@MOLECULE n'-(2,4-dinitrophenyl)-n-methyl-n-(2-propyn-1-yl)-1,3-propanediamine 37 37 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4893 3.0064 0.5124 O.2 1 UNL1111111111 -0.3779 2 O 0.3977 2.1468 1.0504 O.2 1 UNL1111111111 -0.4907 3 O -5.1072 -1.7900 -0.7155 O.2 1 UNL1111111111 -0.4235 4 O -5.2952 0.3448 -0.5213 O.2 1 UNL1111111111 -0.4098 5 N 4.1425 -0.7281 -0.5084 N.3 1 UNL1111111111 -0.4080 6 N 0.7973 -0.4016 0.8585 N.pl3 1 UNL1111111111 -0.4241 7 N -0.7724 2.0345 0.6761 N.pl3 1 UNL1111111111 0.6699 8 N -4.6363 -0.6832 -0.4981 N.pl3 1 UNL1111111111 0.6551 9 C 2.9924 -1.2326 1.6114 C.3 1 UNL1111111111 -0.2953 10 C 3.8958 -0.2283 0.8654 C.3 1 UNL1111111111 -0.1211 11 C 1.7062 -1.5570 0.8353 C.3 1 UNL1111111111 -0.0830 12 C -0.4857 -0.4551 0.4635 C.ar 1 UNL1111111111 0.3518 13 C 4.3585 0.3830 -1.4793 C.3 1 UNL1111111111 -0.0842 14 C 5.2941 -1.6542 -0.5426 C.3 1 UNL1111111111 -0.2819 15 C -1.3003 0.7292 0.4158 C.ar 1 UNL1111111111 -0.3043 16 C -1.1094 -1.6988 0.1059 C.ar 1 UNL1111111111 -0.3366 17 C -2.6620 0.6418 0.0957 C.ar 1 UNL1111111111 0.0865 18 C -3.2305 -0.5884 -0.1942 C.ar 1 UNL1111111111 -0.2353 19 C -2.4393 -1.7643 -0.2021 C.ar 1 UNL1111111111 0.0455 20 C 3.2087 1.2499 -1.5406 C.1 1 UNL1111111111 -0.1010 21 C 2.2537 1.9904 -1.6021 C.1 1 UNL1111111111 -0.1837 22 H 3.5460 -2.1769 1.7829 H 1 UNL1111111111 0.1531 23 H 2.7529 -0.8351 2.6173 H 1 UNL1111111111 0.1541 24 H 4.8312 -0.0668 1.4425 H 1 UNL1111111111 0.1251 25 H 3.3925 0.7642 0.8232 H 1 UNL1111111111 0.1520 26 H 1.2078 -2.4444 1.2867 H 1 UNL1111111111 0.1446 27 H 1.9639 -1.8082 -0.2276 H 1 UNL1111111111 0.1831 28 H 1.2289 0.5122 1.0491 H 1 UNL1111111111 0.3519 29 H 5.2802 0.9774 -1.2522 H 1 UNL1111111111 0.1393 30 H 4.5273 -0.0887 -2.4850 H 1 UNL1111111111 0.1646 31 H 5.1117 -2.4858 0.1576 H 1 UNL1111111111 0.1464 32 H 6.2605 -1.1933 -0.2880 H 1 UNL1111111111 0.1241 33 H 5.3715 -2.0950 -1.5512 H 1 UNL1111111111 0.1492 34 H -0.5039 -2.6018 0.0802 H 1 UNL1111111111 0.1747 35 H -3.2809 1.5585 0.0749 H 1 UNL1111111111 0.2103 36 H -2.9138 -2.7201 -0.4618 H 1 UNL1111111111 0.1815 37 H 1.4462 2.6296 -1.6470 H 1 UNL1111111111 0.1976 @BOND 1 1 7 2 2 2 7 2 3 3 8 2 4 4 8 2 5 5 10 1 6 5 13 1 7 5 14 1 8 6 11 1 9 6 12 1 10 6 28 1 11 7 15 1 12 8 18 1 13 9 10 1 14 9 11 1 15 9 22 1 16 9 23 1 17 10 24 1 18 10 25 1 19 11 26 1 20 11 27 1 21 12 15 ar 22 12 16 ar 23 13 20 1 24 13 29 1 25 13 30 1 26 14 31 1 27 14 32 1 28 14 33 1 29 15 17 ar 30 16 19 ar 31 16 34 1 32 17 18 ar 33 17 35 1 34 18 19 ar 35 19 36 1 36 20 21 3 37 21 37 1