@MOLECULE methyl 1-(4-((2,4-diaminopteridin-6-ylmethyl)methylamino)benzoyl)piperidine-4-carboxylate 59 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1269 -2.1236 -0.4166 O.2 1 UNL1111111111 -0.5571 2 C -1.5604 -1.0726 -0.8560 C.2 1 UNL1111111111 0.5974 3 N -2.7857 -1.0419 -1.5109 N.am 1 UNL1111111111 -0.4710 4 C -3.4680 0.2339 -1.7620 C.3 1 UNL1111111111 -0.0718 5 C -4.3949 0.6129 -0.5920 C.3 1 UNL1111111111 -0.3075 6 C -3.7155 -2.1591 -1.2832 C.3 1 UNL1111111111 -0.0684 7 C -4.6574 -1.8605 -0.1020 C.3 1 UNL1111111111 -0.3082 8 C -5.3882 -0.5287 -0.3229 C.3 1 UNL1111111111 -0.1743 9 C -6.1577 -0.1817 0.9284 C.2 1 UNL1111111111 0.5800 10 O -5.8284 -0.3539 2.0715 O.2 1 UNL1111111111 -0.4961 11 O -7.3336 0.4050 0.5874 O.3 1 UNL1111111111 -0.4177 12 C -8.1643 0.8196 1.6673 C.3 1 UNL1111111111 -0.1684 13 C -0.7629 0.1782 -0.7879 C.ar 1 UNL1111111111 -0.2086 14 C -0.8128 0.9439 0.3802 C.ar 1 UNL1111111111 -0.0918 15 C 0.0390 2.0249 0.5304 C.ar 1 UNL1111111111 -0.2017 16 C 0.9733 2.3339 -0.4816 C.ar 1 UNL1111111111 0.2453 17 C 0.9536 1.6104 -1.6848 C.ar 1 UNL1111111111 -0.2570 18 C 0.0899 0.5290 -1.8295 C.ar 1 UNL1111111111 -0.0643 19 N 1.8798 3.4014 -0.2214 N.pl3 1 UNL1111111111 -0.4033 20 C 2.6564 3.8822 -1.3783 C.3 1 UNL1111111111 -0.2700 21 C 2.7455 3.1434 0.9563 C.3 1 UNL1111111111 -0.0734 22 C 3.5544 1.8739 0.8352 C.ar 1 UNL1111111111 -0.0476 23 N 2.8854 0.7310 0.8065 N.ar 1 UNL1111111111 -0.2518 24 C 3.5771 -0.4124 0.6105 C.ar 1 UNL1111111111 -0.2247 25 C 5.0103 -0.4218 0.4750 C.ar 1 UNL1111111111 0.3813 26 N 5.6937 0.7829 0.5499 N.ar 1 UNL1111111111 -0.3427 27 C 4.9874 1.8838 0.7170 C.ar 1 UNL1111111111 0.0531 28 C 2.8862 -1.6908 0.4784 C.ar 1 UNL1111111111 0.4844 29 N 1.5444 -1.7678 0.5762 N.pl3 1 UNL1111111111 -0.4963 30 N 3.5929 -2.8256 0.2606 N.ar 1 UNL1111111111 -0.6277 31 C 4.9636 -2.7126 0.1854 C.ar 1 UNL1111111111 0.5826 32 N 5.7054 -1.5614 0.2697 N.ar 1 UNL1111111111 -0.5544 33 N 5.6562 -3.8713 -0.0056 N.pl3 1 UNL1111111111 -0.5580 34 H -4.0548 0.1320 -2.7040 H 1 UNL1111111111 0.1464 35 H -2.7221 1.0404 -1.9443 H 1 UNL1111111111 0.1588 36 H -4.9339 1.5507 -0.8240 H 1 UNL1111111111 0.1546 37 H -3.7927 0.8210 0.3152 H 1 UNL1111111111 0.1619 38 H -4.2934 -2.3290 -2.2179 H 1 UNL1111111111 0.1402 39 H -3.1339 -3.0923 -1.0880 H 1 UNL1111111111 0.1734 40 H -4.0749 -1.8263 0.8437 H 1 UNL1111111111 0.1761 41 H -5.3803 -2.6864 0.0255 H 1 UNL1111111111 0.1516 42 H -6.0889 -0.6236 -1.1908 H 1 UNL1111111111 0.1710 43 H -8.4414 -0.0423 2.2843 H 1 UNL1111111111 0.1422 44 H -7.6459 1.5702 2.2736 H 1 UNL1111111111 0.1401 45 H -9.0367 1.2466 1.1597 H 1 UNL1111111111 0.1463 46 H -1.5068 0.6799 1.1795 H 1 UNL1111111111 0.1604 47 H 0.0087 2.6253 1.4376 H 1 UNL1111111111 0.1686 48 H 1.6394 1.8517 -2.4920 H 1 UNL1111111111 0.1640 49 H 0.1052 -0.0597 -2.7487 H 1 UNL1111111111 0.1620 50 H 1.9692 4.1325 -2.2046 H 1 UNL1111111111 0.1515 51 H 3.1700 4.8183 -1.0968 H 1 UNL1111111111 0.1512 52 H 3.4102 3.1671 -1.7446 H 1 UNL1111111111 0.1368 53 H 3.4044 4.0264 1.1101 H 1 UNL1111111111 0.1521 54 H 2.0894 3.0878 1.8608 H 1 UNL1111111111 0.1696 55 H 5.5482 2.8262 0.7669 H 1 UNL1111111111 0.1826 56 H 1.0301 -2.6103 0.3653 H 1 UNL1111111111 0.3433 57 H 1.0003 -0.9184 0.6499 H 1 UNL1111111111 0.3336 58 H 6.6540 -3.8502 -0.0826 H 1 UNL1111111111 0.3271 59 H 5.1702 -4.7412 -0.0895 H 1 UNL1111111111 0.3244 @BOND 1 1 2 2 2 2 3 am 3 2 13 1 4 3 4 1 5 3 6 1 6 4 5 1 7 4 34 1 8 4 35 1 9 5 8 1 10 5 36 1 11 5 37 1 12 6 7 1 13 6 38 1 14 6 39 1 15 7 8 1 16 7 40 1 17 7 41 1 18 8 9 1 19 8 42 1 20 9 10 2 21 9 11 1 22 11 12 1 23 12 43 1 24 12 44 1 25 12 45 1 26 13 14 ar 27 13 18 ar 28 14 15 ar 29 14 46 1 30 15 16 ar 31 15 47 1 32 16 17 ar 33 16 19 1 34 17 18 ar 35 17 48 1 36 18 49 1 37 19 20 1 38 19 21 1 39 20 50 1 40 20 51 1 41 20 52 1 42 21 22 1 43 21 53 1 44 21 54 1 45 22 23 ar 46 22 27 ar 47 23 24 ar 48 24 25 ar 49 24 28 ar 50 25 26 ar 51 25 32 ar 52 26 27 ar 53 27 55 1 54 28 29 1 55 28 30 ar 56 29 56 1 57 29 57 1 58 30 31 ar 59 31 32 ar 60 31 33 1 61 33 58 1 62 33 59 1