 Ca H C O
   1.0
    10.4199044999999995    0.0000000000000000    0.0000000000000000
    -5.2099522399999998    9.0239020100000005    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.4933950700000000
 Ca H C O
   9  18   9  36
Direct
   0.0910483200000000  0.1853942500000000  0.3288194200000000
   0.7679809000000000  0.5191324300000000  0.3544316200000000
   0.4248596700000000  0.8521908200000000  0.3422087300000000
   0.7511515300000000  0.2320191000000000  0.0210982800000000
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   0.1478091800000000  0.5726688200000001  0.6755420700000000
   0.8146057500000000  0.9056540900000000  0.6621527500000000
   0.4273311800000000  0.5751403300000000  0.0088754000000000
   0.0943459100000000  0.9089516800000000  0.9954860900000000
   0.1222434600000000  0.3354263500000000  0.9257550600000000
   0.8867344900000000  0.2187917400000000  0.5828140900000001
   0.3341909000000000  0.2138904600000000  0.0880220200000000
   0.2180591400000000  0.3305331800000000  0.7629158700000001
   0.4620992100000000  0.4580322600000000  0.4266415500000000
   0.2131829100000000  0.8777565400000000  0.5924217300000000
   0.7861095400000000  0.1203004300000000  0.4213553600000000
   0.6645736500000000  0.7868170900000000  0.2590883900000000
   0.5419677400000000  0.0040669400000000  0.7599748800000000
   0.1124740100000000  0.7819408600000000  0.4295825400000000
   0.8796995700000000  0.6658090999999999  0.7546886900000001
   0.5561956800000001  0.5602885900000000  0.5891526400000000
   0.3320572700000000  0.1132655100000000  0.2494807600000000
   0.7812082600000000  0.6679427300000000  0.9161474200000000
   0.6694668200000000  0.8875259900000000  0.0962492100000000
   0.4397114100000000  0.9959071000000000  0.9224859700000000
   0.0040929000000000  0.4438043200000000  0.2558193100000000
   0.9959330600000000  0.5379007900000000  0.0933082100000000
   0.5086915500000000  0.7681740699999999  0.7150199500000001
   0.2318259300000000  0.7405174900000000  0.0483532800000000
   0.8425561900000000  0.4284897300000000  0.7274786900000000
   0.1766078600000000  0.0805896800000000  0.6277679700000001
   0.5859335400000000  0.1574438100000000  0.3941453600000000
   0.5715102700000000  0.4140664600000000  0.0608120200000000
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   0.5680289100000000  0.8853201200000000  0.6140262000000001
   0.2356337700000000  0.0235752000000000  0.7308799699999999
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   0.8691260600000000  0.1342995600000000  0.5035691500000000
   0.9417217500000000  0.9431087400000000  0.2084258800000000
   0.2730332000000000  0.6599950600000000  0.1314747300000000
   0.4435510800000000  0.0881056200000000  0.4187267300000000
   0.6445545500000001  0.5564489200000000  0.0853933900000000
   0.2463439100000000  0.2235929000000000  0.6031392799999999
   0.3869618600000000  0.7269668000000000  0.7981414000000000
   0.6431883100000000  0.0967314100000000  0.2929189500000000
   0.4535431100000000  0.3568116900000000  0.9595856200000000
   0.2051775100000000  0.4008281400000000  0.8423578899999999
   0.3172912400000000  0.4319710900000000  0.2806928600000000
   0.1165700600000000  0.4200032700000000  0.4083085500000000
   0.9322830100000000  0.4580068200000000  0.1807789000000000
   0.1956506400000000  0.7948224900000000  0.5090245600000001
   0.7217850500000000  0.3903677700000000  0.8112012399999999
   0.5991718600000000  0.8043493600000000  0.1756912200000000
   0.3034331900000000  0.8834299400000000  0.0749752200000000
   0.6685827400000000  0.2782149500000000  0.4778679000000000
   0.6096322300000000  0.3314172600000000  0.1445345700000000
   0.9772490000000000  0.7536560900000000  0.2698059400000000
   0.5799967300000000  0.6965668100000000  0.7416418800000000
   0.9118943800000000  0.3554454500000000  0.7520600600000000