 Ca H C Cl O
   1.0
     9.7643900099999996    0.0000000000000000    0.0563088600000000
     0.0000000000000000    7.2489754800000004    0.0000000000000000
    -4.5801039599999998    0.0000000000000000    5.1800205200000002
 Ca H C Cl O
   4   8   4   4  12
Direct
   0.3654575300000000  0.5000000000000000  0.6177971200000000
   0.1345424700000000  0.0000000000000000  0.3822028800000000
   0.8654575300000000  0.0000000000000000  0.6177971200000000
   0.6345424700000000  0.5000000000000000  0.3822028800000000
   0.0936822100000000  0.7216156400000000  0.0328141200000000
   0.4063177900000000  0.2216156400000000  0.9671858800000001
   0.4063177900000000  0.7783843600000000  0.9671858800000001
   0.0936822100000000  0.2783843600000000  0.0328141200000000
   0.5936822100000000  0.2216156400000000  0.0328141200000000
   0.9063177900000000  0.7216156400000000  0.9671858800000001
   0.9063177900000000  0.2783843600000000  0.9671858800000001
   0.5936822100000000  0.7783843600000000  0.0328141200000000
   0.5000000000000000  0.8933800700000000  0.5000000000000000
   0.0000000000000000  0.6066199299999999  0.5000000000000000
   0.0000000000000000  0.3933800700000000  0.5000000000000000
   0.5000000000000000  0.1066199300000000  0.5000000000000000
   0.2385815800000000  0.0000000000000000  0.8801021900000000
   0.2614184200000000  0.5000000000000000  0.1198978100000000
   0.7385815800000000  0.5000000000000000  0.8801021900000000
   0.7614184200000000  0.0000000000000000  0.1198978100000000
   0.6125156400000000  0.8153392699999999  0.4931056600000000
   0.3874843600000000  0.8153392699999999  0.5068943400000000
   0.8874843600000000  0.6846607300000001  0.5068943400000000
   0.1125156400000000  0.6846607300000001  0.4931056600000000
   0.5000000000000000  0.3074216900000000  0.0000000000000000
   0.5000000000000000  0.6925783100000000  0.0000000000000000
   0.1125156400000000  0.3153392700000000  0.4931056600000000
   0.8874843600000000  0.3153392700000000  0.5068943400000000
   0.3874843600000000  0.1846607300000000  0.5068943400000000
   0.6125156400000000  0.1846607300000000  0.4931056600000000
   0.0000000000000000  0.8074216900000000  0.0000000000000000
   0.0000000000000000  0.1925783100000000  0.0000000000000000