{ s_m_m2io_version ::: 2.0.0 } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: CRDGEN-172_2D_template 1 templates.1 templates templates 0 2 m_atom[36] { # 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 s_m_color_rgb ::: 1 2 5.433100 -5.999800 0.000000 9 2 6 A0A0A0 2 7 4.195900 -5.285600 0.000000 9 2 6 A0A0A0 3 7 4.195900 -3.857000 0.000000 9 2 6 A0A0A0 4 2 5.433100 -3.142700 0.000000 9 2 6 A0A0A0 5 7 6.670300 -3.857000 0.000000 9 2 6 A0A0A0 6 7 6.670300 -5.285600 0.000000 9 2 6 A0A0A0 7 7 3.208400 -6.993000 0.000000 9 2 6 A0A0A0 8 7 1.970400 -7.705800 0.000000 9 2 6 A0A0A0 9 2 1.968600 -9.134300 0.000000 9 2 6 A0A0A0 10 7 3.205000 -9.850100 0.000000 9 2 6 A0A0A0 11 7 4.443000 -9.137300 0.000000 9 2 6 A0A0A0 12 2 4.444700 -7.708700 0.000000 9 2 6 A0A0A0 13 7 -0.007200 -7.705600 0.000000 9 2 6 A0A0A0 14 7 -1.245100 -6.992600 0.000000 9 2 6 A0A0A0 15 2 -2.481500 -7.708100 0.000000 9 2 6 A0A0A0 16 7 -2.480000 -9.136700 0.000000 9 2 6 A0A0A0 17 7 -1.242100 -9.849700 0.000000 9 2 6 A0A0A0 18 2 -0.005700 -9.134100 0.000000 9 2 6 A0A0A0 19 2 -3.469800 -5.999100 0.000000 9 2 6 A0A0A0 20 7 -2.232600 -5.284900 0.000000 9 2 6 A0A0A0 21 7 -2.232500 -3.856300 0.000000 9 2 6 A0A0A0 22 2 -3.469700 -3.142000 0.000000 9 2 6 A0A0A0 23 7 -4.706900 -3.856200 0.000000 9 2 6 A0A0A0 24 7 -4.706900 -5.284800 0.000000 9 2 6 A0A0A0 25 7 -2.479600 -0.004500 0.000000 9 2 6 A0A0A0 26 2 -2.481300 -1.433100 0.000000 9 2 6 A0A0A0 27 7 -1.244900 -2.148800 0.000000 9 2 6 A0A0A0 28 7 -0.006900 -1.436000 0.000000 9 2 6 A0A0A0 29 2 -0.005200 -0.007400 0.000000 9 2 6 A0A0A0 30 7 -1.241600 0.708300 0.000000 9 2 6 A0A0A0 31 7 3.208400 -2.149200 0.000000 9 2 6 A0A0A0 32 7 1.970500 -1.436200 0.000000 9 2 6 A0A0A0 33 2 1.969100 -0.007600 0.000000 9 2 6 A0A0A0 34 7 3.205500 0.707900 0.000000 9 2 6 A0A0A0 35 7 4.443400 -0.005100 0.000000 9 2 6 A0A0A0 36 2 4.444900 -1.433700 0.000000 9 2 6 A0A0A0 ::: } m_bond[42] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 2 3 1 12 1 4 2 3 2 5 3 4 1 6 4 5 2 7 4 36 1 8 5 6 1 9 7 8 1 10 7 12 2 11 8 9 2 12 9 10 1 13 9 18 1 14 10 11 2 15 11 12 1 16 13 14 1 17 13 18 2 18 14 15 2 19 15 16 1 20 15 19 1 21 16 17 2 22 17 18 1 23 19 20 1 24 19 24 2 25 20 21 2 26 21 22 1 27 22 23 2 28 22 26 1 29 23 24 1 30 25 26 1 31 25 30 2 32 26 27 2 33 27 28 1 34 28 29 2 35 29 30 1 36 29 33 1 37 31 32 1 38 31 36 2 39 32 33 2 40 33 34 1 41 34 35 2 42 35 36 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: CRDGEN-118_template 2 templates.2 templates templates 0 2 m_atom[20] { # 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 s_m_color_rgb s_m_atom_name ::: 1 2 -6.178200 2.189800 0.000000 9 2 6 A0A0A0 C1 2 7 -6.772600 1.617700 0.000000 9 2 6 A0A0A0 C2 3 7 -6.574500 0.816900 0.000000 9 2 6 A0A0A0 C3 4 7 -5.781800 0.588100 0.000000 9 2 6 A0A0A0 C4 5 2 -5.187400 1.160100 0.000000 9 2 6 A0A0A0 C5 6 2 -5.385500 1.960900 0.000000 9 2 6 A0A0A0 C6 7 29 -6.205500 3.014300 0.000000 9 43 7 5757FF N7 8 5 -5.429700 3.295100 0.000000 9 2 6 A0A0A0 C8 9 4 -4.791000 2.533000 0.000000 9 2 6 A0A0A0 C9 10 7 -3.880500 2.628300 0.000000 9 2 6 A0A0A0 C10 11 29 -4.247400 0.695600 0.000000 9 43 7 5757FF N11 12 5 -3.813500 -0.134700 0.000000 9 2 6 A0A0A0 C12 13 5 -2.696800 -0.068900 0.000000 9 2 6 A0A0A0 C14 14 7 -3.113100 2.296900 0.000000 9 2 6 A0A0A0 C15 15 7 -2.899600 1.500000 0.000000 9 2 6 A0A0A0 C16 16 7 -2.102700 1.286500 0.000000 9 2 6 A0A0A0 C17 17 7 -1.889200 0.489600 0.000000 9 2 6 A0A0A0 C18 18 7 -1.092300 0.276100 0.000000 9 2 6 A0A0A0 C19 19 5 -1.400400 -0.510900 0.000000 9 2 6 A0A0A0 C20 20 5 0.103700 0.542600 0.000000 9 2 6 A0A0A0 C21 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 6 1 3 1 7 1 4 2 3 1 5 3 4 2 6 4 5 1 7 5 6 2 8 5 11 1 