# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2S7' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C -6.83100 1.31600 0.66200 1.000 C1 C -8.18400 1.07700 0.56200 1.000 C2 C -8.64200 -0.10900 -0.01800 1.000 C3 C -10.04700 -0.36100 -0.12400 1.000 N4 N -11.16300 -0.56000 -0.20900 1.000 C5 C -7.72300 -1.04900 -0.49300 1.000 C6 C -6.37200 -0.80300 -0.38900 1.000 C7 C -5.92200 0.37800 0.18800 1.000 O8 O -4.58900 0.61900 0.28400 1.000 C9 C -3.71000 -0.38700 -0.22300 1.000 C10 C -2.25900 0.05800 -0.02800 1.000 C11 C -1.31800 -1.01900 -0.57100 1.000 N12 N 0.07500 -0.59100 -0.38400 1.000 C13 C 0.99900 -1.48000 -1.10000 1.000 C14 C 2.42200 -0.92300 -1.00500 1.000 C15 C 0.41400 -0.51000 1.04200 1.000 C16 C 1.81900 0.07600 1.20100 1.000 C17 C 2.82500 -0.81600 0.46900 1.000 C18 C 4.22300 -0.20400 0.57300 1.000 C19 C 5.20200 -1.01900 -0.27400 1.000 C20 C 6.64000 -0.46300 -0.12700 1.000 C21 C 7.51800 -1.68300 -0.49900 1.000 C22 C 6.77200 -2.88700 0.11300 1.000 C23 C 5.30000 -2.46500 0.25600 1.000 O24 O 4.64800 -0.21600 1.93700 1.000 C25 C 4.18700 1.21700 0.07100 1.000 N26 N 4.27500 1.45300 -1.22300 1.000 C27 C 4.24800 2.68000 -1.70800 1.000 C28 C 4.12600 3.76900 -0.86700 1.000 C29 C 4.03100 3.56000 0.50100 1.000 C30 C 4.05700 2.25700 0.97200 1.000 H31 H -6.47700 2.23400 1.10600 1.000 H32 H -8.89000 1.80700 0.93100 1.000 H33 H -8.07300 -1.96800 -0.94100 1.000 H34 H -5.66200 -1.53000 -0.75600 1.000 H35 H -3.87800 -1.32100 0.31400 1.000 H36 H -3.90400 -0.53800 -1.28500 1.000 H37 H -2.09100 0.99200 -0.56500 1.000 H38 H -2.06500 0.20900 1.03300 1.000 H39 H -1.48600 -1.95200 -0.03500 1.000 H40 H -1.51200 -1.17000 -1.63300 1.000 H41 H 0.96700 -2.47300 -0.65300 1.000 H42 H 0.70400 -1.54400 -2.14700 1.000 H43 H 3.10900 -1.59200 -1.52300 1.000 H44 H 2.45800 0.06400 -1.46500 1.000 H45 H -0.30600 0.13100 1.55100 1.000 H46 H 0.38500 -1.50800 1.48000 1.000 H47 H 1.84500 1.07900 0.77600 1.000 H48 H 2.07600 0.12100 2.26000 1.000 H49 H 2.82800 -1.80900 0.91900 1.000 H50 H 4.89400 -1.01600 -1.32000 1.000 H51 H 6.80800 0.36100 -0.82200 1.000 H52 H 6.82800 -0.14600 0.89800 1.000 H53 H 7.58700 -1.78700 -1.58200 1.000 H54 H 8.51100 -1.58600 -0.06100 1.000 H55 H 6.85100 -3.75000 -0.54800 1.000 H56 H 7.18900 -3.12600 1.09100 1.000 H57 H 5.00200 -2.49900 1.30400 1.000 H58 H 4.66300 -3.12300 -0.33500 1.000 H59 H 4.07300 0.28300 2.53300 1.000 H60 H 4.32300 2.83400 -2.77400 1.000 H61 H 4.10500 4.77100 -1.27000 1.000 H62 H 3.93400 4.39300 1.18200 1.000 H63 H 3.98100 2.05700 2.03100 1.000