@MOLECULE n-(3,5-dichloro-4-{[(2,4-diamino-5,6,7,8-tetrahydro-6-pteridinyl)methyl](methyl)amino}benzoyl)-l-glutamic acid 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4608 -1.3356 -2.5920 Cl 1 UNL1111111111 -0.0381 2 CL -1.0331 -3.7401 2.0324 Cl 1 UNL1111111111 -0.0255 3 O 2.8379 -1.5452 -2.2950 O.2 1 UNL1111111111 -0.4991 4 O 6.6228 -1.3812 0.5787 O.3 1 UNL1111111111 -0.5421 5 OXT 5.0035 -0.9016 2.0448 O.2 1 UNL1111111111 -0.5085 6 OE1 2.6261 3.4217 0.5322 O.3 1 UNL1111111111 -0.5917 7 OE2 4.3626 3.7081 -0.8356 O.2 1 UNL1111111111 -0.4889 8 N -2.2797 0.3030 0.8346 N.pl3 1 UNL1111111111 -0.4794 9 N -3.0336 -2.7866 0.1635 N.pl3 1 UNL1111111111 -0.4093 10 N -4.6888 1.8644 0.6915 N.pl3 1 UNL1111111111 -0.5008 11 N -3.4598 3.8083 0.3033 N.ar 1 UNL1111111111 -0.6272 12 N -1.0367 3.7402 0.0501 N.ar 1 UNL1111111111 -0.6290 13 N 3.1972 -1.2106 -0.0918 N.am 1 UNL1111111111 -0.6113 14 N 0.1729 1.7560 0.2199 N.pl3 1 UNL1111111111 -0.5908 15 N -2.2472 5.7109 -0.3063 N.pl3 1 UNL1111111111 -0.5802 16 C -3.5976 -0.3215 0.5433 C.3 1 UNL1111111111 -0.0172 17 C -3.5641 -1.7694 1.0952 C.3 1 UNL1111111111 -0.1129 18 C -4.6803 0.5172 1.2772 C.3 1 UNL1111111111 -0.0887 19 C -2.2641 1.6941 0.5063 C.ar 1 UNL1111111111 -0.2639 20 C -3.4562 2.4640 0.5204 C.ar 1 UNL1111111111 0.4427 21 C -1.7100 -2.5155 -0.2699 C.ar 1 UNL1111111111 0.1678 22 C -3.9988 -3.2225 -0.8561 C.3 1 UNL1111111111 -0.2615 23 C -1.0568 2.3976 0.2824 C.ar 1 UNL1111111111 0.4478 24 C -1.3163 -1.8867 -1.4613 C.ar 1 UNL1111111111 -0.0945 25 C -0.6668 -2.9098 0.5931 C.ar 1 UNL1111111111 -0.0351 26 C 1.0012 -1.9573 -0.8386 C.ar 1 UNL1111111111 -0.1414 27 CA 4.5543 -0.7325 -0.3537 C.3 1 UNL1111111111 0.0346 28 C 0.0131 -1.6097 -1.7571 C.ar 1 UNL1111111111 -0.0786 29 C 0.6673 -2.6442 0.3286 C.ar 1 UNL1111111111 -0.1333 30 C -2.2468 4.3779 0.0259 C.ar 1 UNL1111111111 0.5732 31 CB 4.5944 0.7717 -0.6865 C.3 1 UNL1111111111 -0.2871 32 C 2.3985 -1.5718 -1.1657 C.2 0 ACE0 0.6001 33 CG 4.1467 1.6578 0.4758 C.3 1 UNL1 -0.3467 34 C 5.3692 -1.0027 0.9031 C.2 1 UNL1 0.6070 35 CD 3.7897 3.0175 -0.0405 C.2 1 UNL1 0.6521 36 H -3.8367 -0.3198 -0.5491 H 1 UNL1 0.1511 37 H -4.5838 -2.0926 1.3989 H 1 UNL1 0.1535 38 H -2.9453 -1.7931 2.0266 H 1 UNL1 0.1783 39 H -4.4550 0.5508 2.3682 H 1 UNL1 0.1529 40 H -5.6841 0.0630 1.1402 H 1 UNL1 0.1454 41 H -1.5314 -0.1879 0.3397 H 1 UNL1 0.2634 42 H -5.4916 2.4545 0.8655 H 1 UNL1 0.3225 43 H -4.5773 -2.4117 -1.3242 H 1 UNL1 0.1414 44 H -3.5018 -3.8136 -1.6430 H 1 UNL1 0.1570 45 H -4.7133 -3.9041 -0.3520 H 1 UNL1 0.1561 46 HA 4.9866 -1.3075 -1.2300 H 1 UNL1 0.2045 47 H 0.2916 -1.1024 -2.6920 H 1 UNL1 0.2055 48 H 1.4456 -2.9805 1.0204 H 1 UNL1 0.1835 49 HB1 3.9497 0.9426 -1.5809 H 1 UNL1 0.1878 50 HB2 5.6155 1.0565 -1.0176 H 1 UNL1 0.1699 51 H 2.8516 -1.1371 0.8539 H 1 UNL1 0.3289 52 H 0.9920 2.3464 0.1755 H 1 UNL1 0.3200 53 H 0.2960 0.9340 0.7749 H 1 UNL1 0.2900 54 HG1 4.9479 1.7535 1.2430 H 1 UNL1 0.1846 55 HG2 3.2883 1.2060 1.0221 H 1 UNL1 0.1875 56 H -1.3760 6.1947 -0.3835 H 1 UNL1 0.3177 57 H -3.0864 6.2415 -0.1854 H 1 UNL1 0.3192 58 H 7.2033 -1.5734 1.3591 H 1 UNL1 0.3614 59 HE1 2.2645 4.2843 0.2049 H 1 UNL1 0.3756 @BOND 1 1 24 1 2 2 25 1 3 3 32 2 4 4 34 1 5 4 58 1 6 5 34 2 7 6 35 1 8 6 59 1 9 7 35 2 10 8 16 1 11 8 19 1 12 8 41 1 13 9 17 1 14 9 21 1 15 9 22 1 16 10 18 1 17 10 20 1 18 10 42 1 19 11 20 ar 20 11 30 ar 21 12 23 ar 22 12 30 ar 23 13 27 1 24 13 32 am 25 13 51 1 26 14 23 1 27 14 52 1 28 14 53 1 29 15 30 1 30 15 56 1 31 15 57 1 32 16 17 1 33 16 18 1 34 16 36 1 35 17 37 1 36 17 38 1 37 18 39 1 38 18 40 1 39 19 20 ar 40 19 23 ar 41 21 24 ar 42 21 25 ar 43 22 43 1 44 22 44 1 45 22 45 1 46 24 28 ar 47 25 29 ar 48 26 28 ar 49 26 29 ar 50 26 32 1 51 27 31 1 52 27 34 1 53 27 46 1 54 28 47 1 55 29 48 1 56 31 33 1 57 31 49 1 58 31 50 1 59 33 35 1 60 33 54 1 61 33 55 1