@MOLECULE n-(4-{[(2,4-diamino-6-oxo-1,6-dihydro-5-pyrimidinyl)carbamoyl]amino}benzoyl)-l-glutamic acid 50 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 8.7499 1.6276 -1.5703 N.pl3 0 UNK0 -0.6086 2 N 6.7716 1.8232 -0.3578 N.ar 0 UNK0 -0.6241 3 C 7.6295 1.0414 -1.0169 C.ar 0 UNK0 0.6027 4 N 7.4702 -0.3309 -1.1469 N.ar 0 UNK0 -0.6063 5 C 6.3540 -0.9845 -0.5173 C.ar 0 UNK0 0.6113 6 O 6.3033 -2.1889 -0.6475 O.2 0 UNK0 -0.5183 7 N 4.4072 -0.8161 0.9021 N.am 0 UNK0 -0.4807 8 C 5.4526 -0.1414 0.2172 C.ar 0 UNK0 -0.3089 9 C 5.6838 1.2438 0.2845 C.ar 0 UNK0 0.5113 10 N 4.9181 2.1286 0.9854 N.pl3 0 UNK0 -0.5295 11 O 2.7686 0.6214 0.1733 O.2 0 UNK0 -0.5733 12 N 2.1346 -1.4204 1.0338 N.am 0 UNK0 -0.5838 13 C 0.7436 -1.2025 0.9937 C.ar 0 UNK0 0.2770 14 C -0.0583 -2.0584 1.7758 C.ar 0 UNK0 -0.2820 15 C -1.4393 -1.9264 1.7428 C.ar 0 UNK0 -0.0339 16 C -2.0291 -0.9591 0.9279 C.ar 0 UNK0 -0.2022 17 C -1.2362 -0.1028 0.1629 C.ar 0 UNK0 -0.0618 18 C 0.1471 -0.2196 0.1888 C.ar 0 UNK0 -0.2332 19 C -3.5052 -0.8486 0.9235 C.2 0 UNK0 0.6052 20 O -4.1906 -0.7574 1.9225 O.2 0 UNK0 -0.5350 21 C 3.0841 -0.4652 0.6232 C.2 0 UNK0 0.7116 22 N -4.0978 -0.8580 -0.3293 N.am 1 GLU1 -0.6114 23 CA -5.5480 -0.7625 -0.4559 C.3 1 GLU1 0.0326 24 C -5.9739 -1.7161 -1.5653 C.2 1 GLU1 0.5999 25 O -5.3110 -2.1466 -2.4692 O.2 1 GLU1 -0.4926 26 CB -5.9923 0.6646 -0.8393 C.3 1 GLU1 -0.2813 27 CG -6.0177 1.5652 0.3965 C.3 1 GLU1 -0.3449 28 CD -5.9092 2.9993 -0.0031 C.2 1 GLU1 0.6495 29 OE1 -5.4159 3.4785 -0.9902 O.2 1 GLU1 -0.5158 30 OE2 -6.4610 3.7978 0.9490 O.3 1 GLU1 -0.5668 31 OXT -7.2798 -2.0392 -1.4183 O.3 1 GLU1 -0.5547 32 H 8.8245 2.6319 -1.5252 H 0 UNK0 0.3307 33 H 9.2659 1.1707 -2.2923 H 0 UNK0 0.3104 34 H 5.1051 3.1117 0.8960 H 0 UNK0 0.3108 35 H 3.9667 1.8611 1.1985 H 0 UNK0 0.3363 36 H 2.4485 -2.2458 1.5357 H 0 UNK0 0.3164 37 H 0.3952 -2.8157 2.4096 H 0 UNK0 0.1622 38 H 0.7583 0.4520 -0.4207 H 0 UNK0 0.2047 39 H -2.0684 -2.5754 2.3572 H 0 UNK0 0.1649 40 H -1.6983 0.6692 -0.4562 H 0 UNK0 0.1611 41 H 4.6372 -1.7855 1.1258 H 0 UNK0 0.3216 42 H 8.1403 -0.9129 -1.6398 H 0 UNK0 0.3335 43 H -3.5616 -0.9576 -1.1819 H 1 GLU1 0.3341 44 HA -6.0391 -1.0708 0.5170 H 1 GLU1 0.2068 45 HB1 -5.3091 1.0838 -1.6115 H 1 GLU1 0.1795 46 HB2 -6.9956 0.6388 -1.3113 H 1 GLU1 0.1619 47 HG1 -6.9314 1.3881 1.0062 H 1 GLU1 0.1874 48 HG2 -5.1763 1.3187 1.0935 H 1 GLU1 0.2098 49 HE2 -6.3956 4.7626 0.7468 H 1 GLU1 0.3555 50 HXT -7.6207 -2.6587 -2.1118 H 1 GLU1 0.3602 @BOND 1 25 24 2 2 33 1 1 3 50 31 1 4 42 4 1 5 45 26 1 6 1 32 1 7 1 3 1 8 24 31 1 9 24 23 1 10 46 26 1 11 43 22 1 12 4 3 ar 13 4 5 ar 14 3 2 ar 15 29 28 2 16 26 23 1 17 26 27 1 18 6 5 2 19 5 8 ar 20 40 17 1 21 23 22 1 22 23 44 1 23 38 18 1 24 2 9 ar 25 22 19 am 26 28 27 1 27 28 30 1 28 17 18 ar 29 17 16 ar 30 11 21 2 31 18 13 ar 32 8 9 ar 33 8 7 1 34 9 10 1 35 27 47 1 36 27 48 1 37 21 7 am 38 21 12 am 39 49 30 1 40 34 10 1 41 7 41 1 42 19 16 1 43 19 20 2 44 16 15 ar 45 10 35 1 46 13 12 1 47 13 14 ar 48 12 36 1 49 15 14 ar 50 15 39 1 51 14 37 1