@MOLECULE di-n-butylnitrosoamine 29 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.1926 1.8666 -0.8142 O.2 1 UNL1111111111 -0.3171 2 N -0.4477 1.1900 0.2633 N.pl3 1 UNL1111111111 -0.3506 3 N -0.9979 1.9033 -0.7047 N.2 1 UNL1111111111 0.2016 4 C 1.0139 1.3067 0.4137 C.3 1 UNL1111111111 -0.0666 5 C -1.1989 0.3629 1.2266 C.3 1 UNL1111111111 -0.1123 6 C 1.7345 0.0270 -0.0411 C.3 1 UNL1111111111 -0.3008 7 C -1.9918 -0.7769 0.5626 C.3 1 UNL1111111111 -0.2928 8 C 3.2529 0.2094 0.0612 C.3 1 UNL1111111111 -0.2465 9 C -1.0915 -1.8934 0.0256 C.3 1 UNL1111111111 -0.2511 10 C 3.9752 -1.0685 -0.3644 C.3 1 UNL1111111111 -0.4371 11 C -1.9317 -3.0509 -0.5147 C.3 1 UNL1111111111 -0.4370 12 H 1.3742 2.1771 -0.1868 H 1 UNL1111111111 0.1612 13 H 1.2482 1.5333 1.4779 H 1 UNL1111111111 0.1387 14 H -0.4992 -0.0498 1.9833 H 1 UNL1111111111 0.1413 15 H -1.9119 1.0308 1.7690 H 1 UNL1111111111 0.1493 16 H 1.4480 -0.2178 -1.0826 H 1 UNL1111111111 0.1562 17 H 1.4132 -0.8356 0.5719 H 1 UNL1111111111 0.1462 18 H -2.6221 -0.3758 -0.2576 H 1 UNL1111111111 0.1685 19 H -2.7029 -1.1911 1.3042 H 1 UNL1111111111 0.1448 20 H 3.5385 0.4766 1.0963 H 1 UNL1111111111 0.1332 21 H 3.5796 1.0555 -0.5738 H 1 UNL1111111111 0.1383 22 H -0.4136 -2.2577 0.8194 H 1 UNL1111111111 0.1286 23 H -0.4435 -1.4966 -0.7801 H 1 UNL1111111111 0.1403 24 H 3.7382 -1.3373 -1.4005 H 1 UNL1111111111 0.1465 25 H 5.0626 -0.9517 -0.2973 H 1 UNL1111111111 0.1407 26 H 3.6976 -1.9190 0.2683 H 1 UNL1111111111 0.1436 27 H -2.5960 -2.7183 -1.3214 H 1 UNL1111111111 0.1479 28 H -1.2969 -3.8466 -0.9197 H 1 UNL1111111111 0.1415 29 H -2.5581 -3.4938 0.2673 H 1 UNL1111111111 0.1430 @BOND 1 1 3 2 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 4 12 1 7 4 13 1 8 5 7 1 9 5 14 1 10 5 15 1 11 6 8 1 12 6 16 1 13 6 17 1 14 7 9 1 15 7 18 1 16 7 19 1 17 8 10 1 18 8 20 1 19 8 21 1 20 9 11 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1