@MOLECULE 1-[methyl(nitroso)amino]butyl hydroperoxide 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4873 -1.6843 0.4673 O.3 1 UNL1111111111 -0.1713 2 O 0.3064 -2.8357 0.1788 O.3 1 UNL1111111111 -0.3066 3 O -2.1825 1.7524 0.8173 O.2 1 UNL1111111111 -0.2785 4 N -1.0273 0.3516 -0.3469 N.pl3 1 UNL1111111111 -0.3664 5 N -1.2039 1.0705 0.7611 N.2 1 UNL1111111111 0.2208 6 C 1.3626 -0.1400 0.2872 C.3 1 UNL1111111111 -0.3253 7 C 0.0594 -0.6329 -0.3514 C.3 1 UNL1111111111 0.2326 8 C 2.0441 0.9182 -0.5824 C.3 1 UNL1111111111 -0.2432 9 C 3.3322 1.4055 0.0795 C.3 1 UNL1111111111 -0.4352 10 C -2.0223 0.2533 -1.4250 C.3 1 UNL1111111111 -0.2828 11 H 1.1663 0.2601 1.3026 H 1 UNL1111111111 0.1726 12 H 2.0323 -1.0118 0.4329 H 1 UNL1111111111 0.1594 13 H 0.2202 -1.0178 -1.3894 H 1 UNL1111111111 0.1491 14 H 1.3588 1.7748 -0.7425 H 1 UNL1111111111 0.1467 15 H 2.2634 0.5106 -1.5870 H 1 UNL1111111111 0.1321 16 H 3.8386 2.1527 -0.5415 H 1 UNL1111111111 0.1414 17 H 3.1311 1.8712 1.0517 H 1 UNL1111111111 0.1482 18 H 4.0369 0.5836 0.2456 H 1 UNL1111111111 0.1407 19 H -2.8389 0.9852 -1.2735 H 1 UNL1111111111 0.1749 20 H -2.4741 -0.7536 -1.4549 H 1 UNL1111111111 0.1575 21 H -1.5542 0.4692 -2.3995 H 1 UNL1111111111 0.1511 22 H 0.4279 -3.1543 1.1088 H 1 UNL1111111111 0.2820 @BOND 1 1 2 1 2 1 7 1 3 2 22 1 4 3 5 2 5 4 5 1 6 4 7 1 7 4 10 1 8 6 7 1 9 6 8 1 10 6 11 1 11 6 12 1 12 7 13 1 13 8 9 1 14 8 14 1 15 8 15 1 16 9 16 1 17 9 17 1 18 9 18 1 19 10 19 1 20 10 20 1 21 10 21 1