@MOLECULE n-[4-({2-[(6r)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[3,2-d]pyrimidin-6-yl]ethyl}amino)benzoyl]-l-glutamic acid 59 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -5.0084 1.6512 -2.2271 O.2 1 UNL1 -0.4487 2 O 4.3000 -1.5836 -2.0765 O.2 1 UNL1 -0.5298 3 O 8.2390 -1.2332 0.2895 O.3 1 UNL1 -0.5469 4 OXT 6.7949 -0.7805 1.9327 O.2 1 UNL1 -0.5162 5 OE2 5.5982 4.2125 0.9952 O.3 1 UNL1 -0.5677 6 OE1 7.1663 3.7637 -0.5225 O.2 1 UNL1 -0.5062 7 N -5.3161 -0.8692 -1.1125 N.pl3 1 UNL1 -0.4875 8 N -7.1523 1.3769 1.1841 N.ar 1 UNL1 -0.5021 9 N -1.4417 -2.0790 0.7272 N.pl3 1 UNL1 -0.5413 10 N -6.3309 2.6646 -0.6706 N.ar 1 UNL1 -0.6127 11 N -7.7982 3.6402 0.8761 N.pl3 1 UNL1 -0.6084 12 N 4.7603 -0.7780 -0.0223 N.am 1 UNL1 -0.6210 13 C -5.1301 -2.0560 -0.2673 C.3 1 UNL1 0.0880 14 C -6.4069 -2.2672 0.5799 C.3 1 UNL1 -0.2860 15 C -3.8865 -1.9632 0.6456 C.3 1 UNL1 -0.3563 16 C -6.7192 -1.0477 1.4597 C.3 1 UNL1 -0.2655 17 C -6.5595 0.2087 0.6657 C.ar 1 UNL1 0.0462 18 C -5.8418 0.2618 -0.4942 C.ar 1 UNL1 -0.0348 19 C -2.5916 -1.9900 -0.1815 C.3 1 UNL1 -0.0668 20 C -5.6846 1.5596 -1.2294 C.ar 1 UNL1 0.5829 21 C -7.0515 2.5459 0.4285 C.ar 1 UNL1 0.5611 22 C -0.1457 -1.9628 0.2663 C.ar 1 UNL1 0.3042 23 C 0.1573 -1.5114 -1.0354 C.ar 1 UNL1 -0.3223 24 C 0.9076 -2.2597 1.1673 C.ar 1 UNL1 -0.3267 25 CA 6.1262 -0.4476 -0.4047 C.3 1 UNL1 0.0354 26 CB 6.3159 1.0528 -0.7067 C.3 1 UNL1 -0.2866 27 C 2.5152 -1.5805 -0.4984 C.ar 1 UNL1 -0.2594 28 C 1.4803 -1.3280 -1.4048 C.ar 1 UNL1 0.0112 29 C 2.2211 -2.0655 0.7787 C.ar 1 UNL1 -0.0184 30 C 3.8977 -1.3446 -0.9553 C.2 0 ACE0 0.6157 31 CG 5.8266 1.9567 0.4240 C.3 1 UNL1 -0.3501 32 C 7.0370 -0.8291 0.7557 C.2 1 UNL1 0.6099 33 CD 6.3010 3.3568 0.2058 C.2 1 UNL1 0.6469 34 H -5.0126 -2.9300 -0.9659 H 1 UNL1 0.1471 35 H -6.3087 -3.1757 1.1988 H 1 UNL1 0.1442 36 H -7.2591 -2.4523 -0.1081 H 1 UNL1 0.1642 37 H -3.9267 -1.0333 1.2484 H 1 UNL1 0.1689 38 H -3.9031 -2.7961 1.3721 H 1 UNL1 0.1487 39 H -7.7469 -1.1414 1.8670 H 1 UNL1 0.1504 40 H -6.0455 -1.0251 2.3434 H 1 UNL1 0.1565 41 H -4.5846 -0.6843 -1.7972 H 1 UNL1 0.3140 42 H -2.5953 -2.8451 -0.8963 H 1 UNL1 0.1348 43 H -2.5057 -1.0518 -0.7824 H 1 UNL1 0.1574 44 H -7.8161 1.2915 1.9388 H 1 UNL1 0.3207 45 H -1.6006 -2.5489 1.6039 H 1 UNL1 0.3029 46 H -0.6325 -1.3020 -1.7489 H 1 UNL1 0.1670 47 H 0.6831 -2.6325 2.1609 H 1 UNL1 0.1592 48 HA 6.4126 -1.0433 -1.3281 H 1 UNL1 0.2118 49 H -7.8724 3.7941 1.8637 H 1 UNL1 0.2924 50 H -7.6711 4.4906 0.3365 H 1 UNL1 0.3228 51 HB1 7.3875 1.2522 -0.9314 H 1 UNL1 0.1774 52 HB2 5.7766 1.2976 -1.6480 H 1 UNL1 0.1757 53 H 1.7248 -0.9845 -2.4153 H 1 UNL1 0.1669 54 H 3.0287 -2.3057 1.4741 H 1 UNL1 0.1531 55 H 4.4621 -0.5194 0.9058 H 1 UNL1 0.3254 56 HG1 4.7155 1.9355 0.4998 H 1 UNL1 0.1897 57 HG2 6.1861 1.6007 1.4185 H 1 UNL1 0.1939 58 H 8.8851 -1.4799 0.9982 H 1 UNL1 0.3582 59 HE2 5.8735 5.1572 0.9034 H 1 UNL1 0.3567 @BOND 1 53 28 1 2 1 20 2 3 2 30 2 4 41 7 1 5 46 23 1 6 52 26 1 7 28 23 ar 8 28 27 ar 9 48 25 1 10 20 10 ar 11 20 18 ar 12 7 18 1 13 7 13 1 14 23 22 ar 15 34 13 1 16 30 27 1 17 30 12 am 18 51 26 1 19 42 19 1 20 43 19 1 21 26 25 1 22 26 31 1 23 10 21 ar 24 6 33 2 25 27 29 ar 26 18 17 ar 27 25 12 1 28 25 32 1 29 13 14 1 30 13 15 1 31 19 15 1 32 19 9 1 33 36 14 1 34 12 55 1 35 33 31 1 36 33 5 1 37 22 9 1 38 22 24 ar 39 3 32 1 40 3 58 1 41 50 11 1 42 31 56 1 43 31 57 1 44 21 11 1 45 21 8 ar 46 14 35 1 47 14 16 1 48 15 37 1 49 15 38 1 50 17 8 ar 51 17 16 1 52 9 45 1 53 32 4 2 54 29 24 ar 55 29 54 1 56 11 49 1 57 59 5 1 58 24 47 1 59 8 44 1 60 16 39 1 61 16 40 1