http://www.ccl.net/cca/software/X-WINDOW/xbsa/xbsa/examples/ch4.shtml |
CCL ch4 | ||||
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* Saved Tue Nov 14 13:45:05 1995 from ../xbs-bw/ch4.bs atom C 0.000 0.000 0.000 atom H 1.155 1.155 1.155 atom H -1.155 -1.155 1.155 atom H 1.155 -1.155 -1.155 atom H -1.155 1.155 -1.155 spec C 1.000 0.7 spec H 0.700 1.00 bonds C C 0.000 4.000 0.109 1.00 bonds C H 0.000 3.400 0.109 1.00 bonds H H 0.000 2.800 0.109 1.00 tmat 1.000 0.000 0.000 0.000 1.000 0.000 0.000 0.000 1.000 dist 12.000 inc 5.000 scale 20.000 rfac 1.00 bfac 1.00 pos 0.000 0.000 switches 1 0 1 0 0 1 1 0 0 |
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