@MOLECULE n~2~-(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)-l-lysine 60 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8049 -3.6968 1.1807 O.3 1 LYS1111111111 -0.5592 2 OXT -3.0573 -3.3752 -0.1745 O.2 1 LYS1111111111 -0.5000 3 O -2.9091 -0.4972 2.5873 O.2 0 UNK0 -0.5299 4 N -3.2654 -0.6002 0.3584 N.am 1 LYS1 -0.6069 5 N 1.9257 3.2488 0.8225 N.pl3 0 UNK0 -0.3933 6 NZ -8.4366 2.0301 -2.8811 N.3 1 LYS1 -0.6515 7 N 3.7347 0.5412 0.7307 N.ar 0 UNK0 -0.2526 8 N 5.3901 1.2764 -1.4414 N.ar 0 UNK0 -0.3360 9 N 5.9027 -1.0015 -1.8163 N.ar 0 UNK0 -0.5452 10 N 4.8698 -2.7468 -0.4270 N.ar 0 UNK0 -0.6279 11 N 3.3988 -2.2279 1.2900 N.pl3 0 UNK0 -0.5247 12 N 6.3397 -3.2617 -2.1637 N.pl3 0 UNK0 -0.5493 13 CB -5.4680 -1.2266 -0.5803 C.3 1 LYS1 -0.2945 14 CG -6.0199 0.2034 -0.5505 C.3 1 LYS1 -0.2584 15 CA -4.4279 -1.4579 0.5320 C.3 1 LYS1 0.0353 16 CD -7.0065 0.4128 -1.7044 C.3 1 LYS1 -0.2844 17 CE -7.5196 1.8639 -1.7295 C.3 1 LYS1 -0.1043 18 C -3.9782 -2.9166 0.4440 C.2 1 LYS1 0.5966 19 C -2.5385 -0.1894 1.4723 C.2 0 UNK0 0.6045 20 C -1.3509 0.6470 1.2064 C.ar 0 UNK0 -0.2227 21 C 0.8909 2.3041 0.8806 C.ar 0 UNK0 0.2711 22 C 3.2629 2.8512 1.2820 C.3 0 UNK0 -0.0742 23 C -1.3238 1.5939 0.1854 C.ar 0 UNK0 -0.0451 24 C -0.2473 0.5144 2.0552 C.ar 0 UNK0 -0.0202 25 C -0.2133 2.4050 0.0091 C.ar 0 UNK0 -0.2971 26 C 0.8642 1.3250 1.8983 C.ar 0 UNK0 -0.2693 27 C 3.9230 1.8101 0.4105 C.ar 0 UNK0 -0.0314 28 C 1.9675 4.1277 -0.3573 C.3 0 UNK0 -0.2608 29 C 4.7523 2.1682 -0.7112 C.ar 0 UNK0 0.0559 30 C 4.3677 -0.3981 -0.0115 C.ar 0 UNK0 -0.2270 31 C 5.2384 -0.0614 -1.1076 C.ar 0 UNK0 0.3826 32 C 4.2074 -1.8105 0.2852 C.ar 0 UNK0 0.4874 33 C 5.6891 -2.3039 -1.4471 C.ar 0 UNK0 0.5797 34 HB1 -6.2997 -1.9490 -0.4466 H 1 LYS1 0.1588 35 HB2 -5.0305 -1.4460 -1.5751 H 1 LYS1 0.1537 36 HG1 -6.5157 0.3987 0.4208 H 1 LYS1 0.1433 37 HG2 -5.1921 0.9359 -0.6172 H 1 LYS1 0.1491 38 HA -4.8880 -1.2715 1.5491 H 1 LYS1 0.2058 39 HD1 -7.8558 -0.2890 -1.6205 H 1 LYS1 0.1378 40 HD2 -6.5268 0.1817 -2.6774 H 1 LYS1 0.1570 41 H -2.8838 -0.5223 -0.5733 H 1 LYS1 0.3214 42 HE1 -7.9913 2.1241 -0.7591 H 1 LYS1 0.1077 43 HE2 -6.6672 2.5644 -1.8735 H 1 LYS1 0.1403 44 H 3.9030 3.7624 1.3523 H 0 UNK0 0.1570 45 H 3.1792 2.4740 2.3344 H 0 UNK0 0.1757 46 H -2.1787 1.7199 -0.4809 H 0 UNK0 0.1500 47 H -0.2771 -0.2301 2.8546 H 0 UNK0 0.1653 48 H -0.2165 3.1174 -0.8109 H 0 UNK0 0.1614 49 H 1.7207 1.2006 2.5651 H 0 UNK0 0.1713 50 HZ1 -9.2322 1.4176 -2.8212 H 1 LYS1 0.2463 51 HZ2 -8.7606 2.9786 -2.9670 H 1 LYS1 0.2475 52 H 2.8092 4.8352 -0.2792 H 0 UNK0 0.1494 53 H 1.0414 4.7334 -0.3751 H 0 UNK0 0.1580 54 H 2.0611 3.5770 -1.3090 H 0 UNK0 0.1409 55 H -4.5666 -4.6553 1.1789 H 1 LYS1 0.3552 56 H 4.8765 3.2221 -0.9940 H 0 UNK0 0.1842 57 H 3.2408 -3.2066 1.4407 H 0 UNK0 0.3253 58 H 2.8323 -1.5571 1.7804 H 0 UNK0 0.3343 59 H 6.2306 -4.2287 -1.9332 H 0 UNK0 0.3255 60 H 6.9418 -2.9960 -2.9203 H 0 UNK0 0.3302 @BOND 1 1 18 1 2 1 55 1 3 2 18 2 4 3 19 2 5 4 15 1 6 4 19 am 7 4 41 1 8 5 21 1 9 5 22 1 10 5 28 1 11 6 17 1 12 6 50 1 13 6 51 1 14 7 27 ar 15 7 30 ar 16 8 29 ar 17 8 31 ar 18 9 31 ar 19 9 33 ar 20 10 32 ar 21 10 33 ar 22 11 32 1 23 11 57 1 24 11 58 1 25 12 33 1 26 12 59 1 27 12 60 1 28 13 14 1 29 13 15 1 30 13 34 1 31 13 35 1 32 14 16 1 33 14 36 1 34 14 37 1 35 15 18 1 36 15 38 1 37 16 17 1 38 16 39 1 39 16 40 1 40 17 42 1 41 17 43 1 42 19 20 1 43 20 23 ar 44 20 24 ar 45 21 25 ar 46 21 26 ar 47 22 27 1 48 22 44 1 49 22 45 1 50 23 25 ar 51 23 46 1 52 24 26 ar 53 24 47 1 54 25 48 1 55 26 49 1 56 27 29 ar 57 28 52 1 58 28 53 1 59 28 54 1 60 29 56 1 61 30 31 ar 62 30 32 ar