@MOLECULE 3-(5-amino-7-oxo-3,7-dihydro-2h-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-n-(3,5-dichlorobenzyl)benzamide 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.3877 0.3615 8.4156 N.pl3 1 UNL11 -0.5578 2 C -1.4012 0.2147 7.4868 C.ar 1 UNL11 0.5665 3 N -0.0973 0.1426 7.9983 N.ar 1 UNL11 -0.6282 4 C 0.9063 -0.0031 7.1393 C.ar 1 UNL11 0.5407 5 O 2.1526 -0.0728 7.6076 O.3 1 UNL11 -0.3882 6 C 0.6864 -0.0865 5.7385 C.ar 1 UNL11 -0.2471 7 N 1.4481 -0.2378 4.6216 N.ar 1 UNL11 -0.1484 8 N 0.5819 -0.2424 3.6062 N.ar 1 UNL11 0.0875 9 N -0.7321 -0.1023 3.9506 N.ar 1 UNL11 -0.2913 10 C -0.7293 0.0012 5.3112 C.ar 1 UNL11 0.2986 11 N -1.7615 0.1535 6.1805 N.ar 1 UNL11 -0.5266 12 C 0.9838 -0.3953 2.2446 C.ar 1 UNL11 0.1301 13 C 2.3483 -0.4036 1.9246 C.ar 1 UNL11 -0.1239 14 C 2.7312 -0.5604 0.5959 C.ar 1 UNL11 -0.1396 15 C 1.7700 -0.7018 -0.4033 C.ar 1 UNL11 -0.1085 16 C 0.4174 -0.6838 -0.0652 C.ar 1 UNL11 -0.1169 17 C 0.0033 -0.5378 1.2533 C.ar 1 UNL11 -0.1049 18 C -0.5969 -0.8744 -1.1414 C.2 1 UNL11 0.5815 19 O -1.0019 -1.9593 -1.4989 O.2 1 UNL11 -0.5018 20 N -1.0691 0.2944 -1.7107 N.am 1 UNL11 -0.5870 21 C -1.9701 0.2202 -2.8635 C.3 1 UNL11 -0.0754 22 C -1.1769 0.1580 -4.1461 C.ar 1 UNL11 0.0008 23 C -1.0843 1.2769 -4.9749 C.ar 1 UNL11 -0.2022 24 C -0.3208 1.1856 -6.1329 C.ar 1 UNL11 0.0415 25 CL -0.2078 2.5535 -7.1485 Cl 1 UNL11 -0.0661 26 C 0.3592 0.0310 -6.4989 C.ar 1 UNL11 -0.2012 27 C 0.2398 -1.0612 -5.6464 C.ar 1 UNL11 0.0383 28 CL 1.0634 -2.5005 -6.0452 Cl 1 UNL11 -0.0578 29 C -0.5177 -1.0268 -4.4841 C.ar 1 UNL11 -0.1838 30 H -2.1633 0.4076 9.3889 H 1 UNL11 0.3269 31 H -3.3448 0.4158 8.1235 H 1 UNL11 0.3306 32 H 2.1738 -0.0080 8.6151 H 1 UNL11 0.3553 33 H 3.1026 -0.2937 2.7101 H 1 UNL11 0.1910 34 H 3.7906 -0.5761 0.3377 H 1 UNL11 0.1649 35 H 2.0751 -0.8352 -1.4421 H 1 UNL11 0.1648 36 H -1.0621 -0.5410 1.5155 H 1 UNL11 0.2061 37 H -0.6638 1.1904 -1.4981 H 1 UNL11 0.3162 38 H -2.6568 1.0978 -2.8438 H 1 UNL11 0.1525 39 H -2.6224 -0.6889 -2.7700 H 1 UNL11 0.1862 40 H -1.5997 2.2027 -4.7189 H 1 UNL11 0.1771 41 H 0.9562 -0.0175 -7.4113 H 1 UNL11 0.1924 42 H -0.6026 -1.9067 -3.8335 H 1 UNL11 0.2071 @BOND 1 1 2 1 2 1 30 1 3 1 31 1 4 2 3 ar 5 2 11 ar 6 3 4 ar 7 4 5 1 8 4 6 ar 9 5 32 1 10 6 7 ar 11 6 10 ar 12 7 8 ar 13 8 9 ar 14 8 12 1 15 9 10 ar 16 10 11 ar 17 12 13 ar 18 12 17 ar 19 13 14 ar 20 13 33 1 21 14 15 ar 22 14 34 1 23 15 16 ar 24 15 35 1 25 16 17 ar 26 16 18 1 27 17 36 1 28 18 19 2 29 18 20 am 30 20 21 1 31 20 37 1 32 21 22 1 33 21 38 1 34 21 39 1 35 22 23 ar 36 22 29 ar 37 23 24 ar 38 23 40 1 39 24 25 1 40 24 26 ar 41 26 27 ar 42 26 41 1 43 27 28 1 44 27 29 ar 45 29 42 1