9 6 9 1 10 7 8 1 11 8 9 1 12 9 10 1 13 10 14 2 14 11 12 1 15 12 13 1 16 13 19 1 17 14 15 1 18 15 16 2 19 16 17 1 20 17 18 2 21 18 20 1 22 19 20 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 2" 3 templates.3 templates templates 0 2 m_atom[23] { # 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 s_m_color_rgb ::: 1 5 -0.561400 2.224200 0.000000 9 2 6 A0A0A0 2 5 -0.561400 1.399200 0.000000 9 2 6 A0A0A0 3 5 0.153000 0.986700 0.000000 9 2 6 A0A0A0 4 5 0.867500 1.399200 0.000000 9 2 6 A0A0A0 5 4 0.867500 2.224200 0.000000 9 2 6 A0A0A0 6 5 0.153000 2.636700 0.000000 9 2 6 A0A0A0 7 5 0.153000 3.461700 0.000000 9 2 6 A0A0A0 8 5 0.867500 3.874200 0.000000 9 2 6 A0A0A0 9 5 1.582000 2.636700 0.000000 9 2 6 A0A0A0 10 4 1.582000 3.461700 0.000000 9 2 6 A0A0A0 11 5 2.296400 3.874200 0.000000 9 2 6 A0A0A0 12 5 2.296400 4.699200 0.000000 9 2 6 A0A0A0 13 5 1.582000 5.111700 0.000000 9 2 6 A0A0A0 14 5 0.867500 4.699200 0.000000 9 2 6 A0A0A0 15 5 0.153000 5.111700 0.000000 9 2 6 A0A0A0 16 5 -0.561400 4.699200 0.000000 9 2 6 A0A0A0 17 5 -0.561400 3.874200 0.000000 9 2 6 A0A0A0 18 4 -1.275900 3.461700 0.000000 9 2 6 A0A0A0 19 4 -1.275900 2.636700 0.000000 9 2 6 A0A0A0 20 5 -1.990400 3.874200 0.000000 9 2 6 A0A0A0 21 5 -2.704900 3.461700 0.000000 9 2 6 A0A0A0 22 5 -2.704900 2.636700 0.000000 9 2 6 A0A0A0 23 5 -1.990400 2.224200 0.000000 9 2 6 A0A0A0 ::: } m_bond[25] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 19 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 18 20 1 22 19 23 1 23 20 21 1 24 21 22 1 25 22 23 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 3" 4 templates.4 templates templates 0 2 m_atom[25] { # 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 s_m_color_rgb ::: 1 5 -1.663800 -1.746700 0.000000 9 2 6 A0A0A0 2 5 -1.663800 -2.571700 0.000000 9 2 6 A0A0A0 3 5 -0.838800 -2.571700 0.000000 9 2 6 A0A0A0 4 5 -0.426300 -3.286200 0.000000 9 2 6 A0A0A0 5 4 0.398700 -3.286200 0.000000 9 2 6 A0A0A0 6 5 0.769000 -4.023400 0.000000 9 2 6 A0A0A0 7 5 1.592000 -4.080900 0.000000 9 2 6 A0A0A0 8 5 2.061300 -3.402400 0.000000 9 2 6 A0A0A0 9 5 0.811200 -2.571700 0.000000 9 2 6 A0A0A0 10 4 1.717100 -2.652600 0.000000 9 2 6 A0A0A0 11 5 2.129600 -1.938100 0.000000 9 2 6 A0A0A0 12 5 1.717100 -1.223700 0.000000 9 2 6 A0A0A0 13 5 0.892100 -1.223700 0.000000 9 2 6 A0A0A0 14 5 0.479600 -0.509200 0.000000 9 2 6 A0A0A0 15 5 -0.234900 -0.096700 0.000000 9 2 6 A0A0A0 16 5 -0.234900 0.728300 0.000000 9 2 6 A0A0A0 17 5 -0.949400 1.140800 0.000000 9 2 6 A0A0A0 18 5 -1.663800 0.728300 0.000000 9 2 6 A0A0A0 19 5 -1.663800 -0.096700 0.000000 9 2 6 A0A0A0 20 4 -2.378300 -0.509200 0.000000 9 2 6 A0A0A0 21 4 -2.378300 -1.334200 0.000000 9 2 6 A0A0A0 22 5 -3.092800 -0.096700 0.000000 9 2 6 A0A0A0 23 5 -3.807200 -0.509200 0.000000 9 2 6 A0A0A0 24 5 -3.807200 -1.334200 0.000000 9 2 6 A0A0A0 25 5 -3.092800 -1.746700 0.000000 9 2 6 A0A0A0 ::: } m_bond[27] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 21 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 23 20 22 1 24 21 25 1 25 22 23 1 26 23 24 1 27 24 25 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 4" 5 templates.5 templates templates 0 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 s_m_color_rgb ::: 1 5 0.071600 -7.562500 0.000000 9 2 6 A0A0A0 2 5 0.071600 -8.387500 0.000000 9 2 6 A0A0A0 3 5 0.786100 -8.800000 0.000000 9 2 6 A0A0A0 4 5 1.500500 -8.387500 0.000000 9 2 6 A0A0A0 5 4 2.215000 -8.800000 0.000000 9 2 6 A0A0A0 6 5 2.215000 -9.625000 0.000000 9 2 6 A0A0A0 7 5 2.929500 -10.037500 0.000000 9 2 6 A0A0A0 8 5 3.643900 -9.625000 0.000000 9 2 6 A0A0A0 9 5 2.929500 -8.387500 0.000000 9 2 6 A0A0A0 10 4 3.643900 -8.800000 0.000000 9 2 6 A0A0A0 11 5 4.358400 -8.387500 