@MOLECULE n-[4-({[(6s)-2-amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinyl]methyl}amino)benzoyl]-l-gamma-glutamyl-l-gamma-glutamyl-l-glutamic acid 50 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.6908 -1.6179 2.4240 O.2 0 UNK0 0.0722 2 O 7.3001 2.0479 2.7844 O.2 0 UNK0 -0.2857 3 O 0.6923 0.7382 0.8468 O.2 1 UNK1 -0.3634 4 O 6.2905 -2.2763 3.7907 O.co2 1 UNK1 -0.0028 5 O 5.6645 0.5213 -2.6829 O.2 1 UNL1 -0.2660 6 O 4.1545 -2.7386 3.2993 O.co2 1 UNK1 -0.3968 7 O 2.1977 4.9218 -2.2463 O.2 0 UNK0 -0.3376 8 O 4.2096 -0.0829 -0.9575 O.2 1 UNL1 -0.4055 9 O -0.7311 -4.7049 0.3580 O.2 2 UNL2 -0.3248 10 O 1.3063 -5.8153 0.6321 O.2 2 UNL2 -0.3187 11 O 4.5866 -2.5158 -4.3748 O.2 3 UNL3 -0.3707 12 O 3.7338 -4.2967 -5.6267 O.2 3 UNL3 -0.3132 13 N -6.0480 0.3511 0.6171 N.ar 0 UNK0 -0.2137 14 N -8.0124 1.1066 -1.2979 N.ar 0 UNK0 -0.3114 15 N -3.6204 2.6371 -0.2783 N.pl3 0 UNK0 -0.2129 16 N -9.5291 -0.4287 -0.2971 N.ar 0 UNK0 -0.3275 17 N 6.0325 0.1934 2.9198 N.am 1 UNK1 -0.4120 18 N -8.8062 -1.8107 1.6224 N.ar 0 UNK0 -0.4056 19 N 2.6919 4.2126 -0.1441 N.am 0 UNK0 -0.2992 20 N 1.3483 -1.1486 -0.1903 N.am 1 UNK1 -0.5502 21 N -10.9710 -1.9475 0.7517 N.pl3 0 UNK0 -0.0933 22 C -5.7846 1.3308 -0.3437 C.ar 0 UNK0 -0.1349 23 C -6.8638 1.5890 -1.2340 C.ar 0 UNK0 0.2011 24 C -4.5825 1.9487 -0.3665 C.3 0 UNK0 0.4042 25 C -7.2290 -0.2079 0.6129 C.ar 0 UNK0 -0.0283 26 C -8.3483 0.1204 -0.3360 C.ar 0 UNK0 0.3003 27 C -7.6079 -1.2553 1.5840 C.ar 0 UNK0 0.2387 28 C 5.0230 -0.5609 2.7514 C.2 1 UNK1 0.2251 29 C -2.3255 2.9491 -0.5406 C.ar 0 UNK0 0.2127 30 C 3.7848 -0.3573 2.0906 C.1 1 UNK1 -0.0024 31 C 4.4779 2.8355 0.9893 C.1 0 UNK0 0.0126 32 C 3.5565 3.5020 0.2939 C.1 0 UNK0 0.1522 33 C 2.7269 -0.2499 1.5080 C.1 1 UNK1 -0.1164 34 C 5.2838 2.1864 1.6498 C.3 0 UNK0 -0.1671 35 C -9.7802 -1.4029 0.6959 C.ar 0 UNK0 0.3158 36 C 1.7394 -1.8412 -1.0904 C.1 1 UNK1 0.6422 37 C 6.2574 1.5397 2.4594 C.2 0 UNK0 0.5698 38 C -1.2591 2.7628 0.3501 C.ar 0 UNK0 0.0104 39 C -1.8280 3.6084 -1.6626 C.ar 0 UNK0 -0.0990 40 C 1.5188 -0.1272 0.7546 C.2 1 UNK1 0.7151 41 C 0.4750 3.8507 -1.0084 C.ar 0 UNK0 -0.1828 42 C 2.0731 -2.5971 -2.0861 C.1 1 UNK1 -0.7941 43 C 0.0170 3.1827 0.1199 C.ar 0 UNK0 0.1513 44 C -0.6106 3.9930 -1.8526 C.ar 0 UNK0 0.0752 45 C 1.8308 4.3473 -1.2593 C.2 0 UNK0 0.5971 46 C 5.1049 -1.9959 3.3269 C.2 1 UNK1 0.4409 47 C 4.9405 0.2067 -1.8288 C.1 1 UNL1 0.6709 48 C 2.4541 -3.3003 -3.0758 C.3 1 UNK1 0.4055 49 C 0.2854 -5.2642 0.4980 C.1 2 UNL2 0.6435 50 C 4.1411 -3.4121 -4.9837 C.1 3 UNL3 0.6790 @BOND 1 12 50 2 2 50 11 2 3 48 42 1 4 5 47 2 5 7 45 2 6 42 36 3 7 44 39 ar 8 44 41 ar 9 47 8 2 10 39 29 ar 11 14 23 ar 12 14 26 ar 13 45 41 1 14 45 19 am 15 23 22 ar 16 36 20 1 17 41 43 ar 18 29 15 1 19 29 38 ar 20 24 22 1 21 24 15 1 22 22 13 ar 23 26 16 ar 24 26 25 ar 25 16 35 ar 26 20 40 am 27 19 32 1 28 43 38 ar 29 32 31 3 30 9 49 2 31 49 10 2 32 25 13 ar 33 25 27 ar 34 35 21 1 35 35 18 ar 36 40 3 2 37 40 33 1 38 31 34 1 39 33 30 3 40 27 18 ar 41 27 1 2 42 34 37 1 43 30 28 1 44 37 2 2 45 37 17 1 46 28 17 2 47 28 46 1 48 6 46 ar 49 46 4 ar