@MOLECULE (2s)-2-[(4-{[(2,4-diamino-6-pteridinyl)methyl](methyl)amino}benzoyl)amino]-5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopentanoic acid 65 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2207 2.5379 1.3707 O.3 1 UNK11 -0.0734 2 O -4.9652 0.1858 -2.5669 O.3 1 UNK11 -0.5305 3 O -1.3135 0.1826 2.5481 O.2 1 UNK11 -0.4239 4 O -0.0717 3.7642 -0.0141 O.2 1 UNK11 -0.4014 5 O -2.1119 1.5440 -0.6579 O.2 1 UNK11 -0.4863 6 O -4.2027 -2.3201 1.1138 O.2 0 UNK0 -0.5341 7 O -6.8715 0.7975 -1.5883 O.2 1 UNK1 -0.5147 8 N -3.7981 -0.7108 -0.4167 N.am 1 UNK1 -0.6086 9 N -0.8858 2.2133 1.5103 N.am 1 UNK1 -0.4236 10 N 1.9276 -3.7242 0.1049 N.pl3 0 UNK0 -0.3886 11 N 3.7999 -1.4090 -0.1717 N.ar 0 UNK0 -0.2733 12 N 3.2912 -0.0309 -2.5936 N.ar 0 UNK0 -0.3189 13 N 4.1964 1.9365 -1.6623 N.ar 0 UNK0 -0.5338 14 N 5.1026 1.9330 0.6218 N.ar 0 UNK0 -0.6291 15 N 5.0529 0.0309 1.9504 N.pl3 0 UNK0 -0.5433 16 N 5.0891 3.8564 -0.6964 N.pl3 0 UNK0 -0.5403 17 C -5.1001 -0.1067 -0.1935 C.3 1 UNK1 0.0315 18 C -5.0260 1.1121 0.7598 C.3 1 UNK1 -0.2866 19 C -4.2576 2.3154 0.2054 C.3 1 UNK1 -0.3493 20 C 0.8645 0.6181 1.5078 C.3 1 UNK1 -0.3560 21 C 1.2685 1.8047 0.6158 C.3 1 UNK1 -0.3581 22 C -0.5644 0.8844 1.9339 C.2 1 UNK1 0.5834 23 C 0.0756 2.7395 0.5814 C.2 1 UNK1 0.5878 24 C 0.6793 -3.0867 0.1693 C.ar 0 UNK0 0.2631 25 C -2.7842 2.0609 0.1964 C.2 1 UNK1 0.5127 26 C -1.9812 -2.1855 0.2629 C.ar 0 UNK0 -0.2269 27 C -3.4009 -1.7825 0.3748 C.2 0 UNK0 0.6141 28 C -5.7638 0.3381 -1.4884 C.2 1 UNK1 0.6051 29 C 2.7944 -3.4510 -1.0487 C.3 0 UNK0 -0.0760 30 C 0.0174 -2.9239 1.4053 C.ar 0 UNK0 -0.3131 31 C -0.0001 -2.7196 -1.0131 C.ar 0 UNK0 -0.3038 32 C -1.3038 -2.5016 1.4441 C.ar 0 UNK0 0.0043 33 C -1.3166 -2.2845 -0.9590 C.ar 0 UNK0 -0.0258 34 C 3.2100 -2.0056 -1.1910 C.ar 0 UNK0 -0.0115 35 C 2.6713 -3.8847 1.3655 C.3 0 UNK0 -0.2442 36 C 2.9681 -1.2938 -2.4263 C.ar 0 UNK0 0.0571 37 C 4.1354 -0.0985 -0.3133 C.ar 0 UNK0 -0.2388 38 C 3.8845 0.6292 -1.5264 C.ar 0 UNK0 0.3720 39 C 4.7809 0.6303 0.7622 C.ar 0 UNK0 0.4821 40 C 4.7870 2.5359 -0.5826 C.ar 0 UNK0 0.5707 41 H -5.7867 -0.8838 0.2784 H 1 UNK1 0.2095 42 H -6.0637 1.4215 1.0095 H 1 UNK1 0.1723 43 H -4.5783 0.7801 1.7235 H 1 UNK1 0.1811 44 H -4.5896 2.5593 -0.8327 H 1 UNK1 0.1912 45 H -4.4962 3.2206 0.8080 H 1 UNK1 0.1836 46 H -3.1380 -0.1815 -0.9759 H 1 UNK1 0.3429 47 H 1.5255 0.5039 2.3857 H 1 UNK1 0.1844 48 H 0.9155 -0.3518 0.9668 H 1 UNK1 0.1947 49 H 1.5187 1.4906 -0.4202 H 1 UNK1 0.1951 50 H 2.1667 2.3295 0.9925 H 1 UNK1 0.1864 51 H 2.2721 -3.8072 -1.9702 H 0 UNK0 0.1621 52 H 3.7111 -4.0901 -0.9649 H 0 UNK0 0.1673 53 H 0.5185 -3.1485 2.3418 H 0 UNK0 0.1623 54 H 0.4879 -2.7979 -1.9783 H 0 UNK0 0.1571 55 H -1.8245 -2.4072 2.4041 H 0 UNK0 0.1758 56 H -1.8375 -2.0295 -1.8865 H 0 UNK0 0.1620 57 H 3.6389 -4.3832 1.1807 H 0 UNK0 0.1476 58 H 2.0938 -4.5417 2.0416 H 0 UNK0 0.1541 59 H 2.8780 -2.9252 1.8693 H 0 UNK0 0.1393 60 H 2.5034 -1.8015 -3.2845 H 0 UNK0 0.1929 61 H -5.3883 0.4725 -3.4163 H 1 UNK1 0.3531 62 H 5.5600 0.5149 2.6662 H 0 UNK0 0.3258 63 H 4.8568 -0.9483 2.0624 H 0 UNK0 0.3289 64 H 5.5387 4.3388 0.0558 H 0 UNK0 0.3253 65 H 4.8696 4.3504 -1.5428 H 0 UNK0 0.3350 @BOND 1 1 9 1 2 1 25 1 3 2 28 1 4 2 61 1 5 3 22 2 6 4 23 2 7 5 25 2 8 6 27 2 9 7 28 2 10 8 17 1 11 8 27 am 12 8 46 1 13 9 22 am 14 9 23 am 15 10 24 1 16 10 29 1 17 10 35 1 18 11 34 ar 19 11 37 ar 20 12 36 ar 21 12 38 ar 22 13 38 ar 23 13 40 ar 24 14 39 ar 25 14 40 ar 26 15 39 1 27 15 62 1 28 15 63 1 29 16 40 1 30 16 64 1 31 16 65 1 32 17 18 1 33 17 28 1 34 17 41 1 35 18 19 1 36 18 42 1 37 18 43 1 38 19 25 1 39 19 44 1 40 19 45 1 41 20 21 1 42 20 22 1 43 20 47 1 44 20 48 1 45 21 23 1 46 21 49 1 47 21 50 1 48 24 30 ar 49 24 31 ar 50 26 27 1 51 26 32 ar 52 26 33 ar 53 29 34 1 54 29 51 1 55 29 52 1 56 30 32 ar 57 30 53 1 58 31 33 ar 59 31 54 1 60 32 55 1 61 33 56 1 62 34 36 ar 63 35 57 1 64 35 58 1 65 35 59 1 66 36 60 1 67 37 38 ar 68 37 39 ar