{ s_m_m2io_version ::: 2.0.0 } f_m_ct { s_m_title i_m_ct_stereo_status s_st_Chirality_1 s_st_Chirality_2 i_m_ct_format ::: Untitled_Molecule_000001 1 5_R_4_7_6 10_R_9_11_13 2 m_depend[2] { # First column is dependency index # i_m_depend_dependency s_m_depend_property ::: 1 10 s_st_Chirality_1 2 10 s_st_Chirality_2 ::: } m_atom[27] { # First column is atom index # i_m_mmod_type r_m_x_coord r_m_y_coord r_m_z_coord i_m_residue_number i_m_color i_m_atomic_number i_sd_original_parity ::: 1 5 -2.791812 1.972102 0.000000 900 2 6 <> 2 2 -1.665230 2.611009 0.000000 900 2 6 <> 3 15 -1.657448 3.908277 0.000000 900 70 8 <> 4 29 -0.545392 1.956279 0.000000 900 43 7 <> 5 4 0.581190 2.599076 0.000000 900 2 6 2 6 6 0.587415 3.895826 0.000000 900 2 6 <> 7 2 1.701806 1.945643 0.000000 900 2 6 <> 8 15 2.827350 2.589997 0.000000 900 70 8 <> 9 29 1.697396 0.648634 0.000000 900 43 7 <> 10 4 2.818789 -0.002724 0.000000 900 2 6 1 11 7 3.943815 0.642409 0.000000 900 2 6 <> 12 15 3.947187 1.939418 0.000000 900 70 8 <> 13 5 2.813342 -1.301289 0.000000 900 2 6 <> 14 2 1.701027 -1.938120 0.000000 900 2 6 <> 15 7 1.673531 -3.242393 0.000000 900 2 6 <> 16 7 0.553174 -3.908277 0.000000 900 2 6 <> 17 2 -0.565366 -3.229682 0.000000 900 2 6 <> 18 17 -1.702843 -3.880002 0.000000 900 70 8 <> 19 7 0.559919 -1.298436 0.000000 900 2 6 <> 20 2 -0.582746 -1.925410 0.000000 900 2 6 <> 21 2 -1.688835 -1.280018 0.000000 900 2 6 <> 22 7 -1.659004 0.022179 0.000000 900 2 6 <> 23 2 -2.814120 -1.949015 0.000000 900 2 6 <> 24 17 -2.819827 -3.232795 0.000000 900 70 8 <> 25 7 -3.930326 -1.271458 0.000000 900 2 6 <> 26 7 -3.947187 0.030999 0.000000 900 2 6 <> 27 2 -2.798815 0.659529 0.000000 900 2 6 <> ::: } m_bond[31] { # First column is bond index # i_m_from i_m_to i_m_order i_sd_original_parity ::: 1 1 27 1 <> 2 1 2 1 <> 3 2 3 2 <> 4 2 4 1 <> 5 4 5 1 <> 6 5 6 1 6 7 5 7 1 <> 8 6 5 1 6 9 7 8 2 <> 10 7 9 1 <> 11 9 10 1 <> 12 10 11 1 1 13 10 13 1 <> 14 11 10 1 1 15 11 12 2 <> 16 13 14 1 <> 17 14 15 2 <> 18 14 19 1 <> 19 15 16 1 <> 20 16 17 2 <> 21 17 20 1 <> 22 17 18 1 <> 23 19 20 2 <> 24 20 21 1 <> 25 21 22 2 <> 26 21 23 1 <> 27 22 27 1 <> 28 23 24 1 <> 29 23 25 2 <> 30 25 26 1 <> 31 26 27 2 <> ::: } }