@MOLECULE s-1-cyano-2-hydroxy-3-butene 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1808 1.6992 0.4930 O.3 1 UNL1111111111 -0.5411 2 N 2.3416 -0.8346 0.6072 N.1 1 UNL1111111111 -0.2498 3 C -0.6317 0.6816 -0.3788 C.3 1 UNL1111111111 0.1586 4 C 0.5764 0.0258 -1.0955 C.3 1 UNL1111111111 -0.3240 5 C -1.3459 -0.2966 0.5075 C.2 1 UNL1111111111 -0.1430 6 C 1.5532 -0.4493 -0.1460 C.1 1 UNL1111111111 0.1281 7 C -2.1483 -1.2465 0.0341 C.2 1 UNL1111111111 -0.3180 8 H -1.3176 1.1458 -1.1267 H 1 UNL1111111111 0.1315 9 H 0.2129 -0.8151 -1.7351 H 1 UNL1111111111 0.1871 10 H 1.0406 0.7543 -1.8003 H 1 UNL1111111111 0.1758 11 H -1.1512 -0.1551 1.5745 H 1 UNL1111111111 0.1785 12 H 0.3574 2.3628 0.0200 H 1 UNL1111111111 0.3171 13 H -2.6622 -1.9547 0.6689 H 1 UNL1111111111 0.1558 14 H -2.3618 -1.4000 -1.0117 H 1 UNL1111111111 0.1433 @BOND 1 1 3 1 2 1 12 1 3 2 6 3 4 3 4 1 5 3 5 1 6 3 8 1 7 4 6 1 8 4 9 1 9 4 10 1 10 5 7 2 11 5 11 1 12 7 13 1 13 7 14 1