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 0.55533264 0.48232062 0.48069551 # 1 Sn 0.35802000 0.50833629 0.45660974 # 2 N1 0.62645245 0.38739618 0.40797440 # 3 N2 0.60739565 0.45582895 0.60820156 # 4 N3 0.59123670 0.61459677 0.41759654 # 5 C1 0.58147759 0.69261639 0.48412172 # 6 C2 0.67603109 0.71206409 0.52197281 # 7 C3 0.73868865 0.64229471 0.47919007 # 8 C4 0.69067223 0.61601302 0.39304170 # 9 C5 0.52844838 0.62002654 0.33788346 # 10 C6 0.32727954 0.58243595 0.51176054 # 11 C7 0.29484550 0.43493485 0.46685414 # 12 C8 0.59481536 0.52350194 0.67673515 # 13 C9 0.59086078 0.36670813 0.64323052 # 14 C10 0.71698661 0.35817593 0.42413083 # 15 C11 0.59502719 0.36617680 0.31893523 # 16 C12 0.55633869 0.75076250 0.44637339 # 17 H1 0.53158910 0.68010292 0.53647190 # 18 H2 0.69650938 0.77988093 0.50286957 # 19 H3 0.67817996 0.70954782 0.59525682 # 20 H4 0.80630966 0.66832186 0.46745142 # 21 H5 0.74532432 0.58338383 0.52286547 # 22 H6 0.71523781 0.55375989 0.36288174 # 23 H7 0.69947535 0.66907397 0.34200731 # 24 H8 0.54081836 0.68372927 0.30279026 # 25 H9 0.45803872 0.61636123 0.35801268 # 26 H10 0.54035007 0.56549591 0.29020748 # 27 H11 0.31609125 0.56675823 0.58289889 # 28 H12 0.26025730 0.60403106 0.48764130 # 29 H13 0.37133834 0.64116009 0.50821402 # 30 H14 0.22802179 0.45732701 0.44303121 # 31 H15 0.28282666 0.41411515 0.53678612 # 32 H16 0.31314328 0.37566272 0.42711282 # 33 H17 0.52672020 0.52376985 0.70565079 # 34 H18 0.60854533 0.59029114 0.64986552 # 35 H19 0.64213212 0.51178697 0.73221671 # 36 H20 0.60148516 0.31624139 0.59090948 # 37 H21 0.52229936 0.35882557 0.67028466 # 38 H22 0.63753501 0.35228359 0.69864944 # 39 H23 0.76506707 0.39606943 0.38112041 # 40 H24 0.72667066 0.28572169 0.40839690 # 41 H25 0.73523467 0.36766404 0.49481701 # 42 H26 0.52347077 0.37907392 0.31227439 # 43 H27 0.60233976 0.29446165 0.30141050 # 44 H28 0.63069369 0.40664046 0.26843781 # 45 H29 0.44006342 0.36609107 0.45119039 # 46 H30 0.46767452 0.28338824 0.49646893 # 47 H31 0.45910620 0.30541206 0.43663352 # 48 O