@MOLECULE 8-(2,4-dichlorophenyl)-n-(1,3-dimethoxy-2-propanyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine 48 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 2.7710 1.7856 -1.7172 Cl 1 UNL1 -0.0684 2 CL 7.1338 -0.5302 0.2748 Cl 1 UNL1 -0.0891 3 O -5.6053 0.1636 -2.0325 O.3 1 UNL1 -0.3862 4 O -5.3432 0.5244 2.0319 O.3 1 UNL1 -0.3846 5 N -0.9591 0.0800 0.3201 N.ar 1 UNL1 -0.2758 6 N -3.3240 0.1504 0.1288 N.3 1 UNL1 -0.4791 7 N -0.7594 1.4109 0.5780 N.ar 1 UNL1 -0.3077 8 N -2.1487 -1.8995 -0.1477 N.2 1 UNL1 -0.6171 9 N 0.2572 -1.9704 -0.0417 N.pl3 1 UNL1 -0.5068 10 C -4.6305 -0.5337 0.0878 C.3 1 UNL1 0.0420 11 C -2.1761 -0.5755 0.1169 C.3 1 UNL1 0.5736 12 C 0.2832 -0.6337 0.2114 C.ar 1 UNL1 0.3423 13 C 1.2763 0.3321 0.4103 C.ar 1 UNL1 -0.2766 14 C -4.9981 -0.9186 -1.3637 C.3 1 UNL1 -0.0660 15 C -5.6987 0.4149 0.6613 C.3 1 UNL1 -0.0716 16 C 0.5813 1.5782 0.6341 C.ar 1 UNL1 0.2207 17 C 2.7001 0.1181 0.3767 C.ar 1 UNL1 0.0383 18 C -0.9345 -2.5486 -0.2147 C.2 1 UNL1 0.4626 19 C 1.1783 2.8991 0.9055 C.3 1 UNL1 -0.4305 20 C 3.5043 0.7596 -0.5675 C.ar 1 UNL1 0.0265 21 C 3.3075 -0.7601 1.2842 C.ar 1 UNL1 -0.0977 22 C -0.9916 -4.0092 -0.5078 C.3 1 UNL1 -0.4309 23 C 4.8807 0.5815 -0.6238 C.ar 1 UNL1 -0.1954 24 C 4.6850 -0.9648 1.2547 C.ar 1 UNL1 -0.1726 25 C 5.4400 -0.2854 0.3063 C.ar 1 UNL1 0.0354 26 C -4.6956 1.0341 -2.6824 C.3 1 UNL1 -0.1917 27 C -6.2021 1.3789 2.7608 C.3 1 UNL1 -0.1970 28 H -4.5770 -1.4702 0.7144 H 1 UNL1 0.1776 29 H -3.2971 1.1117 0.4780 H 1 UNL1 0.3514 30 H -4.1230 -1.3134 -1.9104 H 1 UNL1 0.1541 31 H -5.7966 -1.6860 -1.3701 H 1 UNL1 0.1464 32 H -5.6868 1.4079 0.1776 H 1 UNL1 0.1397 33 H -6.7082 -0.0194 0.5587 H 1 UNL1 0.1362 34 H 0.6388 3.4354 1.7039 H 1 UNL1 0.1747 35 H 1.1404 3.5456 0.0102 H 1 UNL1 0.1812 36 H 2.2334 2.8184 1.2100 H 1 UNL1 0.1720 37 H 2.6869 -1.2891 2.0101 H 1 UNL1 0.1750 38 H -1.4165 -4.1930 -1.5084 H 1 UNL1 0.1791 39 H 0.0112 -4.4686 -0.4765 H 1 UNL1 0.1846 40 H -1.6338 -4.5354 0.2171 H 1 UNL1 0.1791 41 H 5.4909 1.0923 -1.3690 H 1 UNL1 0.1866 42 H 5.1520 -1.6493 1.9627 H 1 UNL1 0.1743 43 H -4.1219 0.4992 -3.4458 H 1 UNL1 0.1274 44 H -4.0259 1.5166 -1.9641 H 1 UNL1 0.1306 45 H -5.3561 1.7739 -3.1504 H 1 UNL1 0.1394 46 H -7.2276 0.9977 2.7640 H 1 UNL1 0.1209 47 H -6.1660 2.4009 2.3720 H 1 UNL1 0.1224 48 H -5.7793 1.3408 3.7742 H 1 UNL1 0.1506 @BOND 1 43 26 1 2 45 26 1 3 26 3 1 4 26 44 1 5 3 14 1 6 30 14 1 7 1 20 1 8 38 22 1 9 31 14 1 10 41 23 1 11 14 10 1 12 23 20 ar 13 23 25 ar 14 20 17 ar 15 22 39 1 16 22 18 1 17 22 40 1 18 18 8 2 19 18 9 1 20 8 11 1 21 9 12 1 22 35 19 1 23 10 6 1 24 10 15 1 25 10 28 1 26 11 6 1 27 11 5 1 28 6 29 1 29 32 15 1 30 12 5 ar 31 12 13 ar 32 2 25 1 33 25 24 ar 34 5 7 ar 35 17 13 1 36 17 21 ar 37 13 16 ar 38 33 15 1 39 7 16 ar 40 16 19 1 41 15 4 1 42 19 36 1 43 19 34 1 44 24 21 ar 45 24 42 1 46 21 37 1 47 4 27 1 48 47 27 1 49 27 46 1 50 27 48 1