@MOLECULE (4s)-5-hexyne-1,4-diamine 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.4022 -1.4441 -0.0159 N.3 1 UNL1111111111 -0.6400 2 N 3.5081 0.5003 0.1561 N.3 1 UNL1111111111 -0.6482 3 C -0.0436 -0.8050 -0.2947 C.3 1 UNL1111111111 -0.2836 4 C 1.1083 -0.0037 0.3116 C.3 1 UNL1111111111 -0.2850 5 C -1.3844 -0.4443 0.3925 C.3 1 UNL1111111111 0.0851 6 C 2.4331 -0.3632 -0.3844 C.3 1 UNL1111111111 -0.0984 7 C -1.7748 0.9106 0.0616 C.1 1 UNL1111111111 -0.1346 8 C -2.1038 2.0406 -0.2191 C.1 1 UNL1111111111 -0.1968 9 H -0.1144 -0.6223 -1.3826 H 1 UNL1111111111 0.1449 10 H 0.1329 -1.8936 -0.1771 H 1 UNL1111111111 0.1602 11 H 0.9240 1.0859 0.2058 H 1 UNL1111111111 0.1643 12 H 1.1834 -0.1889 1.3987 H 1 UNL1111111111 0.1389 13 H -1.2607 -0.5488 1.5112 H 1 UNL1111111111 0.1629 14 H 2.3550 -0.1605 -1.4761 H 1 UNL1111111111 0.1412 15 H 2.6473 -1.4463 -0.2664 H 1 UNL1111111111 0.1070 16 H -2.5387 -1.4556 -1.0140 H 1 UNL1111111111 0.2510 17 H -3.2900 -1.2751 0.4295 H 1 UNL1111111111 0.2526 18 H 4.3907 0.3231 -0.2919 H 1 UNL1111111111 0.2460 19 H 3.6178 0.3876 1.1495 H 1 UNL1111111111 0.2455 20 H -2.3807 3.0021 -0.4569 H 1 UNL1111111111 0.1873 @BOND 1 1 5 1 2 1 16 1 3 1 17 1 4 2 6 1 5 2 18 1 6 2 19 1 7 3 4 1 8 3 5 1 9 3 9 1 10 3 10 1 11 4 6 1 12 4 11 1 13 4 12 1 14 5 7 1 15 5 13 1 16 6 14 1 17 6 15 1 18 7 8 3 19 8 20 1