@MOLECULE 2-[(diaminomethylene)amino]ethyl carbamimidothioate 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -1.2515 0.5677 0.0436 S.3 1 UNL1111111111 0.0536 2 N 1.7641 0.0338 -0.3270 N.pl3 1 UNL1111111111 -0.5744 3 N 3.7341 1.2703 -0.4607 N.pl3 1 UNL1111111111 -0.6245 4 N 3.7552 -0.6827 0.8816 N.pl3 1 UNL1111111111 -0.6769 5 N -3.8706 1.0583 0.4013 N.pl3 1 UNL1111111111 -0.7008 6 N -3.2655 -1.1878 -0.1427 N.2 1 UNL1111111111 -0.6826 7 C 0.9411 -1.1212 -0.0144 C.3 1 UNL1111111111 -0.0696 8 C -0.4201 -0.8988 -0.6813 C.3 1 UNL1111111111 -0.3040 9 C 3.0028 0.1545 0.0287 C.cat 1 UNL1111111111 0.5139 10 C -2.9752 0.0395 0.1032 C.2 1 UNL1111111111 0.3695 11 H 1.3816 -2.0678 -0.4055 H 1 UNL1111111111 0.1266 12 H 0.8269 -1.2549 1.0881 H 1 UNL1111111111 0.1429 13 H -0.3000 -0.7245 -1.7665 H 1 UNL1111111111 0.1744 14 H -1.0592 -1.8008 -0.5685 H 1 UNL1111111111 0.1979 15 H 3.1779 1.8987 -1.0299 H 1 UNL1111111111 0.2996 16 H 4.2608 1.7701 0.2381 H 1 UNL1111111111 0.2819 17 H 4.7569 -0.6390 0.8122 H 1 UNL1111111111 0.2949 18 H 3.4177 -1.6197 1.0101 H 1 UNL1111111111 0.2902 19 H -4.8348 0.8546 0.5578 H 1 UNL1111111111 0.2980 20 H -3.5768 1.9836 0.6280 H 1 UNL1111111111 0.3127 21 H -4.2056 -1.5331 -0.1322 H 1 UNL1111111111 0.2770 @BOND 1 1 8 1 2 1 10 1 3 2 7 1 4 2 9 2 5 3 9 1 6 3 15 1 7 3 16 1 8 4 9 1 9 4 17 1 10 4 18 1 11 5 10 1 12 5 19 1 13 5 20 1 14 6 10 2 15 6 21 1 16 7 8 1 17 7 11 1 18 7 12 1 19 8 13 1 20 8 14 1