No title 1 20.000000 0.000000 0.000000 0.000000 15.000000 0.000000 0.000000 0.000000 15.000000 N H C Si O 1 22 7 2 4 Direct configuration= 1 0.68702129 0.46307364 0.59375700 0.71049154 0.45825490 0.65573509 0.72611392 0.44918255 0.54988038 0.15189002 0.51678025 0.36770160 0.20830000 0.60966363 0.36779607 0.22152099 0.51873410 0.29309389 0.11153986 0.54796303 0.65751038 0.15093328 0.63671255 0.59799973 0.10754303 0.55054901 0.53855710 0.42032279 0.42976567 0.29486326 0.41955970 0.33967602 0.37294198 0.34686499 0.40866122 0.35981159 0.53585622 0.27786981 0.57287452 0.53491137 0.34907876 0.47780394 0.56196494 0.39182236 0.58230705 0.24782137 0.68898918 0.50451649 0.30569579 0.66623833 0.59106237 0.33048804 0.65529463 0.47757073 0.44193678 0.62074190 0.55896076 0.45129451 0.55736434 0.65826282 0.51395283 0.55353232 0.57470059 0.32585512 0.44452973 0.64151456 0.31135068 0.37704921 0.54737293 0.32870243 0.44395512 0.56793261 0.20477860 0.53653684 0.36070372 0.13975515 0.56456719 0.59673140 0.40209393 0.40847384 0.36078631 0.52583860 0.34620663 0.54999301 0.28901337 0.64461294 0.52457361 0.45960512 0.55686721 0.58569661 0.41849092 0.45787893 0.53513094 0.26380237 0.52400088 0.52665570 0.24546476 0.49048747 0.42349248 0.19886321 0.51174630 0.59533093 0.42706083 0.46915374 0.42566674 0.45755768 0.36631266 0.57062074