@MOLECULE n-[(2-amino-4-oxo-1,4-dihydro-7-pteridinyl)carbonyl]glycyl-l-phenylalanine 47 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -5.5971 1.1166 1.8397 C.ar 1 UNL1 0.5947 2 N -5.8015 1.9567 2.9205 N.pl3 1 UNL1 -0.6006 3 O -7.4778 -0.6341 -0.4906 O.2 1 UNL1 -0.3356 4 C -6.5066 -0.1801 0.0432 C.ar 1 UNL1 0.5886 5 N -6.6217 0.5781 1.2250 N.ar 1 UNL1 -0.6259 6 C -5.0970 -0.3662 -0.4520 C.ar 1 UNL1 -0.0989 7 N -4.2492 0.9399 1.4493 N.ar 1 UNL1 -0.5236 8 O -0.8763 -1.0819 -2.8820 O.2 1 UNL1 -0.5107 9 C -4.0217 0.2147 0.2838 C.ar 1 UNL1 0.3002 10 N -2.7338 0.0729 -0.1154 N.ar 1 UNL1 -0.3961 11 CA -2.5230 -0.6315 -1.2383 C.ar 1 UNL1 0.0571 12 N -4.8588 -1.0617 -1.5696 N.ar 1 UNL1 -0.2062 13 C -3.5872 -1.1989 -1.9761 C.ar 1 UNL1 -0.0348 14 C -1.1085 -0.7878 -1.7257 C.2 1 ACE1 0.5719 15 N -0.1220 -0.6366 -0.7906 N.am 1 UNL1 -0.5302 16 CA 1.2746 -0.6978 -1.2131 C.3 1 UNL1 -0.1505 17 C 2.0904 0.2424 -0.3319 C.2 1 UNL1 0.5710 18 O 1.7199 0.5959 0.7676 O.2 1 UNL1 -0.5196 19 N 3.2986 0.6556 -0.8569 N.am 1 UNL1 -0.5961 20 CA 4.2316 1.4007 -0.0190 C.3 1 UNL1 0.0339 21 C 4.6499 2.6461 -0.7919 C.2 1 UNL1 0.6032 22 O 4.7607 2.7781 -1.9797 O.2 1 UNL1 -0.4880 23 CB 5.5089 0.5833 0.2890 C.3 1 UNL1 -0.3192 24 CG 5.1384 -0.7641 0.8291 C.ar 1 UNL1 0.0107 25 CD2 4.5836 -0.8789 2.1056 C.ar 1 UNL1 -0.1591 26 CD1 5.3170 -1.9039 0.0430 C.ar 1 UNL1 -0.1776 27 CE2 4.1950 -2.1272 2.5850 C.ar 1 UNL1 -0.1333 28 CE1 4.9289 -3.1513 0.5270 C.ar 1 UNL1 -0.1422 29 CZ 4.3639 -3.2640 1.7955 C.ar 1 UNL1 -0.1576 30 OXT 4.9313 3.6469 0.0736 O.3 1 UNL1 -0.5519 31 H -6.7548 2.0409 3.2506 H 1 UNL1 0.3329 32 H -5.0892 2.0759 3.6117 H 1 UNL1 0.3052 33 H -3.4708 1.4186 1.8916 H 1 UNL1 0.3442 34 H -3.4094 -1.7606 -2.9049 H 1 UNL1 0.2187 35 H -0.3085 -0.3046 0.1550 H 1 UNL1 0.3530 36 HA1 1.3678 -0.4526 -2.3017 H 1 UNL1 0.1928 37 HA2 1.6602 -1.7420 -1.0874 H 1 UNL1 0.1764 38 H 3.6325 0.3650 -1.7645 H 1 UNL1 0.3282 39 HA 3.7242 1.6967 0.9490 H 1 UNL1 0.2113 40 HB1 6.1397 0.4892 -0.6192 H 1 UNL1 0.1638 41 HB2 6.1330 1.1398 1.0218 H 1 UNL1 0.1739 42 HD2 4.4408 0.0070 2.7221 H 1 UNL1 0.1580 43 HD1 5.7598 -1.8235 -0.9474 H 1 UNL1 0.1517 44 HE2 3.7538 -2.2139 3.5768 H 1 UNL1 0.1523 45 HE1 5.0679 -4.0393 -0.0869 H 1 UNL1 0.1507 46 HZ 4.0557 -4.2379 2.1707 H 1 UNL1 0.1531 47 HXT 5.2109 4.4903 -0.3642 H 1 UNL1 0.3599 @BOND 1 34 13 1 2 8 14 2 3 36 16 1 4 22 21 2 5 13 12 ar 6 13 11 ar 7 38 19 1 8 14 11 1 9 14 15 am 10 12 6 ar 11 11 10 ar 12 16 37 1 13 16 15 1 14 16 17 1 15 43 26 1 16 19 17 am 17 19 20 1 18 21 20 1 19 21 30 1 20 15 35 1 21 40 23 1 22 3 4 2 23 6 4 ar 24 6 9 ar 25 47 30 1 26 17 18 2 27 10 9 ar 28 45 28 1 29 20 23 1 30 20 39 1 31 26 28 ar 32 26 24 ar 33 4 5 ar 34 9 7 ar 35 23 24 1 36 23 41 1 37 28 29 ar 38 24 25 ar 39 5 1 ar 40 7 1 ar 41 7 33 1 42 29 46 1 43 29 27 ar 44 1 2 1 45 25 27 ar 46 25 42 1 47 27 44 1 48 2 31 1 49 2 32 1