0.000000 9 2 6 A0A0A0 12 5 4.358400 -7.562500 0.000000 9 2 6 A0A0A0 13 5 3.643900 -7.150000 0.000000 9 2 6 A0A0A0 14 5 3.643900 -6.325000 0.000000 9 2 6 A0A0A0 15 5 2.929500 -5.912500 0.000000 9 2 6 A0A0A0 16 5 2.929500 -5.087500 0.000000 9 2 6 A0A0A0 17 5 2.215000 -4.675000 0.000000 9 2 6 A0A0A0 18 7 1.500500 -5.087500 0.000000 9 2 6 A0A0A0 19 7 1.500500 -5.912500 0.000000 9 2 6 A0A0A0 20 5 0.786100 -6.325000 0.000000 9 2 6 A0A0A0 21 5 0.071600 -5.912500 0.000000 9 2 6 A0A0A0 22 4 -0.642900 -6.325000 0.000000 9 2 6 A0A0A0 23 4 -0.642900 -7.150000 0.000000 9 2 6 A0A0A0 24 5 -1.357400 -5.912500 0.000000 9 2 6 A0A0A0 25 5 -2.071800 -6.325000 0.000000 9 2 6 A0A0A0 26 5 -2.071800 -7.150000 0.000000 9 2 6 A0A0A0 27 5 -1.357400 -7.562500 0.000000 9 2 6 A0A0A0 ::: } m_bond[29] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 23 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 2 21 19 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 22 24 1 26 23 27 1 27 24 25 1 28 25 26 1 29 26 27 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 5" 6 templates.6 templates templates 0 2 m_atom[24] { # 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 s_m_color_rgb ::: 1 5 -2.159300 7.906800 0.000000 9 2 6 A0A0A0 2 5 -1.746800 7.192300 0.000000 9 2 6 A0A0A0 3 5 -0.921800 7.192300 0.000000 9 2 6 A0A0A0 4 5 -0.509300 6.477800 0.000000 9 2 6 A0A0A0 5 4 0.315700 6.477800 0.000000 9 2 6 A0A0A0 6 5 0.728200 5.763300 0.000000 9 2 6 A0A0A0 7 5 1.553200 5.763300 0.000000 9 2 6 A0A0A0 8 5 1.965700 6.477800 0.000000 9 2 6 A0A0A0 9 5 0.728200 7.192300 0.000000 9 2 6 A0A0A0 10 4 1.553200 7.192300 0.000000 9 2 6 A0A0A0 11 5 1.965700 7.906800 0.000000 9 2 6 A0A0A0 12 5 1.553200 8.608600 0.000000 9 2 6 A0A0A0 13 5 0.728200 8.608600 0.000000 9 2 6 A0A0A0 14 5 0.315700 9.323100 0.000000 9 2 6 A0A0A0 15 5 -0.509300 9.323100 0.000000 9 2 6 A0A0A0 16 5 -0.921800 10.037500 0.000000 9 2 6 A0A0A0 17 5 -1.746800 10.037500 0.000000 9 2 6 A0A0A0 18 5 -2.159300 9.323100 0.000000 9 2 6 A0A0A0 19 4 -2.929500 9.027400 0.000000 9 2 6 A0A0A0 20 4 -2.929500 8.202400 0.000000 9 2 6 A0A0A0 21 5 -3.643900 9.439900 0.000000 9 2 6 A0A0A0 22 5 -4.358400 9.027400 0.000000 9 2 6 A0A0A0 23 5 -4.358400 8.202400 0.000000 9 2 6 A0A0A0 24 5 -3.643900 7.789900 0.000000 9 2 6 A0A0A0 ::: } m_bond[26] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 20 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 19 21 1 23 20 24 1 24 21 22 1 25 22 23 1 26 23 24 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 6" 7 templates.7 templates templates 0 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 s_m_color_rgb ::: 1 5 -0.714500 1.031200 0.000000 9 2 6 A0A0A0 2 5 -0.714500 0.206200 0.000000 9 2 6 A0A0A0 3 5 -1.428900 -0.206300 0.000000 9 2 6 A0A0A0 4 5 -1.428900 -1.031300 0.000000 9 2 6 A0A0A0 5 4 -0.714500 -1.443800 0.000000 9 2 6 A0A0A0 6 5 -0.714500 -2.268800 0.000000 9 2 6 A0A0A0 7 5 -0.000000 -2.681200 0.000000 9 2 6 A0A0A0 8 5 0.714500 -2.268800 0.000000 9 2 6 A0A0A0 9 5 0.000000 -1.031300 0.000000 9 2 6 A0A0A0 10 4 0.714500 -1.443800 0.000000 9 2 6 A0A0A0 11 5 1.428900 -1.031300 0.000000 9 2 6 A0A0A0 12 5 2.143400 -1.443800 0.000000 9 2 6 A0A0A0 13 5 2.857900 -1.031300 0.000000 9 2 6 A0A0A0 14 5 2.857900 -0.206300 0.000000 9 2 6 A0A0A0 15 5 2.143400 0.206200 0.000000 9 2 6 A0A0A0 16 5 2.143400 1.031200 0.000000 9 2 6 A0A0A0 17 5 1.428900 1.443700 0.000000 9 2 6 A0A0A0 18 5 1.428900 2.268700 0.000000 9 2 6 A0A0A0 19 5 0.714500 2.681200 0.000000 9 2 6 A0A0A0 20 5 0.000000 2.268700 0.000000 9 2 6 A0A0A0 21 5 -0.714500 2.681200 0.000000 9 2 6 A0A0A0 22 4 -1.428900 2.268700 0.000000 9 2 6 A0A0A0 23 4 -1.428900 1.443700 0.000000 9 2 6 A0A0A0 24 5 -2.143400 2.681200 