$coord .00000000000000 .00000000000000 .54561506935122 n -.87806233111566 1.52084856970468 -.18187168978374 h -.87806233111566 -1.52084856970468 -.18187168978374 h 1.75612466223131 .00000000000000 -.18187168978374 h $intdef # definitions of internal coordinates 1 k 1.0000000000000 stre 4 1 val= 1.90084 2 k 1.0000000000000 bend 4 3 1 val= 106.27756 1.0000000000000 bend 3 2 1 1.0000000000000 bend 2 4 1 $end