@MOLECULE (2r,5r)-2,5-hexanediamine 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.9985 -1.1230 0.8460 N.3 1 UNL1111111111 -0.6620 2 N 2.1457 -1.0978 -0.8548 N.3 1 UNL1111111111 -0.6556 3 C -0.6105 0.4380 -0.4727 C.3 1 UNL1111111111 -0.2922 4 C 0.5869 0.3727 0.4793 C.3 1 UNL1111111111 -0.3384 5 C -1.9365 0.2496 0.2957 C.3 1 UNL1111111111 0.0824 6 C 1.9224 0.2538 -0.2914 C.3 1 UNL1111111111 0.0822 7 C -3.1234 0.5622 -0.6361 C.3 1 UNL1111111111 -0.5081 8 C 3.0941 0.5922 0.6432 C.3 1 UNL1111111111 -0.4649 9 H -0.6215 1.4115 -0.9981 H 1 UNL1111111111 0.1411 10 H -0.5237 -0.3279 -1.2644 H 1 UNL1111111111 0.1346 11 H 0.4706 -0.4823 1.1758 H 1 UNL1111111111 0.1666 12 H 0.6017 1.2687 1.1254 H 1 UNL1111111111 0.1451 13 H -1.9609 0.9476 1.1735 H 1 UNL1111111111 0.1419 14 H 1.9220 0.9663 -1.1568 H 1 UNL1111111111 0.1363 15 H -3.1401 -0.0996 -1.5072 H 1 UNL1111111111 0.1488 16 H -4.0795 0.4518 -0.1146 H 1 UNL1111111111 0.1480 17 H -3.0751 1.5916 -1.0068 H 1 UNL1111111111 0.1545 18 H 4.0519 0.4084 0.1375 H 1 UNL1111111111 0.1611 19 H 3.0814 -0.0187 1.5512 H 1 UNL1111111111 0.1454 20 H 3.0713 1.6439 0.9423 H 1 UNL1111111111 0.1434 21 H -1.8125 -1.8211 0.1466 H 1 UNL1111111111 0.2461 22 H -2.8906 -1.3164 1.2707 H 1 UNL1111111111 0.2519 23 H 1.3764 -1.3921 -1.4336 H 1 UNL1111111111 0.2443 24 H 2.2810 -1.7870 -0.1329 H 1 UNL1111111111 0.2474 @BOND 1 1 5 1 2 1 21 1 3 1 22 1 4 2 6 1 5 2 23 1 6 2 24 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 8 1 17 6 14 1 18 7 15 1 19 7 16 1 20 7 17 1 21 8 18 1 22 8 19 1 23 8 20 1