0.000000 9 2 6 A0A0A0 25 5 -2.857900 2.268700 0.000000 9 2 6 A0A0A0 26 5 -2.857900 1.443700 0.000000 9 2 6 A0A0A0 27 5 -2.143400 1.031200 0.000000 9 2 6 A0A0A0 ::: } m_bond[29] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 23 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 22 24 1 26 23 27 1 27 24 25 1 28 25 26 1 29 26 27 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 7" 8 templates.8 templates templates 0 2 m_atom[26] { # 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 s_m_color_rgb ::: 1 5 -1.428900 -0.591400 0.000000 9 2 6 A0A0A0 2 5 -0.714400 -0.178900 0.000000 9 2 6 A0A0A0 3 5 -0.000000 -0.591400 0.000000 9 2 6 A0A0A0 4 5 0.714400 -0.178900 0.000000 9 2 6 A0A0A0 5 4 1.428900 -0.591400 0.000000 9 2 6 A0A0A0 6 5 1.428900 -1.416400 0.000000 9 2 6 A0A0A0 7 5 2.143300 -1.828800 0.000000 9 2 6 A0A0A0 8 5 2.857800 -1.416400 0.000000 9 2 6 A0A0A0 9 5 2.143300 -0.178900 0.000000 9 2 6 A0A0A0 10 4 2.857800 -0.591400 0.000000 9 2 6 A0A0A0 11 5 3.572300 -0.178900 0.000000 9 2 6 A0A0A0 12 5 3.572300 0.646100 0.000000 9 2 6 A0A0A0 13 5 2.845200 1.058600 0.000000 9 2 6 A0A0A0 14 5 2.549500 1.828800 0.000000 9 2 6 A0A0A0 15 5 1.724500 1.828800 0.000000 9 2 6 A0A0A0 16 5 1.428900 1.058600 0.000000 9 2 6 A0A0A0 17 5 0.714400 0.646100 0.000000 9 2 6 A0A0A0 18 5 -0.000000 1.058600 0.000000 9 2 6 A0A0A0 19 5 -0.714400 0.646100 0.000000 9 2 6 A0A0A0 20 5 -1.428900 1.058600 0.000000 9 2 6 A0A0A0 21 4 -2.143400 0.646100 0.000000 9 2 6 A0A0A0 22 4 -2.143400 -0.178900 0.000000 9 2 6 A0A0A0 23 5 -2.857800 1.058600 0.000000 9 2 6 A0A0A0 24 5 -3.572300 0.646100 0.000000 9 2 6 A0A0A0 25 5 -3.572300 -0.178900 0.000000 9 2 6 A0A0A0 26 5 -2.857800 -0.591400 0.000000 9 2 6 A0A0A0 ::: } m_bond[28] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 22 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 23 21 22 1 24 21 23 1 25 22 26 1 26 23 24 1 27 24 25 1 28 25 26 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 8" 9 templates.9 templates templates 0 2 m_atom[34] { # 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_m_formal_charge s_m_color_rgb ::: 1 7 -0.749600 -1.308200 0.000000 9 2 6 0 A0A0A0 2 7 -1.464000 -1.720700 0.000000 9 2 6 0 A0A0A0 3 7 -2.178500 -1.308200 0.000000 9 2 6 0 A0A0A0 4 2 -2.178500 -0.483200 0.000000 9 2 6 0 A0A0A0 5 7 -2.893000 -0.070700 0.000000 9 2 6 0 A0A0A0 6 7 -2.893000 0.754300 0.000000 9 2 6 0 A0A0A0 7 7 -2.178500 1.166800 0.000000 9 2 6 0 A0A0A0 8 2 -1.464000 0.754300 0.000000 9 2 6 0 A0A0A0 9 18 -0.648200 0.876700 0.000000 9 70 8 -1 FF2F2F 10 2 -1.464000 -0.070700 0.000000 9 2 6 0 A0A0A0 11 31 -0.749600 -0.483200 0.000000 9 43 7 1 5757FF 12 163 0.587100 0.100900 0.000000 9 4 13 3 1E1EE1 13 31 0.749600 1.550400 0.000000 9 43 7 1 5757FF 14 2 1.464000 1.962900 0.000000 9 2 6 0 A0A0A0 15 2 1.464000 2.787900 0.000000 9 2 6 0 A0A0A0 16 7 0.749600 3.200400 0.000000 9 2 6 0 A0A0A0 17 7 0.035100 2.787900 0.000000 9 2 6 0 A0A0A0 18 7 0.035100 1.962900 0.000000 9 2 6 0 A0A0A0 19 7 2.178500 3.200400 0.000000 9 2 6 0 A0A0A0 20 7 2.893000 2.787900 0.000000 9 2 6 0 A0A0A0 21 7 2.893000 1.962900 0.000000 9 2 6 0 A0A0A0 22 2 2.178500 1.550400 0.000000 9 2 6 0 A0A0A0 23 18 1.876500 0.782700 0.000000 9 70 8 -1 FF2F2F 24 31 0.532800 -1.356800 0.000000 9 43 7 1 5757FF 25 2 1.178200 -1.870700 0.000000 9 2 6 0 A0A0A0 26 2 1.945900 -1.568700 0.000000 9 2 6 0 A0A0A0 27 18 1.761200 -0.764600 0.000000 9 70 8 -1 FF2F2F 28 7 2.591300 -2.082600 0.000000 9 2 6 0 A0A0A0 29 7 2.468900 -2.898500 0.000000 9 2 6 0 A0A0A0 30 7 1.701200 -3.200400 0.000000 9 2 6 0 A0A0A0 31 2 1.055800 -2.686500 0.000000 9 2 6 0 A0A0A0 32 7 0.288100 -2.988500 0.000000 9 2 6 0 A0A0A0 33 7 -0.357300 -2.474600 0.000000 9 2 6 0 A0A0A0 34 7 -0.235000 -1.658700 0.000000 9 2 6 0 A0A0A0 ::: } m_bond[42] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 11 1 3 2 3 1 4 3 4 2 5 4 5 1 6 4 10 1 7 5 6 2 8 6 7 1 9 7 8 2 10 8 9 1 11 8 10 1 12 9 12 1 13 10 11 2 14 11 12 1 15 12 13 1 16 12 23 1 17 12 24 1 18 12 27 1 19 13 14 2 20 13 18 1 21 14 15 1 22 14 22 1 23 15 16 2 24 15 19 1 25 16 17 1 26 17 18 2 27 19 20 2 28 20 21 1 29 21 22 2 30 22 23 1 31 24 25 2 32 24 34 1 33 25 26 1 34 25 31 1 35 26 27 1 36 26 28 2 37 28 29 1 38 29 30 2 39 30 31 1 40 31 32 2 41 32 33 1 42 33 34 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 9" 10 templates.10 templates templates 0 2 m_atom[22] { # 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 s_m_color_rgb s_m_atom_name ::: 1 7 0.159300 3.056900 0.000000 9 2 6 A0A0A0 C1 2 7 0.859700 2.621000 0.000000 9 2 6 A0A0A0 C2 3 2 0.859700 1.796000 0.000000 9 2 6 A0A0A0 C3 4 7 -0.581000 2.692600 0.000000 9 2 6 A0A0A0 C4 5 2 -0.662800 1.871700 0.000000 9 2 6 A0A0A0 C5 6 7 0.082700 1.518500 0.000000 9 2 6 A0A0A0 C6 7 5 -1.341500 1.402600 0.000000 9 2 6 A0A0A0 C7 8 5 -1.274600 0.580400 0.000000 9 2 6 A0A0A0 C8 9 27 -1.809300 -0.048800 0.000000 9 43 7 5757FF N9 10 5 -1.531900 -0.825800 0.000000 9 2 6 A0A0A0 C10 11 5 -0.720300 -0.973900 0.000000 9 2 6 A0A0A0 C11 12 2 -0.251200 -1.652600 0.000000 9 2 6 A0A0A0 C12 13 7 0.559600 -1.500100 0.000000 9 2 6 A0A0A0 C13 14 2 1.097000 -2.126000 0.000000 9 2 6 A0A0A0 C14 15 7 0.823700 -2.904400 0.000000 9 2 6 A0A0A0 C15 16 7 0.012900 -3.056900 0.000000 9 2 6 A0A0A0 C16 17 7 -0.524500 -2.431000 0.000000 9 2 6 A0A0A0 C17 18 5 1.775700 -1.656900 0.000000 9 2 6 A0A0A0 C18 19 5 1.380100 -0.933000 0.000000 9 2 6 A0A0A0 C19 20 5 1.809300 -0.228400 0.000000 9 2 6 A0A0A0 C20 21 5 1.340200 0.450300 0.000000 9 2 6 A0A0A0 C21 22 5 1.488400 1.261900 0.000000 9 2 6 A0A0A0 C22 ::: } m_bond[24] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 4 1 3 2 3 1 4 3 6 2 5 3 22 1 6 4 5 2 7 5 6 1 8 5 7 1 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 2 15 12 17 1 16 13 14 1 17 14 15 2 18 14 18 1 19 15 16 1 20 16 17 2 21 18 19 1 22 19 20 1 23 20 21 1 24 21 22 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 10" 11 templates.11 templates templates 0 2 m_atom[22] { # 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 s_m_color_rgb ::: 1 5 0.714500 1.650000 0.000000 9 2 6 A0A0A0 2 27 0.714500 0.825000 0.000000 9 43 7 5757FF 3 5 1.428900 0.412500 0.000000 9 2 6 A0A0A0 4 5 0.000000 2.062500 0.000000 9 2 6 A0A0A0 5 4 -0.714500 1.650000 0.000000 9 2 6 A0A0A0 6 5 -1.428900 2.062500 0.000000 9 2 6 A0A0A0 7 5 -2.143400 1.650000 0.000000 9 2 6 A0A0A0 8 5 -2.143400 0.825000 0.000000 9 2 6 A0A0A0 9 5 -0.714500 0.825000 0.000000 9 2 6 A0A0A0 10 4 -1.428900 0.412500 0.000000 9 2 6 A0A0A0 11 16 -1.428900 -0.412500 0.000000 9 70 8 FF2F2F 12 5 -2.143400 -0.825000 0.000000 9 2 6 A0A0A0 13 5 -2.143400 -1.650000 0.000000 9 2 6 A0A0A0 14 5 -1.428900 -2.062500 0.000000 9 2 6 A0A0A0 15 5 -0.714500 -1.650000 0.000000 9 2 6 A0A0A0 16 27 0.000000 -2.062500 0.000000 9 43 7 5757FF 17 4 0.714500 -1.650000 0.000000 9 2 6 A0A0A0 18 5 0.714500 -0.825000 0.000000 9 2 6 A0A0A0 19 5 1.428900 -2.062500 0.000000 9 2 6 A0A0A0 20 5 2.143400 -1.650000 0.000000 9 2 6 A0A0A0 21 5 2.143400 -0.825000 0.000000 9 2 6 A0A0A0 22 4 1.428900 -0.412500 0.000000 9 2 6 A0A0A0 ::: } m_bond[24] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 2 3 1 4 3 22 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 17 19 1 21 18 22 1 22 19 20 1 23 20 21 1 24 21 22 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 11" 12 templates.12 templates templates 0 2 m_atom[19] { # 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 s_m_color_rgb s_m_atom_name ::: 1 5 -0.206200 