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 0.66031001 0.47369744 0.59605174 0.68160526 0.47316524 0.65698643 0.69799192 0.46836193 0.55041872 0.15413176 0.51614816 0.36809802 0.21156926 0.60774190 0.36637052 0.22338106 0.51552038 0.29304381 0.11371360 0.54609071 0.65760825 0.15266706 0.63483795 0.59755568 0.10970224 0.54796126 0.53868245 0.42246673 0.42725609 0.29470922 0.42247335 0.33752723 0.37320847 0.34925637 0.40603591 0.36025535 0.53165597 0.26857107 0.57317362 0.53519842 0.35164497 0.47810521 0.60008062 0.42540122 0.59096083 0.25021914 0.68786223 0.50435734 0.30837586 0.66486785 0.59046886 0.33261919 0.65365016 0.47681468 0.44379110 0.61737105 0.55845654 0.45369889 0.55483036 0.65846932 0.51667308 0.55072981 0.57486659 0.32799567 0.44354700 0.64116662 0.31328638 0.37597888 0.54702676 0.32980849 0.44313415 0.56762484 0.20714888 0.53469807 0.36039480 0.14178139 0.56266684 0.59674958 0.40436936 0.40587230 0.36053816 0.51607767 0.33118681 0.54315805 0.29131817 0.64323022 0.52414666 0.46229565 0.55407897 0.58598664 0.41909089 0.45746754 0.53406975 0.26545266 0.52298049 0.52645061 0.24761917 0.48893745 0.42359098 0.20117066 0.51056862 0.59561252 0.42990098 0.46718655 0.42519092 0.45535911 0.36152013 0.56954108