0.6846 1.2909 -1.1467 H 1 UNL1 0.1815 29 H 1.4347 -0.3074 -1.0580 H 1 UNL1 0.1892 30 H 3.2410 2.0434 1.4296 H 1 UNL1 0.1484 31 H 3.5089 0.2522 -1.1397 H 1 UNL1 0.1367 32 H -4.0506 -1.8597 -0.1412 H 1 UNL1 0.1835 33 H 5.1024 2.3101 -0.9512 H 1 UNL1 0.1422 34 H 5.6947 1.6296 0.6135 H 1 UNL1 0.1560 35 H -0.5945 2.3687 0.1027 H 1 UNL1 0.3700 36 H 1.5403 -2.0022 0.0707 H 1 UNL1 0.1905 37 H 0.2673 1.3982 2.2535 H 1 UNL1 0.3458 38 H -3.0103 -4.0913 -0.0825 H 1 UNL1 0.1565 39 H 2.0672 3.3156 -0.0424 H 1 UNL1 0.3408 40 H -4.7106 2.8296 -0.1759 H 1 UNL1 0.3529 41 H 4.8849 -0.8550 0.6092 H 1 UNL1 0.3517 42 H -0.9552 -5.5218 0.0552 H 1 UNL1 0.1766 43 H 5.9455 0.3831 -1.9029 H 1 UNL1 0.3172 @BOND 1 43 4 1 2 28 12 1 3 31 14 1 4 29 12 1 5 33 20 1 6 4 20 1 7 12 8 1 8 12 11 1 9 2 39 1 10 2 13 1 11 20 14 1 12 20 34 1 13 8 15 ar 14 8 16 ar 15 40 10 1 16 14 13 1 17 14 3 1 18 5 22 2 19 10 22 ar 20 10 24 ar 21 22 17 ar 22 32 19 1 23 15 17 ar 24 15 9 ar 25 17 19 ar 26 19 18 ar 27 18 16 ar 28 18 23 ar 29 24 9 ar 30 24 6 2 31 16 21 ar 32 9 35 1 33 38 23 1 34 23 26 ar 35 21 25 ar 36 21 36 1 37 26 42 1 38 26 25 ar 39 25 7 2 40 13 11 1 41 13 30 1 42 41 3 1 43 11 1 1 44 11 27 1 45 1 37 1