@MOLECULE (1r)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)-2-butanone 36 37 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.4515 0.0107 -0.1497 Cl 1 UNL1111111111 -0.0839 2 O 0.2230 1.2455 0.1160 O.3 1 UNL1111111111 -0.3024 3 O 0.7427 -0.8175 1.7136 O.2 1 UNL1111111111 -0.3261 4 N 2.4383 0.9914 -0.2934 N.ar 1 UNL1111111111 -0.2008 5 N 2.9665 1.4172 0.8890 N.ar 1 UNL1111111111 -0.2137 6 N 4.3915 1.9064 -0.8096 N.ar 1 UNL1111111111 -0.3927 7 C 1.6201 -2.2723 0.0184 C.3 1 UNL1111111111 0.0270 8 C 1.1552 -0.9405 0.5996 C.2 1 UNL1111111111 0.3701 9 C 1.1737 0.2920 -0.3562 C.3 1 UNL1111111111 0.1631 10 C 1.5346 -3.3163 1.1380 C.3 1 UNL1111111111 -0.4440 11 C 0.6877 -2.6671 -1.1314 C.3 1 UNL1111111111 -0.4581 12 C 3.0654 -2.1449 -0.4645 C.3 1 UNL1111111111 -0.4619 13 C -1.0867 0.8806 -0.0129 C.ar 1 UNL1111111111 0.2306 14 C 3.3206 1.3038 -1.3388 C.ar 1 UNL1111111111 0.0872 15 C -1.5767 0.0212 -0.9957 C.ar 1 UNL1111111111 -0.2748 16 C -1.9364 1.5049 0.9126 C.ar 1 UNL1111111111 -0.1832 17 C 4.1525 1.9762 0.5651 C.ar 1 UNL1111111111 0.0677 18 C -2.9459 -0.2428 -1.0396 C.ar 1 UNL1111111111 -0.1069 19 C -3.2981 1.2409 0.8559 C.ar 1 UNL1111111111 -0.1112 20 C -3.7791 0.3615 -0.1121 C.ar 1 UNL1111111111 -0.0340 21 H 0.9589 0.0175 -1.4212 H 1 UNL1111111111 0.1536 22 H 1.8545 -4.3066 0.8025 H 1 UNL1111111111 0.1469 23 H 2.1666 -3.0340 1.9933 H 1 UNL1111111111 0.1627 24 H 0.5109 -3.4068 1.5221 H 1 UNL1111111111 0.1600 25 H 0.9102 -3.6894 -1.4737 H 1 UNL1111111111 0.1624 26 H 0.7907 -2.0200 -2.0069 H 1 UNL1111111111 0.1394 27 H -0.3653 -2.6640 -0.8162 H 1 UNL1111111111 0.1589 28 H 3.4871 -3.1288 -0.7033 H 1 UNL1111111111 0.1617 29 H 3.7123 -1.7055 0.3070 H 1 UNL1111111111 0.1627 30 H 3.1581 -1.5309 -1.3660 H 1 UNL1111111111 0.1424 31 H 3.1415 1.0893 -2.3772 H 1 UNL1111111111 0.1980 32 H -0.9305 -0.4402 -1.7338 H 1 UNL1111111111 0.1602 33 H -1.5152 2.1734 1.6663 H 1 UNL1111111111 0.1892 34 H 4.8482 2.4198 1.2606 H 1 UNL1111111111 0.2087 35 H -3.3375 -0.9179 -1.8015 H 1 UNL1111111111 0.1669 36 H -3.9734 1.7129 1.5717 H 1 UNL1111111111 0.1741 @BOND 1 1 20 1 2 2 9 1 3 2 13 1 4 3 8 2 5 4 5 ar 6 4 9 1 7 4 14 ar 8 5 17 ar 9 6 14 ar 10 6 17 ar 11 7 8 1 12 7 10 1 13 7 11 1 14 7 12 1 15 8 9 1 16 9 21 1 17 10 22 1 18 10 23 1 19 10 24 1 20 11 25 1 21 11 26 1 22 11 27 1 23 12 28 1 24 12 29 1 25 12 30 1 26 13 15 ar 27 13 16 ar 28 14 31 1 29 15 18 ar 30 15 32 1 31 16 19 ar 32 16 33 1 33 17 34 1 34 18 20 ar 35 18 35 1 36 19 20 ar 37 19 36 1