@MOLECULE n-[3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propyl]-7-(beta-d-galactopyranosyloxy)-2-oxo-2h-chromene-3-carboxamide 42 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -10.1724 1.8276 -0.4096 C.3 1 UNL1 0.1840 2 N -8.8530 1.9181 -0.2530 N.am 1 UNL1 -0.4883 3 C -8.1099 0.7246 -0.0917 C.2 1 UNL1 0.3369 4 CA -8.7264 -0.6140 -0.0579 C.2 1 UNL1 -0.2952 5 N -7.6754 -1.5422 0.1001 N.2 1 UNL1 -0.3020 6 C -6.5479 -0.8000 0.1508 C.2 1 UNL1 0.2730 7 C -5.2610 -1.2931 0.2990 C.3 1 UNL1 0.0446 8 C -4.1118 -1.7226 0.4283 C.1 1 UNL1 -0.0825 9 C -2.8796 -2.1939 0.5555 C.1 1 UNL1 0.1999 10 N -1.7697 -2.5745 0.8482 N.am 1 UNL1 -0.3522 11 C -0.6459 -3.1499 0.2041 C.2 1 UNL1 0.6124 12 O -0.6870 -4.2917 -0.1654 O.2 1 UNL1 -0.3658 13 C 0.5384 -2.2813 0.1704 C.ar 1 UNL1 -0.3765 14 C 0.5484 -0.9544 0.2598 C.ar 1 UNL1 0.2547 15 C 1.6039 -0.0598 0.2058 C.ar 1 UNL1 -0.2107 16 C 1.7340 1.3052 0.2833 C.ar 1 UNL1 0.1006 17 C 2.8314 1.9812 0.2125 C.ar 1 UNL1 -0.1099 18 C 4.0846 1.4481 0.0431 C.ar 1 UNL1 0.1950 19 O 5.2076 2.2298 -0.0158 O.3 1 UNL1 -0.1769 20 C 6.3353 1.4553 -0.2224 C.2 1 UNL1 0.2883 21 O 7.4095 2.2760 -0.4145 O.2 1 UNL1 -0.1328 22 C 8.5980 1.6470 -0.0275 C.2 1 UNL1 -0.3326 23 C 9.5148 2.4649 0.5056 C.1 1 UNL1 0.5361 24 O 10.3278 3.1504 0.9416 O.2 1 UNL1 -0.1309 25 C 8.8360 0.2254 -0.2381 C.2 1 UNL1 0.3836 26 O 9.9151 -0.2846 -0.0878 O.2 1 UNL1 -0.3638 27 C 7.5998 -0.6127 -0.5954 C.2 1 UNL1 0.3751 28 O 7.6908 -1.7229 -1.0302 O.2 1 UNL1 -0.2789 29 C 6.3537 0.1125 -0.3367 C.2 1 UNL1 -0.1816 30 O 5.2394 -0.6986 -0.2179 O.3 1 UNL1 -0.0818 31 C 4.0884 0.0372 -0.0539 C.ar 1 UNL1 -0.0414 32 C 2.8819 -0.7095 0.0253 C.ar 1 UNL1 0.2773 33 O 2.9798 -2.0345 -0.0667 O.2 1 UNL1 -0.3359 34 C 1.8468 -2.9184 0.0083 C.ar 1 UNL1 0.5869 35 O 2.1749 -4.0564 -0.0671 O.2 1 UNL1 -0.2836 36 N -6.7916 0.6049 0.0335 N.2 1 UNL1 -0.4408 37 C -10.0108 -0.9941 -0.1580 C.1 1 UNL1 0.5849 38 O -11.1036 -1.3297 -0.2409 O.2 1 UNL1 -0.0999 39 N -6.9598 3.3115 0.3203 N.am 1 UNL1 -0.6699 40 C -5.8535 3.3410 0.7840 C.1 1 UNL1 0.5184 41 C -8.1865 3.2252 -0.2810 C.2 1 UNL1 0.7587 42 O -8.7617 4.1386 -0.8029 O.2 1 UNL1 -0.3762 @BOND 1 28 27 2 2 42 41 2 3 27 29 1 4 27 25 1 5 21 20 1 6 21 22 1 7 1 2 1 8 29 20 2 9 29 30 1 10 41 2 am 11 41 39 am 12 2 3 1 13 38 37 2 14 25 26 2 15 25 22 1 16 20 19 1 17 30 31 1 18 12 11 2 19 37 4 2 20 3 4 1 21 3 36 2 22 35 34 2 23 33 34 ar 24 33 32 ar 25 4 5 1 26 31 32 ar 27 31 18 ar 28 22 23 2 29 19 18 1 30 34 13 ar 31 32 15 ar 32 36 6 1 33 18 17 ar 34 5 6 2 35 6 7 1 36 13 11 1 37 13 14 ar 38 11 10 am 39 15 14 ar 40 15 16 ar 41 17 16 ar 42 7 8 1 43 39 40 3 44 8 9 3 45 23 24 2 46 9 10 1