@MOLECULE 5-(2-amino-4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl)pentanoic acid 29 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.5351 -2.3884 0.4131 O.2 1 UNL1 -0.4234 2 O 1.4930 2.3509 0.4922 O.2 1 UNL1 -0.4827 3 O -5.8054 0.0125 -1.2343 O.3 1 UNL1 -0.5785 4 O -5.2931 -0.0308 0.9300 O.2 1 UNL1 -0.5090 5 N 3.2990 1.2190 -0.1920 N.am 1 UNL1 -0.6269 6 N 3.3575 -1.1733 -0.2489 N.2 1 UNL1 -0.6596 7 N 5.2325 0.0385 -0.9149 N.3 1 UNL1 -0.6182 8 C -1.0720 0.0108 -0.1332 C.3 1 UNL1 -0.2645 9 C -0.0677 -0.0930 1.0287 C.3 1 UNL1 -0.2014 10 C -2.5057 0.0207 0.4051 C.3 1 UNL1 -0.2530 11 C 1.3293 -0.0436 0.5196 C.3 1 UNL1 -0.4015 12 C -3.5163 0.0599 -0.7452 C.3 1 UNL1 -0.3467 13 C 1.9314 1.2408 0.3139 C.2 1 UNL1 0.6286 14 C 2.0660 -1.1699 0.2303 C.2 1 UNL1 0.5252 15 C -4.9083 0.0103 -0.2082 C.2 1 UNL1 0.6462 16 C 3.9426 0.0198 -0.4459 C.3 1 UNL1 0.6114 17 H -0.8709 0.9314 -0.7140 H 1 UNL1 0.1458 18 H -0.9212 -0.8336 -0.8303 H 1 UNL1 0.1384 19 H -0.2399 -1.0311 1.5976 H 1 UNL1 0.1513 20 H -0.2416 0.7346 1.7514 H 1 UNL1 0.1575 21 H -2.6577 0.8921 1.0740 H 1 UNL1 0.1550 22 H -2.6857 -0.8706 1.0392 H 1 UNL1 0.1517 23 H -3.3794 0.9756 -1.3615 H 1 UNL1 0.1826 24 H -3.3510 -0.7861 -1.4479 H 1 UNL1 0.1801 25 H 3.7522 2.1157 -0.3397 H 1 UNL1 0.3304 26 H 2.1886 -3.1117 0.1734 H 1 UNL1 0.3520 27 H 5.7213 0.8855 -1.0991 H 1 UNL1 0.3174 28 H 5.6958 -0.8328 -1.1046 H 1 UNL1 0.3370 29 H -6.7464 -0.0190 -0.9388 H 1 UNL1 0.3549 @BOND 1 24 12 1 2 23 12 1 3 3 29 1 4 3 15 1 5 28 7 1 6 27 7 1 7 7 16 1 8 18 8 1 9 12 15 1 10 12 10 1 11 17 8 1 12 16 6 1 13 16 5 1 14 25 5 1 15 6 14 2 16 15 4 2 17 5 13 am 18 8 10 1 19 8 9 1 20 26 1 1 21 14 1 1 22 14 11 1 23 13 2 2 24 13 11 1 25 10 22 1 26 10 21 1 27 11 9 1 28 9 19 1 29 9 20 1