@MOLECULE isobutyl carbamimidothioate 20 19 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.7327 -1.0069 0.6298 S.3 1 UNL1111111111 -0.0853 2 N 2.6751 -0.0343 -0.9299 N.pl3 1 UNL1111111111 -0.6192 3 N 1.5384 1.6528 0.1566 N.2 1 UNL1111111111 -0.6376 4 C -1.6285 0.2521 -0.3031 C.3 1 UNL1111111111 -0.0629 5 C -0.9097 -0.2600 0.9515 C.3 1 UNL1111111111 -0.3283 6 C -2.0948 -0.9022 -1.1943 C.3 1 UNL1111111111 -0.4534 7 C -2.8378 1.0938 0.1304 C.3 1 UNL1111111111 -0.4554 8 C 1.6642 0.4015 -0.0845 C.2 1 UNL1111111111 0.3739 9 H -0.9432 0.9100 -0.8953 H 1 UNL1111111111 0.1425 10 H -0.8070 0.5488 1.6980 H 1 UNL1111111111 0.1568 11 H -1.5072 -1.0555 1.4419 H 1 UNL1111111111 0.1742 12 H -2.7686 -1.5813 -0.6602 H 1 UNL1111111111 0.1476 13 H -2.6361 -0.5285 -2.0714 H 1 UNL1111111111 0.1473 14 H -1.2553 -1.4999 -1.5667 H 1 UNL1111111111 0.1518 15 H -3.5499 0.5058 0.7195 H 1 UNL1111111111 0.1485 16 H -3.3788 1.4808 -0.7415 H 1 UNL1111111111 0.1519 17 H -2.5362 1.9575 0.7325 H 1 UNL1111111111 0.1443 18 H 3.2357 0.6746 -1.3773 H 1 UNL1111111111 0.3067 19 H 2.5588 -0.8771 -1.4562 H 1 UNL1111111111 0.3040 20 H 0.9230 2.0276 0.8485 H 1 UNL1111111111 0.2926 @BOND 1 1 5 1 2 1 8 1 3 2 8 1 4 2 18 1 5 2 19 1 6 3 8 2 7 3 20 1 8 4 5 1 9 4 6 1 10 4 7 1 11 4 9 1 12 5 10 1 13 5 11 1 14 6 12 1 15 6 13 1 16 6 14 1 17 7 15 1 18 7 16 1 19 7 17 1