@MOLECULE 2-{[(3r,4r)-3-aminotetrahydro-2h-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]-5-pyrimidinecarboxamide 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4171 4.5826 -0.0591 C.3 1 UNL1111111111 -0.4555 2 C -3.8618 3.1993 -0.0377 C.ar 1 UNL1111111111 0.0221 3 C -4.4188 2.2145 -0.8603 C.ar 1 UNL1111111111 -0.1583 4 C -3.9194 0.9189 -0.8454 C.ar 1 UNL1111111111 -0.1898 5 C -2.8482 0.6012 0.0058 C.ar 1 UNL1111111111 0.1713 6 N -2.4181 -0.7532 0.0163 N.pl3 1 UNL1111111111 -0.4475 7 C -1.1360 -1.1828 0.1553 C.ar 1 UNL1111111111 0.5213 8 N -0.1455 -0.2534 0.3071 N.ar 1 UNL1111111111 -0.6376 9 C 1.1383 -0.7019 0.3947 C.ar 1 UNL1111111111 0.5620 10 N 2.0875 0.2502 0.6231 N.pl3 1 UNL1111111111 -0.4886 11 C 3.5225 -0.0526 0.5473 C.3 1 UNL1111111111 0.0363 12 C 4.2888 0.9057 1.4747 C.3 1 UNL1111111111 -0.3490 13 C 4.3397 2.3231 0.8975 C.3 1 UNL1111111111 -0.0394 14 O 4.8593 2.3230 -0.4170 O.3 1 UNL1111111111 -0.3850 15 C 4.0862 1.5724 -1.3317 C.3 1 UNL1111111111 -0.0535 16 C 4.0763 0.0887 -0.9127 C.3 1 UNL1111111111 -0.0259 17 N 3.3282 -0.6783 -1.9187 N.3 1 UNL1111111111 -0.6244 18 N 1.5209 -2.0317 0.2846 N.ar 1 UNL1111111111 -0.5812 19 C 0.5382 -2.9260 0.1684 C.ar 1 UNL1111111111 0.2311 20 C -0.8230 -2.5895 0.1272 C.ar 1 UNL1111111111 -0.5046 21 C -1.8886 -3.5817 0.0221 C.2 1 UNL1111111111 0.6646 22 N -1.6142 -4.9037 0.3152 N.am 1 UNL1111111111 -0.6773 23 O -3.0368 -3.3048 -0.3131 O.2 1 UNL1111111111 -0.6007 24 C -2.2905 1.5776 0.8369 C.ar 1 UNL1111111111 -0.1512 25 C -2.7991 2.8729 0.8065 C.ar 1 UNL1111111111 -0.1602 26 H -4.5874 4.9392 -1.0849 H 1 UNL1111111111 0.1573 27 H -5.3843 4.6259 0.4645 H 1 UNL1111111111 0.1599 28 H -3.7559 5.3125 0.4263 H 1 UNL1111111111 0.1531 29 H -5.2484 2.4655 -1.5187 H 1 UNL1111111111 0.1532 30 H -4.3522 0.1580 -1.4931 H 1 UNL1111111111 0.1651 31 H -3.1316 -1.4799 -0.2008 H 1 UNL1111111111 0.3710 32 H 1.8048 1.2252 0.6108 H 1 UNL1111111111 0.3304 33 H 3.6810 -1.1142 0.8876 H 1 UNL1111111111 0.1741 34 H 3.8353 0.9139 2.4844 H 1 UNL1111111111 0.1616 35 H 5.3202 0.5223 1.6097 H 1 UNL1111111111 0.1631 36 H 3.3537 2.8185 0.9078 H 1 UNL1111111111 0.1163 37 H 5.0667 2.9611 1.4357 H 1 UNL1111111111 0.1431 38 H 3.0738 1.9964 -1.4239 H 1 UNL1111111111 0.1240 39 H 4.6280 1.7175 -2.2864 H 1 UNL1111111111 0.1595 40 H 5.1342 -0.2864 -0.9058 H 1 UNL1111111111 0.1594 41 H 3.3993 -1.6741 -1.7513 H 1 UNL1111111111 0.2613 42 H 2.3455 -0.4469 -1.9024 H 1 UNL1111111111 0.2504 43 H 0.8781 -3.9699 0.0850 H 1 UNL1111111111 0.1677 44 H -0.7381 -5.2168 0.6594 H 1 UNL1111111111 0.3006 45 H -2.3498 -5.5806 0.2481 H 1 UNL1111111111 0.3173 46 H -1.4617 1.3307 1.5017 H 1 UNL1111111111 0.1813 47 H -2.3621 3.6328 1.4511 H 1 UNL1111111111 0.1512 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 25 ar 6 3 2 ar 7 3 4 ar 8 3 29 1 9 4 5 ar 10 4 30 1 11 5 6 1 12 5 24 ar 13 6 7 1 14 6 31 1 15 7 20 ar 16 7 8 ar 17 8 9 ar 18 9 18 ar 19 9 10 1 20 10 11 1 21 10 32 1 22 11 16 1 23 11 12 1 24 11 33 1 25 12 34 1 26 12 35 1 27 13 12 1 28 13 14 1 29 13 36 1 30 13 37 1 31 15 14 1 32 15 38 1 33 15 39 1 34 16 15 1 35 16 17 1 36 16 40 1 37 17 41 1 38 17 42 1 39 19 18 ar 40 19 43 1 41 20 19 ar 42 21 20 1 43 21 22 am 44 22 44 1 45 22 45 1 46 23 21 2 47 24 46 1 48 25 24 ar 49 25 47 1