@MOLECULE 1-[butyl(nitro)amino]butyl acetate 36 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7207 -0.1193 -0.6011 O.3 1 UNL1 -0.4428 2 O -1.3415 -2.3665 -0.3795 O.2 1 UNL1 -0.3549 3 O 0.6607 -2.1780 0.4272 O.2 1 UNL1 -0.4556 4 O 3.3879 -1.4279 -1.0493 O.2 1 UNL1 -0.4177 5 N -0.5169 -0.3297 -0.0360 N.pl3 1 UNL1 -0.4812 6 N -0.3954 -1.7225 0.0160 N.pl3 1 UNL1 0.7638 7 C 0.7511 0.4227 0.2577 C.3 1 UNL1 0.2987 8 C 0.6098 1.8743 -0.2379 C.3 1 UNL1 -0.3103 9 C -1.7375 0.1643 0.6634 C.3 1 UNL1 -0.0905 10 C -2.9729 -0.0010 -0.2349 C.3 1 UNL1 -0.2803 11 C 1.7823 2.7093 0.2849 C.3 1 UNL1 -0.2465 12 C -4.1677 0.7275 0.3922 C.3 1 UNL1 -0.2531 13 C 1.7059 4.1361 -0.2559 C.3 1 UNL1 -0.4365 14 C -5.4536 0.3841 -0.3593 C.3 1 UNL1 -0.4360 15 C 2.7668 -0.9090 -0.1655 C.2 1 UNL1 0.6399 16 C 3.1050 -0.9620 1.2851 C.3 1 UNL1 -0.5486 17 H 1.0312 0.3429 1.3329 H 1 UNL1 0.1204 18 H -0.3530 2.3251 0.0569 H 1 UNL1 0.1507 19 H 0.6048 1.8713 -1.3517 H 1 UNL1 0.1859 20 H -1.5955 1.2402 0.9080 H 1 UNL1 0.1485 21 H -1.8900 -0.3668 1.6292 H 1 UNL1 0.1368 22 H -3.2099 -1.0778 -0.3754 H 1 UNL1 0.1715 23 H -2.7635 0.3779 -1.2545 H 1 UNL1 0.1624 24 H 2.7419 2.2469 -0.0252 H 1 UNL1 0.1505 25 H 1.7876 2.7255 1.3906 H 1 UNL1 0.1280 26 H -3.9975 1.8198 0.3690 H 1 UNL1 0.1312 27 H -4.2725 0.4487 1.4586 H 1 UNL1 0.1325 28 H 1.7442 4.1520 -1.3522 H 1 UNL1 0.1518 29 H 2.5433 4.7429 0.1071 H 1 UNL1 0.1440 30 H 0.7847 4.6382 0.0502 H 1 UNL1 0.1407 31 H -5.3855 0.6630 -1.4164 H 1 UNL1 0.1466 32 H -6.3179 0.9036 0.0673 H 1 UNL1 0.1400 33 H -5.6647 -0.6916 -0.3199 H 1 UNL1 0.1488 34 H 3.1786 0.0297 1.7433 H 1 UNL1 0.1694 35 H 4.0818 -1.4570 1.4309 H 1 UNL1 0.1943 36 H 2.3738 -1.5613 1.8517 H 1 UNL1 0.1970 @BOND 1 31 14 1 2 28 13 1 3 19 8 1 4 23 10 1 5 4 15 2 6 1 15 1 7 1 7 1 8 2 6 2 9 22 10 1 10 14 33 1 11 14 32 1 12 14 12 1 13 13 30 1 14 13 29 1 15 13 11 1 16 8 18 1 17 8 7 1 18 8 11 1 19 10 12 1 20 10 9 1 21 15 16 1 22 5 6 1 23 5 7 1 24 5 9 1 25 24 11 1 26 6 3 2 27 7 17 1 28 11 25 1 29 26 12 1 30 12 27 1 31 9 20 1 32 9 21 1 33 16 35 1 34 16 34 1 35 16 36 1