1.786200 0.000000 9 2 6 A0A0A0 C1 2 5 0.206300 1.071700 0.000000 9 2 6 A0A0A0 C2 3 29 1.031300 1.071700 0.000000 9 43 7 5757FF N3 4 5 -1.031200 1.786200 0.000000 9 2 6 A0A0A0 C4 5 5 -1.443700 1.071700 0.000000 9 2 6 A0A0A0 C5 6 5 -2.268700 1.071700 0.000000 9 2 6 A0A0A0 C6 7 5 -2.681200 0.357200 0.000000 9 2 6 A0A0A0 C7 8 5 -2.268700 -0.357200 0.000000 9 2 6 A0A0A0 C8 9 5 -1.443700 -0.357200 0.000000 9 2 6 A0A0A0 C9 10 5 -1.031200 -1.071700 0.000000 9 2 6 A0A0A0 C10 11 27 -0.206200 -1.071700 0.000000 9 43 7 5757FF N11 12 5 0.206300 -1.786200 0.000000 9 2 6 A0A0A0 C12 13 5 1.031300 -1.786200 0.000000 9 2 6 A0A0A0 C13 14 2 1.443800 -1.071700 0.000000 9 2 6 A0A0A0 C14 15 7 1.031300 -0.357200 0.000000 9 2 6 A0A0A0 C15 16 2 1.443800 0.357200 0.000000 9 2 6 A0A0A0 C16 17 7 2.268800 -1.071700 0.000000 9 2 6 A0A0A0 C17 18 7 2.681200 -0.357200 0.000000 9 2 6 A0A0A0 C18 19 7 2.268800 0.357200 0.000000 9 2 6 A0A0A0 C19 ::: } m_bond[20] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 2 3 1 4 3 16 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 2 16 14 17 1 17 15 16 1 18 16 19 2 19 17 18 2 20 18 19 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 12" 13 templates.13 templates templates 0 2 m_atom[12] { # 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 s_m_color_rgb ::: 1 27 2.259400 -2.751000 0.000000 9 43 7 5757FF 2 27 3.230400 -1.703100 0.000000 9 43 7 5757FF 3 26 0.947900 -2.321500 0.000000 9 43 7 5757FF 4 4 0.600500 -1.146200 0.000000 9 2 6 A0A0A0 5 4 -0.515400 -2.828800 0.000000 9 2 6 A0A0A0 6 4 -1.525500 -1.818600 0.000000 9 2 6 A0A0A0 7 5 1.380300 -0.368400 0.000000 9 2 6 A0A0A0 8 5 0.000000 0.000000 0.000000 9 2 6 A0A0A0 9 5 -2.905400 -2.188300 0.000000 9 2 6 A0A0A0 10 5 -3.275200 -3.568200 0.000000 9 2 6 A0A0A0 11 5 -2.265100 -4.578400 0.000000 9 2 6 A0A0A0 12 5 -0.885200 -4.208700 0.000000 9 2 6 A0A0A0 ::: } m_bond[14] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 4 1 4 3 7 1 5 3 5 1 6 4 8 1 7 4 6 1 8 5 6 1 9 5 12 1 10 6 9 1 11 7 8 1 12 9 10 1 13 10 11 1 14 11 12 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: CRDGEN-85_template_2 14 templates.14 templates templates 0 2 m_atom[22] { # 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 s_m_color_rgb ::: 1 5 -17.652800 -2.580900 0.000000 9 2 6 A0A0A0 2 4 -16.863400 -2.422000 0.000000 9 2 6 A0A0A0 3 4 -16.256600 -0.995200 0.000000 9 2 6 A0A0A0 4 5 -16.664200 -0.306500 0.000000 9 2 6 A0A0A0 5 5 -13.305800 -3.061000 0.000000 9 2 6 A0A0A0 6 4 -13.370000 -1.860200 0.000000 9 2 6 A0A0A0 7 5 -14.160600 -1.624400 0.000000 9 2 6 A0A0A0 8 4 -13.924800 -0.833800 0.000000 9 2 6 A0A0A0 9 5 -14.684000 -0.510900 0.000000 9 2 6 A0A0A0 10 5 -13.789500 -3.729300 0.000000 9 2 6 A0A0A0 11 5 -14.515300 -4.121600 0.000000 9 2 6 A0A0A0 12 5 -15.339400 -4.160100 0.000000 9 2 6 A0A0A0 13 5 -16.098600 -3.837200 0.000000 9 2 6 A0A0A0 14 5 -16.642500 -3.216900 0.000000 9 2 6 A0A0A0 15 5 -16.300300 -1.819000 0.000000 9 2 6 A0A0A0 16 5 -15.508100 -0.549400 0.000000 9 2 6 A0A0A0 17 5 -13.134200 -1.069700 0.000000 9 2 6 A0A0A0 18 5 -18.479200 -2.308500 0.000000 9 2 6 A0A0A0 19 5 -17.336000 0.070600 0.000000 9 2 6 A0A0A0 20 5 -18.944700 -1.666200 0.000000 9 2 6 A0A0A0 21 5 -18.863600 -0.722000 0.000000 9 2 6 A0A0A0 22 5 -18.219900 -0.017800 0.000000 9 2 6 A0A0A0 ::: } m_bond[24] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 18 1 3 2 14 1 4 2 15 1 5 3 4 1 6 3 16 1 7 3 15 1 8 4 19 1 9 5 10 1 10 5 6 1 11 6 7 1 12 6 17 1 13 7 8 1 14 8 9 1 15 8 17 1 16 9 16 1 17 10 11 1 18 11 12 1 19 12 13 1 20 13 14 1 21 18 20 1 22 19 22 1 23 20 21 1 24 21 22 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: CRDGEN-85_template 15 templates.15 templates templates 0 2 m_atom[21] { # 