@MOLECULE 1-[(6r)-2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]-1,2-propanedione 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.7176 -1.0015 1.4343 O.2 1 UNL1 -0.3408 2 O 2.0298 -2.5687 0.0515 O.2 1 UNL1 -0.4327 3 O -3.6525 1.3229 1.0977 O.2 1 UNL1 -0.3725 4 N -0.2358 -1.2322 -0.9427 N.pl3 1 UNL1 -0.4397 5 N -0.1726 1.6365 -0.6217 N.pl3 1 UNL1 -0.5086 6 N 2.1609 1.4811 -0.0630 N.ar 1 UNL1 -0.5495 7 N 3.2410 -0.6526 0.2566 N.ar 1 UNL1 -0.6020 8 N 4.3883 1.3266 0.7597 N.pl3 1 UNL1 -0.6023 9 C -1.4820 -0.4630 -0.9003 C.3 1 UNL1 -0.0574 10 C -1.2248 0.9775 -1.4240 C.3 1 UNL1 -0.0984 11 C 0.8909 -0.5471 -0.4379 C.ar 1 UNL1 -0.1611 12 C 0.9571 0.8219 -0.4053 C.ar 1 UNL1 0.2855 13 C -2.1515 -0.4276 0.4774 C.2 1 UNL1 0.3120 14 C 2.0615 -1.3663 -0.0399 C.ar 1 UNL1 0.6011 15 C 3.2497 0.6563 0.3057 C.ar 1 UNL1 0.5682 16 C -3.5029 0.2850 0.5161 C.2 1 UNL1 0.3823 17 C -4.5872 -0.4008 -0.2532 C.3 1 UNL1 -0.5507 18 H -2.1947 -0.9779 -1.6130 H 1 UNL1 0.1699 19 H -0.9369 0.9114 -2.4988 H 1 UNL1 0.1499 20 H -2.1476 1.5988 -1.3521 H 1 UNL1 0.1555 21 H -0.3208 -2.1776 -0.5498 H 1 UNL1 0.3121 22 H 0.0037 2.5984 -0.8984 H 1 UNL1 0.2932 23 H 2.1105 2.4366 0.2724 H 1 UNL1 0.3240 24 H -4.5457 -0.1409 -1.3207 H 1 UNL1 0.1764 25 H -5.5845 -0.0882 0.0969 H 1 UNL1 0.1892 26 H -4.5437 -1.4972 -0.1718 H 1 UNL1 0.1792 27 H 5.2048 0.7378 0.8843 H 1 UNL1 0.3234 28 H 4.5906 2.2382 0.3921 H 1 UNL1 0.2938 @BOND 1 19 10 1 2 18 9 1 3 10 20 1 4 10 9 1 5 10 5 1 6 24 17 1 7 4 9 1 8 4 21 1 9 4 11 1 10 9 13 1 11 22 5 1 12 5 12 1 13 11 12 ar 14 11 14 ar 15 12 6 ar 16 17 26 1 17 17 25 1 18 17 16 1 19 6 23 1 20 6 15 ar 21 14 2 2 22 14 7 ar 23 7 15 ar 24 15 8 1 25 28 8 1 26 13 16 1 27 13 1 2 28 16 3 2 29 8 27 1