Input orientat 1 Input orientat 1 3 3 6 -1C1 0.000000 0.000000 0.106808 1 8 O 0.000000 0.785017 -0.427232 2 1 H 0.000000 -0.785017 -0.427232 3 1 H 1 2 1 0 0 0 0 1.000000 STRETCH H 2 - O 1 1 1 3 1 0 0 0 0 1.000000 STRETCH H 3 - O 1 2 2 2 1 3 0 0 0 1.000000 BEND H 2 - O 1 - H 3 3 0 1 1 1.0 1 2 1.0 1 3 1.0