No title 1.0 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 Sn C N H O 1 9 3 27 1 Direct 0.47009451 0.60821343 0.47388543 # 1 Sn 0.34157670 0.66451345 0.48465557 # 2 C 0.50837713 0.73770083 0.32053617 # 3 C1 0.55015791 0.58202690 0.28100399 # 4 C2 0.57239370 0.66733401 0.67520651 # 5 C3 0.50653915 0.51723993 0.70215017 # 6 C4 0.56772255 0.42635556 0.47624180 # 7 C5 0.40291689 0.41913461 0.42469078 # 8 C6 0.29998219 0.62314022 0.56625897 # 9 C7 0.27989952 0.65920685 0.40478613 # 10 C8 0.48214903 0.48104541 0.47826705 # 11 N2 0.56091942 0.57503545 0.64310931 # 12 N3 0.51595234 0.65077061 0.35926960 # 13 N4 0.48482207 0.77792877 0.37537213 # 14 H1 0.45815566 0.73580214 0.26615429 # 15 H2 0.57144610 0.76463707 0.29484758 # 16 H3 0.52538503 0.61329323 0.22248508 # 17 H4 0.53645813 0.51308819 0.26742953 # 18 H5 0.62022646 0.58454346 0.27018464 # 19 H6 0.58074819 0.69620433 0.60979531 # 20 H7 0.63407410 0.67095533 0.71270005 # 21 H8 0.51668730 0.69552000 0.71321795 # 22 H9 0.55178783 0.47564919 0.74339910 # 23 H10 0.47413583 0.47165965 0.65388715 # 24 H11 0.44976556 0.55023631 0.74713432 # 25 H12 0.61387283 0.44819460 0.42433794 # 26 H13 0.55643753 0.35400344 0.46529410 # 27 H14 0.59819149 0.43420490 0.54033747 # 28 H15 0.44388083 0.38039151 0.38065943 # 29 H16 0.35825217 0.44933246 0.38154560 # 30 H17 0.36593852 0.37250174 0.46187205 # 31 H18 0.23641998 0.65732217 0.57851121 # 32 H19 0.34439520 0.63079497 0.62386353 # 33 H20 0.28817922 0.55130756 0.55615866 # 34 H21 0.26320622 0.58937308 0.38977820 # 35 H22 0.31005114 0.69012031 0.34583476 # 36 H23 0.21736583 0.69583354 0.41986796 # 37 H24 0.62872849 0.66433043 0.47109977 # 38 H25 0.67876372 0.57487947 0.61941890 # 39 H26 0.35661244 0.73475367 0.49745750 # 40 H27 0.68757755 0.67168483 0.44925847 # 41 O