@MOLECULE 2-(diethylnitroryl)-n-(2,6-dimethylphenyl)acetamide 40 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.9584 -0.6616 -0.9388 O.3 1 UNL1 -0.7504 2 O 0.2044 1.7643 1.4216 O.2 1 UNL1 -0.5330 3 N -2.4981 0.0034 0.0581 N.4 1 UNL1 0.3307 4 N 0.3631 0.4346 -0.4503 N.am 1 UNL1 -0.5487 5 C -1.8077 1.3498 0.2078 C.3 1 UNL1 -0.3211 6 C -3.9811 0.2207 -0.2231 C.3 1 UNL1 -0.1698 7 C -2.3263 -0.7800 1.3596 C.3 1 UNL1 -0.1821 8 C -0.3026 1.1965 0.4775 C.2 1 UNL1 0.5672 9 C -4.1973 0.9181 -1.5603 C.3 1 UNL1 -0.4515 10 C -2.8361 -2.2079 1.2187 C.3 1 UNL1 -0.4508 11 C 1.7167 0.0311 -0.2834 C.ar 1 UNL1 0.1058 12 C 2.7477 0.9758 -0.1440 C.ar 1 UNL1 0.0478 13 C 2.0083 -1.3482 -0.3146 C.ar 1 UNL1 0.0054 14 C 4.0616 0.5234 0.0082 C.ar 1 UNL1 -0.1931 15 C 3.3293 -1.7675 -0.1696 C.ar 1 UNL1 -0.1870 16 C 2.4842 2.4402 -0.1595 C.3 1 UNL1 -0.4500 17 C 0.9340 -2.3608 -0.5190 C.3 1 UNL1 -0.4567 18 C 4.3505 -0.8360 0.0014 C.ar 1 UNL1 -0.1382 19 H -2.2691 1.9328 1.0296 H 1 UNL1 0.1752 20 H -1.9370 1.9276 -0.7352 H 1 UNL1 0.1912 21 H -4.4590 -0.7853 -0.2564 H 1 UNL1 0.1659 22 H -4.4326 0.7874 0.6127 H 1 UNL1 0.1362 23 H -1.2384 -0.8019 1.6052 H 1 UNL1 0.1724 24 H -2.8384 -0.2402 2.1792 H 1 UNL1 0.1425 25 H -5.2286 0.7916 -1.9097 H 1 UNL1 0.1510 26 H -3.9911 1.9918 -1.5225 H 1 UNL1 0.1450 27 H -3.5400 0.4742 -2.3330 H 1 UNL1 0.1930 28 H -2.4160 -2.8554 1.9982 H 1 UNL1 0.1565 29 H -3.9259 -2.2797 1.2808 H 1 UNL1 0.1418 30 H -2.5327 -2.6328 0.2432 H 1 UNL1 0.1905 31 H -0.2434 -0.1547 -1.0732 H 1 UNL1 0.3731 32 H 4.8653 1.2461 0.1329 H 1 UNL1 0.1535 33 H 3.5645 -2.8291 -0.1877 H 1 UNL1 0.1529 34 H 3.3718 3.0284 -0.4208 H 1 UNL1 0.1478 35 H 1.6887 2.7109 -0.8683 H 1 UNL1 0.1604 36 H 2.1443 2.7806 0.8375 H 1 UNL1 0.1876 37 H 1.2502 -3.3746 -0.2437 H 1 UNL1 0.1562 38 H 0.0251 -2.1395 0.0638 H 1 UNL1 0.1676 39 H 0.6182 -2.3939 -1.5752 H 1 UNL1 0.1689 40 H 5.3772 -1.1736 0.1256 H 1 UNL1 0.1466 @BOND 1 27 9 1 2 25 9 1 3 39 17 1 4 9 26 1 5 9 6 1 6 31 4 1 7 1 3 1 8 35 16 1 9 20 5 1 10 17 13 1 11 17 37 1 12 17 38 1 13 4 11 1 14 4 8 am 15 34 16 1 16 13 11 ar 17 13 15 ar 18 11 12 ar 19 21 6 1 20 6 3 1 21 6 22 1 22 33 15 1 23 15 18 ar 24 16 12 1 25 16 36 1 26 12 14 ar 27 18 14 ar 28 18 40 1 29 14 32 1 30 3 5 1 31 3 7 1 32 5 8 1 33 5 19 1 34 30 10 1 35 8 2 2 36 10 29 1 37 10 7 1 38 10 28 1 39 7 23 1 40 7 24 1