@MOLECULE cadaverine 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 N -3.7836 -0.2694 -0.0035 N.3 1 UNL11111111 -0.6385 2 N 3.7834 -0.2694 -0.0018 N.3 1 UNL11111111 -0.6390 3 C -0.0001 0.4786 0.0011 C.3 1 UNL11111111 -0.2622 4 C -1.2608 -0.3915 0.0015 C.3 1 UNL11111111 -0.3267 5 C 1.2608 -0.3914 0.0038 C.3 1 UNL11111111 -0.3267 6 C -2.5231 0.4950 0.0018 C.3 1 UNL11111111 -0.1005 7 C 2.5232 0.4948 -0.0023 C.3 1 UNL11111111 -0.1003 8 H -0.0009 1.1472 0.8837 H 1 UNL11111111 0.1404 9 H 0.0010 1.1443 -0.8836 H 1 UNL11111111 0.1404 10 H -1.2644 -1.0566 0.8840 H 1 UNL11111111 0.1401 11 H -1.2647 -1.0564 -0.8811 H 1 UNL11111111 0.1401 12 H 1.2634 -1.0612 -0.8752 H 1 UNL11111111 0.1401 13 H 1.2660 -1.0514 0.8903 H 1 UNL11111111 0.1401 14 H -2.5242 1.1644 -0.8863 H 1 UNL11111111 0.1425 15 H -2.5280 1.1591 0.8942 H 1 UNL11111111 0.1425 16 H 2.5283 1.1662 0.8845 H 1 UNL11111111 0.1425 17 H 2.5244 1.1578 -0.8956 H 1 UNL11111111 0.1424 18 H -3.8752 -0.8513 0.8124 H 1 UNL11111111 0.2457 19 H -3.8707 -0.8469 -0.8230 H 1 UNL11111111 0.2457 20 H 3.8727 -0.8510 -0.8181 H 1 UNL11111111 0.2458 21 H 3.8752 -0.8462 0.8175 H 1 UNL11111111 0.2458 @BOND 1 17 7 1 2 14 6 1 3 9 3 1 4 11 4 1 5 12 5 1 6 19 1 1 7 20 2 1 8 1 6 1 9 1 18 1 10 7 2 1 11 7 5 1 12 7 16 1 13 2 21 1 14 3 4 1 15 3 5 1 16 3 8 1 17 4 6 1 18 4 10 1 19 6 15 1 20 5 13 1