C 0.759300 -0.512700 -0.001500 C 1.143900 0.746900 0.066400 C -1.144000 0.734500 0.066200 C -0.745800 -0.520800 -0.001700 C -2.678700 0.872900 0.073900 C -3.264600 -0.343800 0.002500 H -3.211100 1.797700 0.152800 C 2.677000 0.902000 0.074600 H 3.199200 1.834100 0.133200 C 3.275400 -0.302600 0.003500 S 2.090300 -1.660700 -0.028800 S -2.064200 -1.683300 -0.029300 N -0.005200 1.689300 -0.110600 C -0.053700 3.158000 -0.070000 H 0.708600 3.557700 -0.705600 H -1.012000 3.492700 -0.408300 H 0.107100 3.492500 0.933600 ~0 -4.539900 -0.510000 0.192300 ~1 4.554000 -0.447900 0.188400 1 2 2 1 4 1 1 11 1 2 8 1 2 13 1 3 4 2 3 5 1 3 13 1 4 12 1 5 6 2 5 7 1 6 12 1 6 18 1 8 9 1 8 10 2 10 11 1 10 19 1 13 14 1 14 15 1 14 16 1 14 17 1