@MOLECULE (4s)-5,6-heptadiene-1,4-diamine 23 22 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.7454 -2.1613 0.1589 N.3 1 UNL1111111111 -0.6574 2 N 3.6026 1.1300 0.0378 N.3 1 UNL1111111111 -0.6430 3 C 0.5557 -1.1610 -0.0538 C.3 1 UNL1111111111 -0.3387 4 C 1.3762 0.1028 0.2088 C.3 1 UNL1111111111 -0.2759 5 C -0.9419 -0.9291 0.2903 C.3 1 UNL1111111111 0.0916 6 C 2.8500 -0.1299 -0.1692 C.3 1 UNL1111111111 -0.1022 7 C -1.5185 0.1181 -0.6244 C.2 1 UNL1111111111 -0.2505 8 C -2.1760 1.1543 -0.1804 C.1 1 UNL1111111111 0.0627 9 C -2.8394 2.1920 0.2359 C.2 1 UNL1111111111 -0.3751 10 H 0.6562 -1.4688 -1.1106 H 1 UNL1111111111 0.1435 11 H 0.9495 -1.9991 0.5497 H 1 UNL1111111111 0.1382 12 H 1.2925 0.4077 1.2682 H 1 UNL1111111111 0.1387 13 H 0.9778 0.9570 -0.3773 H 1 UNL1111111111 0.1649 14 H -1.0199 -0.6105 1.3652 H 1 UNL1111111111 0.1473 15 H 2.9275 -0.3932 -1.2479 H 1 UNL1111111111 0.1406 16 H 3.2644 -0.9848 0.4065 H 1 UNL1111111111 0.1050 17 H -1.3647 -0.0454 -1.6901 H 1 UNL1111111111 0.1715 18 H -1.4078 -2.9006 0.7524 H 1 UNL1111111111 0.2523 19 H -1.8055 -2.4851 -0.7882 H 1 UNL1111111111 0.2517 20 H 4.5678 1.0313 -0.2274 H 1 UNL1111111111 0.2446 21 H 3.5611 1.4355 0.9978 H 1 UNL1111111111 0.2448 22 H -2.3900 3.1437 0.4786 H 1 UNL1111111111 0.1717 23 H -3.9154 2.1893 0.3780 H 1 UNL1111111111 0.1736 @BOND 1 1 5 1 2 1 18 1 3 1 19 1 4 2 6 1 5 2 20 1 6 2 21 1 7 3 4 1 8 3 5 1 9 3 10 1 10 3 11 1 11 4 6 1 12 4 12 1 13 4 13 1 14 5 7 1 15 5 14 1 16 6 15 1 17 6 16 1 18 7 8 2 19 7 17 1 20 8 9 2 21 9 22 1 22 9 23 1