No title 1.0 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 0.00000000 0.00000000 0.00000000 15.00000000 Sn N C H O 1 3 12 31 1 Direct 0.57755280 0.46203173 0.47959698 # 1 Sn 0.31632755 0.51906382 0.45294936 # 2 N1 0.64489504 0.36003491 0.41981436 # 3 N2 0.61784965 0.45147930 0.61149643 # 4 N3 0.59640912 0.59810633 0.41304388 # 5 C1 0.58587779 0.68003902 0.47538311 # 6 C2 0.68020560 0.70437325 0.51114724 # 7 C3 0.74507571 0.63733531 0.46728717 # 8 C4 0.69506436 0.60530334 0.38419424 # 9 C5 0.53119789 0.59863805 0.33479816 # 10 C6 0.31004052 0.59289924 0.51523696 # 11 C7 0.24264085 0.45686519 0.46128929 # 12 C8 0.60043845 0.52203975 0.67613887 # 13 C9 0.60227991 0.36356740 0.64991458 # 14 C10 0.73879272 0.34564212 0.43563465 # 15 C11 0.61677027 0.34084450 0.32913969 # 16 C12 0.55977301 0.73589275 0.43467651 # 17 H1 0.53673263 0.66997771 0.52876816 # 18 H2 0.69746002 0.77319478 0.49215542 # 19 H3 0.68407059 0.70180452 0.58434770 # 20 H4 0.81044826 0.66709089 0.45204625 # 21 H5 0.75748133 0.58044849 0.51225508 # 22 H6 0.72279563 0.54421881 0.35458972 # 23 H7 0.69902665 0.65738682 0.33163363 # 24 H8 0.53937804 0.66132487 0.29654511 # 25 H9 0.46123446 0.59428271 0.35659930 # 26 H10 0.54392380 0.54298958 0.28866608 # 27 H11 0.30372316 0.57325741 0.58510515 # 28 H12 0.24917956 0.62478505 0.49763838 # 29 H13 0.36338910 0.64262166 0.50932042 # 30 H14 0.18225426 0.49339587 0.44512464 # 31 H15 0.23619100 0.43190228 0.53037740 # 32 H16 0.25138075 0.39968698 0.41488580 # 33 H17 0.53100767 0.52182274 0.70190212 # 34 H18 0.61395566 0.58811624 0.64743943 # 35 H19 0.64505748 0.51396455 0.73452871 # 36 H20 0.61575824 0.31145905 0.59993961 # 37 H21 0.53311326 0.35487186 0.67483025 # 38 H22 0.64777436 0.35268154 0.70697451 # 39 H23 0.78232240 0.38498578 0.39020866 # 40 H24 0.75384323 0.27403618 0.42557167 # 41 H25 0.75497650 0.36324554 0.50516760 # 42 H26 0.54481622 0.35347430 0.32180640 # 43 H27 0.62816088 0.26963387 0.31441008 # 44 H28 0.65311651 0.38071659 0.27838244 # 45 H29 0.37351533 0.48475042 0.46258177 # 46 H30 0.46628670 0.33820977 0.48661999 # 47 H31 0.45889345 0.39612974 0.45796979 # 48 O