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 s_m_color_rgb ::: 1 5 -18.373900 -2.072200 0.000000 9 2 6 A0A0A0 2 5 -17.682300 -2.522000 0.000000 9 2 6 A0A0A0 3 4 -16.863400 -2.422000 0.000000 9 2 6 A0A0A0 4 4 -16.256600 -0.995200 0.000000 9 2 6 A0A0A0 5 5 -16.752600 -0.336000 0.000000 9 2 6 A0A0A0 6 5 -17.556400 -0.149800 0.000000 9 2 6 A0A0A0 7 5 -18.291700 -0.523900 0.000000 9 2 6 A0A0A0 8 5 -18.614600 -1.283100 0.000000 9 2 6 A0A0A0 9 5 -13.305800 -3.061000 0.000000 9 2 6 A0A0A0 10 4 -13.370000 -1.860200 0.000000 9 2 6 A0A0A0 11 5 -14.160600 -1.624400 0.000000 9 2 6 A0A0A0 12 4 -13.924800 -0.833800 0.000000 9 2 6 A0A0A0 13 5 -14.684000 -0.510900 0.000000 9 2 6 A0A0A0 14 5 -13.789500 -3.729300 0.000000 9 2 6 A0A0A0 15 5 -14.515300 -4.121600 0.000000 9 2 6 A0A0A0 16 5 -15.339400 -4.160100 0.000000 9 2 6 A0A0A0 17 5 -16.098600 -3.837200 0.000000 9 2 6 A0A0A0 18 5 -16.642500 -3.216900 0.000000 9 2 6 A0A0A0 19 5 -16.300300 -1.819000 0.000000 9 2 6 A0A0A0 20 5 -15.508100 -0.549400 0.000000 9 2 6 A0A0A0 21 5 -13.134200 -1.069700 0.000000 9 2 6 A0A0A0 ::: } m_bond[23] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 8 1 3 2 3 1 4 3 18 1 5 3 19 1 6 4 5 1 7 4 20 1 8 4 19 1 9 5 6 1 10 6 7 1 11 7 8 1 12 9 14 1 13 9 10 1 14 10 11 1 15 10 21 1 16 11 12 1 17 12 13 1 18 12 21 1 19 13 20 1 20 14 15 1 21 15 16 1 22 16 17 1 23 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 15" 16 templates.16 templates templates 0 2 m_atom[17] { # 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 s_m_color_rgb ::: 1 5 -2.021800 0.783500 0.000000 9 2 6 A0A0A0 2 5 -1.820500 -0.016500 0.000000 9 2 6 A0A0A0 3 4 -1.027000 -0.242200 0.000000 9 2 6 A0A0A0 4 4 -0.434800 0.332100 0.000000 9 2 6 A0A0A0 5 4 -0.636100 1.132200 0.000000 9 2 6 A0A0A0 6 5 -1.429600 1.357900 0.000000 9 2 6 A0A0A0 7 3 0.388400 0.276300 0.000000 9 2 6 A0A0A0 8 4 0.695800 1.041900 0.000000 9 2 6 A0A0A0 9 5 0.062600 1.570900 0.000000 9 2 6 A0A0A0 10 5 0.897700 -0.372700 0.000000 9 2 6 A0A0A0 11 5 1.714400 -0.256100 0.000000 9 2 6 A0A0A0 12 5 2.021800 0.509500 0.000000 9 2 6 A0A0A0 13 5 1.512500 1.158500 0.000000 9 2 6 A0A0A0 14 5 -1.077700 -1.065700 0.000000 9 2 6 A0A0A0 15 5 0.589700 -0.523700 0.000000 9 2 6 A0A0A0 16 5 0.359100 -1.315900 0.000000 9 2 6 A0A0A0 17 5 -0.425500 -1.570900 0.000000 9 2 6 A0A0A0 ::: } m_bond[20] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 3 4 1 5 3 14 1 6 4 5 1 7 4 7 1 8 5 6 1 9 5 9 1 10 7 8 1 11 7 10 1 12 7 15 1 13 8 9 1 14 8 13 1 15 10 11 1 16 11 12 1 17 12 13 1 18 14 17 1 19 15 16 1 20 16 17 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 16" 17 templates.17 templates templates 0 2 m_atom[15] { # 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 s_m_color_rgb s_m_atom_name ::: 1 5 1.186400 1.035900 0.000000 9 2 6 A0A0A0 C1 2 5 0.370300 1.157000 0.000000 9 2 6 A0A0A0 C2 3 4 -0.326500 0.715300 0.000000 9 2 6 A0A0A0 C3 4 5 0.085100 0.000400 0.000000 9 2 6 A0A0A0 C4 5 26 -0.328300 -0.713600 0.000000 9 43 7 5757FF N5 6 5 -1.151500 0.716400 0.000000 9 2 6 A0A0A0 C6 7 5 -1.564900 0.002400 0.000000 9 2 6 A0A0A0 C7 8 5 -1.153300 -0.712600 0.000000 9 2 6 A0A0A0 C9 9 2 1.724800 0.410800 0.000000 9 2 6 A0A0A0 C12 10 2 1.723800 -0.414200 0.000000 9 2 6 A0A0A0 C13 11 5 1.183800 -1.037900 0.000000 9 2 6 A0A0A0 C14 12 5 0.367400 -1.157000 0.000000 9 2 6 A0A0A0 C15 13 7 2.508100 -0.670100 0.000000 9 2 6 A0A0A0 C16 14 7 2.993800 -0.003300 0.000000 9 2 6 A0A0A0 C17 15 29 2.509700 0.664800 0.000000 9 43 7 5757FF N18 ::: } m_bond[17] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 9 1 3 2 3 1 4 3 4 1 5 3 6 1 6 4 5 1 7 5 8 1 8 5 12 1 9 6 7 1 10 7 8 1 11 9 10 2 12 9 15 1 13 10 11 1 14 10 13 1 15 11 12 1 16 13 14 2 17 14 15 