@MOLECULE n-[3-(dimethylnitroryl)propyl]dodecanamide 57 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.1321 -3.7020 0.0905 O.3 1 UNL1 -0.7317 2 O 4.1400 0.9804 -1.6920 O.2 1 UNL1 -0.5350 3 N 0.8144 -2.4520 0.2578 N.4 1 UNL1 0.3929 4 N 4.4595 0.0760 0.3556 N.am 1 UNL1 -0.6126 5 C -1.0082 1.7846 -0.1781 C.3 1 UNL1 -0.2708 6 C -2.2252 1.2433 0.5814 C.3 1 UNL1 -0.2703 7 C 0.1841 1.9622 0.7703 C.3 1 UNL1 -0.2741 8 C -3.4309 1.0967 -0.3550 C.3 1 UNL1 -0.2727 9 C 1.4554 2.3013 -0.0147 C.3 1 UNL1 -0.2796 10 C -4.6275 0.5010 0.3974 C.3 1 UNL1 -0.2764 11 C 2.6446 2.5014 0.9352 C.3 1 UNL1 -0.2562 12 C 2.0677 -1.6265 0.5374 C.3 1 UNL1 -0.2141 13 C -5.8419 0.3699 -0.5300 C.3 1 UNL1 -0.2733 14 C 3.0780 -1.7696 -0.6022 C.3 1 UNL1 -0.3174 15 C 3.9756 2.4822 0.1761 C.3 1 UNL1 -0.3745 16 C 4.4788 -1.2892 -0.1848 C.3 1 UNL1 -0.0528 17 C -7.0361 -0.2368 0.2189 C.3 1 UNL1 -0.2518 18 C 4.1883 1.1379 -0.4897 C.2 1 UNL1 0.5926 19 C 0.1042 -1.9258 -0.9679 C.3 1 UNL1 -0.3804 20 C -0.1143 -2.3132 1.4480 C.3 1 UNL1 -0.3855 21 C -8.2605 -0.3274 -0.6918 C.3 1 UNL1 -0.4388 22 H -1.2568 2.7512 -0.6559 H 1 UNL1 0.1404 23 H -0.7438 1.1050 -1.0101 H 1 UNL1 0.1379 24 H -1.9857 0.2676 1.0427 H 1 UNL1 0.1322 25 H -2.4800 1.9198 1.4187 H 1 UNL1 0.1353 26 H 0.3377 1.0440 1.3663 H 1 UNL1 0.1274 27 H -0.0354 2.7610 1.5036 H 1 UNL1 0.1385 28 H -3.7023 2.0811 -0.7804 H 1 UNL1 0.1366 29 H -3.1698 0.4563 -1.2182 H 1 UNL1 0.1391 30 H 1.3009 3.2118 -0.6242 H 1 UNL1 0.1462 31 H 1.6759 1.5001 -0.7488 H 1 UNL1 0.1538 32 H -4.3604 -0.4889 0.8124 H 1 UNL1 0.1370 33 H -4.8831 1.1355 1.2665 H 1 UNL1 0.1354 34 H 2.5365 3.4652 1.4705 H 1 UNL1 0.1440 35 H 2.6402 1.7259 1.7235 H 1 UNL1 0.1316 36 H 1.7870 -0.5673 0.6913 H 1 UNL1 0.1375 37 H 2.5121 -2.0133 1.4795 H 1 UNL1 0.1569 38 H -6.1164 1.3605 -0.9381 H 1 UNL1 0.1370 39 H -5.5873 -0.2575 -1.4046 H 1 UNL1 0.1379 40 H 2.7493 -1.2034 -1.4967 H 1 UNL1 0.1629 41 H 3.1280 -2.8398 -0.9147 H 1 UNL1 0.1930 42 H 4.8187 2.7285 0.8483 H 1 UNL1 0.1611 43 H 3.9810 3.2696 -0.6090 H 1 UNL1 0.1812 44 H 5.1518 -1.3115 -1.0776 H 1 UNL1 0.1636 45 H 4.9191 -1.9689 0.5767 H 1 UNL1 0.1386 46 H -7.2735 0.3728 1.1112 H 1 UNL1 0.1336 47 H -6.7732 -1.2418 0.6001 H 1 UNL1 0.1339 48 H 4.4044 0.1757 1.3520 H 1 UNL1 0.3019 49 H 0.7202 -2.1229 -1.8614 H 1 UNL1 0.1777 50 H -0.8370 -2.4791 -1.1145 H 1 UNL1 0.1707 51 H -0.1003 -0.8523 -0.8884 H 1 UNL1 0.1473 52 H 0.3750 -2.7241 2.3447 H 1 UNL1 0.1692 53 H -0.4043 -1.2722 1.6192 H 1 UNL1 0.1414 54 H -1.0130 -2.9288 1.2797 H 1 UNL1 0.1743 55 H -8.5644 0.6610 -1.0541 H 1 UNL1 0.1427 56 H -9.1164 -0.7623 -0.1637 H 1 UNL1 0.1414 57 H -8.0622 -0.9536 -1.5689 H 1 UNL1 0.1433 @BOND 1 49 19 1 2 2 18 2 3 57 21 1 4 40 14 1 5 39 13 1 6 29 8 1 7 50 19 1 8 44 16 1 9 55 21 1 10 23 5 1 11 19 51 1 12 19 3 1 13 38 13 1 14 41 14 1 15 28 8 1 16 31 9 1 17 21 56 1 18 21 17 1 19 22 5 1 20 30 9 1 21 43 15 1 22 14 16 1 23 14 12 1 24 13 17 1 25 13 10 1 26 18 15 1 27 18 4 am 28 8 10 1 29 8 6 1 30 16 4 1 31 16 45 1 32 5 6 1 33 5 7 1 34 9 7 1 35 9 11 1 36 1 3 1 37 15 42 1 38 15 11 1 39 17 47 1 40 17 46 1 41 3 12 1 42 3 20 1 43 4 48 1 44 10 32 1 45 10 33 1 46 12 36 1 47 12 37 1 48 6 24 1 49 6 25 1 50 7 26 1 51 7 27 1 52 11 34 1 53 11 35 1 54 54 20 1 55 20 53 1 56 20 52 1