@MOLECULE n-(4-{[(2-amino-4a-hydroxy-5-methyl-4-oxo-1,4,4a,5,6,7-hexahydro-6-pteridinyl)methyl]amino}benzoyl)-l-glutamic acid 34 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.2736 1.1652 1.6574 O.2 1 UNL1 -0.2862 2 O -6.4081 1.7374 -1.0538 O.2 1 UNL1 -0.4435 3 O 4.4962 -2.8164 -0.7838 O.2 1 UNL1 -0.3783 4 O 6.8870 -3.6172 2.2751 O.2 1 UNL1 -0.2991 5 O 5.6540 -1.8091 1.4540 O.2 1 UNL1 -0.3734 6 O 7.7725 5.0282 0.2769 O.2 2 UNL2 -0.3364 7 O 9.6362 3.9054 1.1280 O.2 2 UNL2 -0.3253 8 N -4.8129 0.3313 -0.4749 N.am 1 UNL1 -0.5782 9 N -5.2018 -2.8649 0.7843 N.pl3 1 UNL1 -0.2041 10 N -1.8049 -1.1276 -1.5533 N.pl3 1 UNL1 -0.2450 11 N -7.2520 -3.2564 2.1710 N.1 1 UNL1 -0.2171 12 N -6.6456 3.0160 0.9174 N.2 1 UNL1 -0.2697 13 N -8.6077 4.4528 0.2984 N.1 1 UNL1 -0.1912 14 N 4.7167 -0.5805 -1.0397 N.am 1 UNL1 -0.5718 15 C -4.0609 -0.8675 -0.4187 C.3 1 UNL1 -0.0241 16 C -4.9269 1.1956 0.6646 C.2 1 UNL1 0.4991 17 C -4.6039 -1.9989 0.1931 C.3 1 UNL1 0.0825 18 C -2.8160 -0.9448 -0.9334 C.3 1 UNL1 0.3810 19 C -6.3217 -3.0089 1.5217 C.1 1 UNL1 0.2279 20 C -5.7084 0.6696 -1.5104 C.3 1 UNL1 0.5633 21 C -6.0664 2.1171 0.2390 C.2 1 UNL1 0.2991 22 C -7.7018 3.7582 0.5064 C.1 1 UNL1 0.2266 23 C -0.4429 -1.2356 -1.4430 C.ar 1 UNL1 0.2456 24 C 0.5323 -0.2605 -1.6745 C.ar 1 UNL1 -0.0749 25 C 0.2571 -2.4102 -1.1368 C.ar 1 UNL1 -0.0766 26 C 2.5252 -1.5615 -1.2062 C.ar 1 UNL1 -0.0972 27 C 1.8244 -0.4135 -1.5646 C.ar 1 UNL1 0.0844 28 C 1.5503 -2.5429 -1.0350 C.ar 1 UNL1 0.0805 29 C 5.6990 0.0643 -0.7610 C.1 1 UNL1 0.6631 30 C 6.6506 0.9157 -0.5583 C.1 1 UNL1 -0.8089 31 C 3.9662 -1.7583 -0.9885 C.2 1 UNL1 0.6886 32 C 7.5478 1.7957 -0.3366 C.3 1 UNL1 0.4260 33 C 6.2685 -2.7182 1.8628 C.1 1 UNL1 0.6725 34 C 8.6997 4.4520 0.6943 C.1 2 UNL2 0.6606 @BOND 1 24 27 ar 2 24 23 ar 3 27 26 ar 4 10 23 1 5 10 18 1 6 20 2 1 7 20 8 1 8 23 25 ar 9 26 28 ar 10 26 31 1 11 25 28 ar 12 2 21 1 13 14 31 am 14 14 29 1 15 31 3 2 16 18 15 1 17 29 30 3 18 30 32 1 19 8 15 1 20 8 16 am 21 15 17 1 22 17 9 1 23 21 16 1 24 21 12 2 25 6 34 2 26 13 22 3 27 22 12 1 28 16 1 2 29 34 7 2 30 9 19 1 31 5 33 2 32 19 11 3 33 33 4 2