@MOLECULE n-[3-(2,6-dichloro-4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-n'-(tetrahydro-2h-pyran-4-yl)-1,2-ethanediamine 58 61 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -3.0096 -2.6626 -1.0113 Cl 1 UNL1 -0.0717 2 CL -3.6260 2.0523 1.4049 Cl 1 UNL1 -0.0433 3 O 9.1273 -1.2565 0.1755 O.3 1 UNL1 -0.3849 4 O -7.4922 -0.2333 -0.6877 O.3 1 UNL1 -0.3049 5 N 5.5691 0.7722 -0.7431 N.3 1 UNL1 -0.5818 6 N 2.4021 0.6649 1.2296 N.pl3 1 UNL1 -0.5045 7 N 0.1289 0.3111 0.6954 N.ar 1 UNL1 -0.2232 8 N -0.0051 -0.8190 1.4660 N.ar 1 UNL1 -0.3428 9 N -1.1785 1.7750 -0.7188 N.ar 1 UNL1 -0.4561 10 C 6.5484 -0.3407 -0.7043 C.3 1 UNL1 0.0800 11 C 7.8585 0.1172 -1.3773 C.3 1 UNL1 -0.3552 12 C 6.8406 -0.6877 0.7712 C.3 1 UNL1 -0.3357 13 C 8.9217 -0.9690 -1.1936 C.3 1 UNL1 -0.0339 14 C 7.9641 -1.7227 0.8336 C.3 1 UNL1 -0.0423 15 C 4.1797 0.3509 -0.4915 C.3 1 UNL1 -0.1367 16 C 3.7342 1.0925 0.8007 C.3 1 UNL1 -0.0716 17 C 1.2912 1.0517 0.5205 C.ar 1 UNL1 0.4582 18 C -1.1136 0.6859 0.0846 C.ar 1 UNL1 0.3443 19 C -2.0367 -0.2826 0.5134 C.ar 1 UNL1 -0.2724 20 C -1.3052 -1.1860 1.3565 C.ar 1 UNL1 0.2233 21 C 1.1819 2.1624 -0.3188 C.ar 1 UNL1 -0.5022 22 C -0.0681 2.4895 -0.9065 C.ar 1 UNL1 0.3401 23 C -3.4349 -0.3172 0.1875 C.ar 1 UNL1 -0.0464 24 C -1.8284 -2.3731 2.0587 C.3 1 UNL1 -0.4311 25 C -0.1840 3.6884 -1.7872 C.3 1 UNL1 -0.4519 26 C -4.0106 -1.3710 -0.5161 C.ar 1 UNL1 0.0966 27 C -4.2864 0.7371 0.5494 C.ar 1 UNL1 0.1013 28 C -5.3600 -1.4236 -0.8444 C.ar 1 UNL1 -0.3347 29 C -5.6350 0.7495 0.2489 C.ar 1 UNL1 -0.2813 30 C -6.1616 -0.3498 -0.4539 C.ar 1 UNL1 0.2779 31 C -8.1189 -1.2821 -1.4149 C.3 1 UNL1 -0.2020 32 H 6.1603 -1.2500 -1.2317 H 1 UNL1 0.1136 33 H 8.2042 1.0620 -0.9111 H 1 UNL1 0.1688 34 H 7.7065 0.3329 -2.4477 H 1 UNL1 0.1410 35 H 5.9345 -1.0610 1.2763 H 1 UNL1 0.1443 36 H 7.1382 0.2338 1.3106 H 1 UNL1 0.1679 37 H 8.6622 -1.8975 -1.7318 H 1 UNL1 0.1166 38 H 9.9243 -0.6269 -1.5129 H 1 UNL1 0.1420 39 H 8.3296 -1.8803 1.8656 H 1 UNL1 0.1409 40 H 7.6607 -2.6924 0.4018 H 1 UNL1 0.1158 41 H 5.6466 1.3144 -1.5981 H 1 UNL1 0.2662 42 H 3.5062 0.6204 -1.3323 H 1 UNL1 0.1366 43 H 4.0809 -0.7459 -0.3522 H 1 UNL1 0.1403 44 H 3.7616 2.1935 0.6422 H 1 UNL1 0.1608 45 H 4.4527 0.8866 1.6280 H 1 UNL1 0.1643 46 H 2.3464 -0.2121 1.7495 H 1 UNL1 0.3356 47 H 2.0404 2.7926 -0.5098 H 1 UNL1 0.1918 48 H -2.9254 -2.3403 2.1513 H 1 UNL1 0.1719 49 H -1.4096 -2.4674 3.0739 H 1 UNL1 0.1722 50 H -1.5677 -3.3004 1.5193 H 1 UNL1 0.1774 51 H 0.0501 4.6098 -1.2337 H 1 UNL1 0.1684 52 H -1.2068 3.8013 -2.1900 H 1 UNL1 0.1863 53 H 0.4996 3.6235 -2.6451 H 1 UNL1 0.1651 54 H -5.7659 -2.2680 -1.3919 H 1 UNL1 0.1815 55 H -6.2876 1.5740 0.5324 H 1 UNL1 0.1930 56 H -7.6938 -1.3701 -2.4196 H 1 UNL1 0.1380 57 H -8.0591 -2.2276 -0.8672 H 1 UNL1 0.1357 58 H -9.1598 -0.9347 -1.4680 H 1 UNL1 0.1532 @BOND 1 53 25 1 2 34 11 1 3 56 31 1 4 52 25 1 5 25 51 1 6 25 22 1 7 37 13 1 8 41 5 1 9 38 13 1 10 58 31 1 11 31 57 1 12 31 4 1 13 54 28 1 14 11 13 1 15 11 33 1 16 11 10 1 17 42 15 1 18 32 10 1 19 13 3 1 20 1 26 1 21 22 9 ar 22 22 21 ar 23 28 26 ar 24 28 30 ar 25 5 10 1 26 5 15 1 27 9 18 ar 28 10 12 1 29 4 30 1 30 26 23 ar 31 47 21 1 32 15 43 1 33 15 16 1 34 30 29 ar 35 21 17 ar 36 18 19 ar 37 18 7 ar 38 3 14 1 39 23 19 1 40 23 27 ar 41 29 55 1 42 29 27 ar 43 40 14 1 44 19 20 ar 45 17 7 ar 46 17 6 1 47 27 2 1 48 44 16 1 49 7 8 ar 50 12 14 1 51 12 35 1 52 12 36 1 53 16 6 1 54 16 45 1 55 14 39 1 56 6 46 1 57 20 8 ar 58 20 24 1 59 50 24 1 60 24 48 1 61 24 49 1