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PM3 PRECISE XYZ C -1.985 1 -0.239 1 0.028 1 C -0.497 1 -0.173 1 0.015 1 C 0.313 1 0.942 1 -0.069 1 C 1.698 1 0.606 1 -0.052 1 C 1.897 1 -0.753 1 0.043 1 S 0.422 1 -1.615 1 0.112 1 H -2.422 1 0.762 1 -0.041 1 H -2.355 1 -0.825 1 -0.82 1 H -2.345 1 -0.699 1 0.954 1 H -0.068 1 1.954 1 -0.138 1 H 2.506 1 1.325 1 -0.108 1 H 2.838 1 -1.284 1 0.076 1 Bond info. 1 2 1 1 7 1 1 8 1 1 9 1 2 3 2 2 6 1 3 4 1 3 10 1 4 5 2 4 11 1 5 6 1 5 12 1