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 0.53934159 0.49205562 0.48187225 # 1 Sn 0.38043145 0.50064626 0.46069455 # 2 N1 0.61061381 0.39766950 0.40420990 # 3 N2 0.60104736 0.45837140 0.60522085 # 4 N3 0.58710462 0.62086125 0.42137647 # 5 C1 0.57885709 0.69866191 0.48874405 # 6 C2 0.67358497 0.71575337 0.52732413 # 7 C3 0.73485140 0.64451670 0.48516142 # 8 C4 0.68731628 0.62036086 0.39815844 # 9 C5 0.52704433 0.63065175 0.33980472 # 10 C6 0.33812371 0.57484536 0.50940450 # 11 C7 0.32072892 0.42312985 0.46970205 # 12 C8 0.59171355 0.52416131 0.67637044 # 13 C9 0.58427708 0.36871413 0.63942569 # 14 C10 0.70093342 0.36394582 0.41959751 # 15 C11 0.58046510 0.37814436 0.31416007 # 16 C12 0.55485610 0.75780186 0.45203550 # 17 H1 0.52896561 0.68594992 0.54099970 # 18 H2 0.69582792 0.78301806 0.50827455 # 19 H3 0.67506295 0.71335653 0.60062566 # 20 H4 0.80343751 0.66872553 0.47495198 # 21 H5 0.73889515 0.58503747 0.52826237 # 22 H6 0.71141400 0.55837862 0.36718679 # 23 H7 0.69826537 0.67420058 0.34826859 # 24 H8 0.54178593 0.69488568 0.30674888 # 25 H9 0.45606164 0.62860793 0.35792770 # 26 H10 0.53844873 0.57699840 0.29097666 # 27 H11 0.32356282 0.56150731 0.58050535 # 28 H12 0.27126143 0.58853729 0.48015062 # 29 H13 0.37590339 0.63765805 0.50538140 # 30 H14 0.25405469 0.44008133 0.44147947 # 31 H15 0.30580902 0.40414476 0.53961510 # 32 H16 0.34465702 0.36376108 0.43362968 # 33 H17 0.52457572 0.52478705 0.70748354 # 34 H18 0.60591820 0.59149200 0.65110084 # 35 H19 0.64037494 0.51042626 0.73029697 # 36 H20 0.59378068 0.31870602 0.58645302 # 37 H21 0.51636217 0.36056702 0.66791243 # 38 H22 0.63191165 0.35274004 0.69375860 # 39 H23 0.74933655 0.40161111 0.37740618 # 40 H24 0.70942833 0.29217073 0.40065602 # 41 H25 0.72196853 0.36990137 0.48971678 # 42 H26 0.50874064 0.39138119 0.30755548 # 43 H27 0.58883038 0.30696568 0.29519552 # 44 H28 0.61690672 0.41987561 0.26525678 # 45 H29 0.48263989 0.32990725 0.44016659 # 46 H30 0.48089332 0.24975983 0.49585857 # 47 H31 0.47608668 0.26519159 0.43306841 # 48 O