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WCl4CHCH2CH3HC.PCM file:
{PCM cl4wchch2ch3 carbene complex a-h coord                    
NA  14
FL EINT4 UV1 
AT 1,59:-1.81551,1.66775,1.50167 B  2,1 C -0.183 
AT 2,31:-1.70978,-0.56696,0.67395 B  1,1  3,1  4,2  5,1  6,1 C 0.063 
AT 3,59:-2.01206,-2.78865,-0.13979 B  2,1 C -0.183 
AT 4,2:0.14921,-0.55662,0.42320 B  2,2  7,1  9,1 C -0.058 
AT 5,12:-2.59850,0.22661,-1.37502 B  2,1 C 0.183 
AT 6,12:-2.28629,-1.34107,2.84327 B  2,1 C 0.183 
AT 7,33:1.30412,-0.26410,-0.48608 B  4,1  8,1  10,1  11,1 C -0.042 
AT 8,1:1.37456,1.23282,-0.80148 B  7,1  12,1  13,1  14,1 
AT 9,32:0.01090,-0.92682,1.45583 B  4,1 C 0.038 
AT 10,5:2.24382,-0.60545,0.00715 B  7,1 
AT 11,5:1.16454,-0.85341,-1.42189 B  7,1 
AT 12,5:2.23484,1.45268,-1.47530 B  8,1 
AT 13,5:1.50465,1.82877,0.13149 B  8,1 
AT 14,5:0.44296,1.57661,-1.30783 B  8,1 
}

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Modified: Tue Sep 22 14:30:10 1998 GMT
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