@MOLECULE 1-deoxy-1-(7-methyl-2,4,8-trioxo-1,3,4,8-tetrahydropyrimido[4,5-b]quinolin-10(2h)-yl)-5-o-phosphonopentitol 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P 5.2126 -0.6457 1.0032 P.3 1 UNL1 0.4060 2 O 0.4462 -0.8370 -2.7121 O.2 1 UNL1 -0.3530 3 O 0.9217 -1.5361 0.5746 O.2 1 UNL1 -0.3412 4 O 2.9802 -2.6621 -1.4620 O.2 1 UNL1 -0.3274 5 O 4.5862 -0.0687 -0.3730 O.3 1 UNL1 -0.1991 6 O 0.6280 5.3801 -1.3863 O.2 1 UNL1 -0.2604 7 O -3.4103 -4.0545 -0.8527 O.2 1 UNL1 -0.3899 8 O -3.0623 4.1665 1.1442 O.2 1 UNL1 -0.3860 9 O 6.7700 -0.6799 0.8017 O.3 1 UNL1 -0.0468 10 O 4.3716 -1.5777 1.6965 O.2 1 UNL1 -0.2372 11 O 6.0788 0.5284 1.5833 O.3 1 UNL1 -0.0414 12 N -1.6458 0.3937 -0.4675 N.pl3 1 UNL1 -0.1771 13 N -1.6965 2.7116 -0.0893 N.am 1 UNL1 -0.5508 14 N -1.3079 5.0086 -0.0386 N.am 1 UNL1 -0.5661 15 C 0.3649 -0.5952 -1.5329 C.2 1 UNL1 0.2406 16 C -0.4269 0.4578 -0.9464 C.3 1 UNL1 0.0814 17 C 1.3096 -1.2714 -0.5281 C.2 1 UNL1 0.2768 18 C 2.7069 -1.5773 -1.0197 C.2 1 UNL1 0.1742 19 C -2.3800 -0.7692 -0.4291 C.1 1 UNL1 0.0628 20 C -2.2796 1.5911 0.1378 C.2 1 UNL1 0.5483 21 C -5.0935 -0.5657 1.3848 C.2 1 UNL1 -0.1549 22 C -3.4494 1.2184 0.8235 C.1 1 UNL1 -0.2629 23 C -4.3980 0.5884 1.2697 C.2 1 UNL1 0.2099 24 C 3.6519 -0.3994 -1.1173 C.3 1 UNL1 0.3330 25 C -3.0018 -1.8139 -0.3780 C.1 1 UNL1 -0.1610 26 C -5.2131 -1.7504 1.1018 C.1 1 UNL1 0.1347 27 C -0.2984 5.0529 -0.7630 C.1 1 UNL1 0.6537 28 C -4.9783 -3.0050 0.5593 C.2 1 UNL1 -0.6484 29 C -3.7417 -3.0410 -0.2908 C.2 1 UNL1 0.5781 30 C -2.1273 3.9791 0.4175 C.2 1 UNL1 0.7609 31 C -5.7188 -4.1097 0.7312 C.3 1 UNL1 0.6431 @BOND 1 2 15 2 2 15 16 1 3 15 17 1 4 4 18 2 5 6 27 2 6 24 18 1 7 24 5 1 8 18 17 1 9 16 12 1 10 7 29 2 11 27 14 2 12 17 3 2 13 12 19 1 14 12 20 1 15 19 25 3 16 25 29 1 17 5 1 1 18 29 28 1 19 13 20 1 20 13 30 am 21 14 30 1 22 20 22 2 23 30 8 2 24 28 31 1 25 28 26 2 26 9 1 1 27 9 11 1 28 22 23 2 29 1 11 1 30 1 10 2 31 26 21 2 32 23 21 1