@MOLECULE 8-methyl-6-[2-(5-methyl-1-phenyl-1h-benzimidazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine 49 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3991 3.7356 -0.1875 C.ar 1 UNL1 -0.1608 2 C -0.1693 3.1299 -1.3076 C.ar 1 UNL1 -0.1206 3 C 0.2189 3.1804 1.0791 C.ar 1 UNL1 -0.1252 4 C -5.5142 0.4714 -0.3317 C.ar 1 UNL1 -0.1580 5 C -4.2296 0.9774 -0.2378 C.ar 1 UNL1 -0.1777 6 C -0.9195 1.9658 -1.1704 C.ar 1 UNL1 -0.1864 7 C -0.5229 2.0128 1.2343 C.ar 1 UNL1 -0.1838 8 C -4.7927 -1.8045 0.1829 C.ar 1 UNL1 -0.1592 9 C -5.7966 -0.8998 -0.1281 C.ar 1 UNL1 0.0223 10 C -3.4869 -1.3194 0.2835 C.ar 1 UNL1 0.0821 11 C -3.2124 0.0726 0.0677 C.ar 1 UNL1 0.0400 12 C -1.0887 1.4117 0.1038 C.ar 1 UNL1 0.1665 13 C 4.4081 -2.1134 -0.2104 C.ar 1 UNL1 0.0996 14 C 4.4625 -0.7182 -0.0363 C.ar 1 UNL1 0.1004 15 C -1.3170 -1.0737 0.5461 C.ar 1 UNL1 0.2939 16 C 2.3143 -1.3994 -0.4170 C.ar 1 UNL1 0.1833 17 C 3.8308 1.9492 0.1815 C.ar 1 UNL1 -0.2866 18 C 2.8071 1.0801 -0.0673 C.ar 1 UNL1 0.0568 19 C 5.1722 1.4398 0.3197 C.ar 1 UNL1 0.0481 20 C -7.2101 -1.3652 -0.2380 C.3 1 UNL1 -0.4460 21 C 5.5186 -3.0781 -0.1783 C.3 1 UNL1 -0.4156 22 C 0.1292 -1.3271 0.7514 C.3 1 UNL1 -0.2675 23 C 0.8487 -1.3736 -0.6092 C.3 1 UNL1 -0.2562 24 N -2.2898 -1.9844 0.5745 N.ar 1 UNL1 -0.4053 25 N 3.0996 -2.4920 -0.4375 N.ar 1 UNL1 -0.3615 26 N 5.4702 0.1654 0.2133 N.ar 1 UNL1 -0.3122 27 N -1.8301 0.2131 0.2499 N.ar 1 UNL1 -0.3667 28 N 3.0993 -0.2659 -0.1761 N.ar 1 UNL1 -0.2792 29 H 0.9798 4.6493 -0.3019 H 1 UNL1 0.1548 30 H -0.0271 3.5686 -2.2955 H 1 UNL1 0.1589 31 H 0.6542 3.6643 1.9537 H 1 UNL1 0.1592 32 H -6.3380 1.1440 -0.5677 H 1 UNL1 0.1572 33 H -4.0171 2.0306 -0.3913 H 1 UNL1 0.1618 34 H -1.3732 1.4891 -2.0397 H 1 UNL1 0.1750 35 H -0.6768 1.5784 2.2220 H 1 UNL1 0.1751 36 H -4.9925 -2.8610 0.3469 H 1 UNL1 0.1749 37 H 3.6578 3.0167 0.2759 H 1 UNL1 0.1797 38 H 1.7599 1.3806 -0.1883 H 1 UNL1 0.1867 39 H 5.9998 2.1311 0.5220 H 1 UNL1 0.1810 40 H -7.7440 -0.8722 -1.0616 H 1 UNL1 0.1547 41 H -7.2832 -2.4474 -0.4125 H 1 UNL1 0.1563 42 H -7.7647 -1.1491 0.6879 H 1 UNL1 0.1604 43 H 5.3054 -3.9160 0.5064 H 1 UNL1 0.1720 44 H 5.6932 -3.5192 -1.1746 H 1 UNL1 0.1705 45 H 6.4590 -2.6048 0.1470 H 1 UNL1 0.1701 46 H 0.5807 -0.5627 1.4167 H 1 UNL1 0.1611 47 H 0.2709 -2.3034 1.2800 H 1 UNL1 0.2029 48 H 0.5417 -0.5214 -1.2514 H 1 UNL1 0.1602 49 H 0.5285 -2.2921 -1.1653 H 1 UNL1 0.2032 @BOND 1 30 2 1 2 34 6 1 3 2 6 ar 4 2 1 ar 5 48 23 1 6 44 21 1 7 6 12 ar 8 49 23 1 9 40 20 1 10 23 16 1 11 23 22 1 12 32 4 1 13 25 16 ar 14 25 13 ar 15 16 28 ar 16 41 20 1 17 33 5 1 18 4 5 ar 19 4 9 ar 20 29 1 1 21 20 9 1 22 20 42 1 23 5 11 ar 24 13 21 1 25 13 14 ar 26 38 18 1 27 1 3 ar 28 21 45 1 29 21 43 1 30 28 18 ar 31 28 14 ar 32 9 8 ar 33 18 17 ar 34 14 26 ar 35 11 27 ar 36 11 10 ar 37 12 27 1 38 12 7 ar 39 17 37 1 40 17 19 ar 41 8 10 ar 42 8 36 1 43 26 19 ar 44 27 15 ar 45 10 24 ar 46 19 39 1 47 15 24 ar 48 15 22 1 49 22 47 1 50 22 46 1 51 3 7 ar 52 3 31 1 53 7 35 1