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 0.68211324 0.46190405 0.59520928 0.70264518 0.46567261 0.65564860 0.71996087 0.45884887 0.54978576 0.15248131 0.51671162 0.36745142 0.20913277 0.60905863 0.36725066 0.22203727 0.51792457 0.29306980 0.11189727 0.54758386 0.65750374 0.15128178 0.63626624 0.59788050 0.10794668 0.55003200 0.53859707 0.42097695 0.42885812 0.29457954 0.42059821 0.33894346 0.37287713 0.34751222 0.40757279 0.35959130 0.52932863 0.26903014 0.57310081 0.53361427 0.35152730 0.47880164 0.59237269 0.42022053 0.59164247 0.24861763 0.68898533 0.50446405 0.30642792 0.66577277 0.59091132 0.33106703 0.65463189 0.47740988 0.44223622 0.61780722 0.55848136 0.45189313 0.55532273 0.65858167 0.51491547 0.55097928 0.57504032 0.32614004 0.44465511 0.64119147 0.31126778 0.37690912 0.54723276 0.32786964 0.44408283 0.56764554 0.20535059 0.53607926 0.36044704 0.14006817 0.56420212 0.59674252 0.40262724 0.40735611 0.36023977 0.51484396 0.33258925 0.54444677 0.28958723 0.64424183 0.52445848 0.46054677 0.55446831 0.58611808 0.41721553 0.45791757 0.53406267 0.26363114 0.52402774 0.52644316 0.24585595 0.49017626 0.42349674 0.19919660 0.51161912 0.59537657 0.42790377 0.46849052 0.42519201 0.45309489 0.36185774 0.56893775