@MOLECULE 2-butyne-1,4-diamine 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.7454 -0.6729 0.2832 N.3 1 UNL1111111111 -0.6123 2 N 2.7444 -0.6744 -0.2823 N.3 1 UNL1111111111 -0.6124 3 C -2.0048 0.4043 -0.4116 C.3 1 UNL1111111111 -0.0772 4 C 2.0056 0.4057 0.4103 C.3 1 UNL1111111111 -0.0770 5 C -0.5927 0.4205 -0.1240 C.1 1 UNL1111111111 -0.1436 6 C 0.5931 0.4215 0.1243 C.1 1 UNL1111111111 -0.1435 7 H -2.4806 1.3821 -0.1351 H 1 UNL1111111111 0.1685 8 H -2.1875 0.2870 -1.5127 H 1 UNL1111111111 0.1676 9 H 2.1895 0.2916 1.5116 H 1 UNL1111111111 0.1676 10 H 2.4819 1.3822 0.1303 H 1 UNL1111111111 0.1685 11 H -2.6966 -0.5678 1.2846 H 1 UNL1111111111 0.2489 12 H -2.3843 -1.5819 0.0406 H 1 UNL1111111111 0.2479 13 H 2.6934 -0.5730 -1.2839 H 1 UNL1111111111 0.2489 14 H 2.3839 -1.5826 -0.0360 H 1 UNL1111111111 0.2479 @BOND 1 1 3 1 2 1 11 1 3 1 12 1 4 2 4 1 5 2 13 1 6 2 14 1 7 3 5 1 8 3 7 1 9 3 8 1 10 4 6 1 11 4 9 1 12 4 10 1 13 5 6 3