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 17" 18 templates.18 templates templates 0 2 m_atom[21] { # 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 s_m_color_rgb ::: 1 4 -1.155700 -2.185300 0.000000 9 2 6 A0A0A0 2 4 -1.155700 -1.360400 0.000000 9 2 6 A0A0A0 3 4 -0.441300 -2.597800 0.000000 9 2 6 A0A0A0 4 5 0.273100 -2.185300 0.000000 9 2 6 A0A0A0 5 5 0.273100 -1.360400 0.000000 9 2 6 A0A0A0 6 4 -0.441300 -0.947900 0.000000 9 2 6 A0A0A0 7 5 -0.227800 -1.800900 0.000000 9 2 6 A0A0A0 8 5 -0.028800 -0.233400 0.000000 9 2 6 A0A0A0 9 5 -0.028800 0.591600 0.000000 9 2 6 A0A0A0 10 3 -0.743300 1.004100 0.000000 9 2 6 A0A0A0 11 5 -1.155700 0.289600 0.000000 9 2 6 A0A0A0 12 5 -1.155700 -0.535400 0.000000 9 2 6 A0A0A0 13 5 -0.159900 1.587500 0.000000 9 2 6 A0A0A0 14 27 -0.373500 2.384200 0.000000 9 43 7 5757FF 15 5 -1.170300 2.597800 0.000000 9 2 6 A0A0A0 16 5 -1.753600 2.014400 0.000000 9 2 6 A0A0A0 17 5 -1.540100 1.217600 0.000000 9 2 6 A0A0A0 18 5 -1.870200 -0.947900 0.000000 9 2 6 A0A0A0 19 5 -2.584600 -1.360400 0.000000 9 2 6 A0A0A0 20 5 -2.584600 -2.185300 0.000000 9 2 6 A0A0A0 21 5 -1.870200 -2.597800 0.000000 9 2 6 A0A0A0 ::: } m_bond[24] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 1 21 1 4 2 6 1 5 2 18 1 6 3 4 1 7 3 7 1 8 4 5 1 9 5 6 1 10 6 8 1 11 7 12 1 12 8 9 1 13 9 10 1 14 10 11 1 15 10 13 1 16 10 17 1 17 11 12 1 18 13 14 1 19 14 15 1 20 15 16 1 21 16 17 1 22 18 19 1 23 19 20 1 24 20 21 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 18" 19 templates.19 templates templates 0 2 m_atom[28] { # 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 s_m_color_rgb ::: 1 4 -1.155700 -2.185300 0.000000 9 2 6 A0A0A0 2 4 -1.155700 -1.360400 0.000000 9 2 6 A0A0A0 3 4 -0.441300 -2.597800 0.000000 9 2 6 A0A0A0 4 4 0.273100 -2.185300 0.000000 9 2 6 A0A0A0 5 4 0.273100 -1.360400 0.000000 9 2 6 A0A0A0 6 4 -0.441300 -0.947900 0.000000 9 2 6 A0A0A0 7 5 0.987600 -2.597800 0.000000 9 2 6 A0A0A0 8 4 1.702100 -2.185300 0.000000 9 2 6 A0A0A0 9 5 1.702100 -1.360400 0.000000 9 2 6 A0A0A0 10 4 0.987600 -0.947900 0.000000 9 2 6 A0A0A0 11 5 1.870300 -0.480400 0.000000 9 2 6 A0A0A0 12 5 2.584600 -0.892900 0.000000 9 2 6 A0A0A0 13 5 2.584600 -1.717800 0.000000 9 2 6 A0A0A0 14 5 -0.227800 -1.800900 0.000000 9 2 6 A0A0A0 15 5 -0.028800 -0.233400 0.000000 9 2 6 A0A0A0 16 5 -0.028800 0.591600 0.000000 9 2 6 A0A0A0 17 3 -0.743300 1.004100 0.000000 9 2 6 A0A0A0 18 5 -1.155700 0.289600 0.000000 9 2 6 A0A0A0 19 5 -1.155700 -0.535400 0.000000 9 2 6 A0A0A0 20 5 -0.159900 1.587500 0.000000 9 2 6 A0A0A0 21 27 -0.373500 2.384200 0.000000 9 43 7 5757FF 22 5 -1.170300 2.597800 0.000000 9 2 6 A0A0A0 23 5 -1.753600 2.014400 0.000000 9 2 6 A0A0A0 24 5 -1.540100 1.217600 0.000000 9 2 6 A0A0A0 25 5 -1.870200 -0.947900 0.000000 9 2 6 A0A0A0 26 5 -2.584600 -1.360400 0.000000 9 2 6 A0A0A0 27 5 -2.584600 -2.185300 0.000000 9 2 6 A0A0A0 28 5 -1.870200 -2.597800 0.000000 9 2 6 A0A0A0 ::: } m_bond[33] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 1 28 1 4 2 6 1 5 2 25 1 6 3 4 1 7 3 14 1 8 4 5 1 9 4 7 1 10 5 6 1 11 5 10 1 12 6 15 1 13 7 8 1 14 8 9 1 15 8 13 1 16 9 10 1 17 10 11 1 18 11 12 1 19 12 13 1 20 14 19 1 21 15 16 1 22 16 17 1 23 17 18 1 24 17 20 1 25 17 24 1 26 18 19 1 27 20 21 1 28 21 22 1 29 22 23 1 30 23 24 1 31 25 26 1 32 26 27 1 33 27 28 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 19" 20 templates.20 templates templates 0 2 m_atom[23] { # 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 s_m_color_rgb ::: 1 4 -1.155700 -2.185300 0.000000 9 2 6 A0A0A0 2 4 -1.155700 -1.360400 0.000000 9 2 6 A0A0A0 3 4 -0.441300 -2.597800 0.000000 9 2 6 A0A0A0 4 4 0.273100 -2.185300 0.000000 9 2 6 A0A0A0 5 4 0.273100 -1.360400 0.000000 9 2 6 A0A0A0 6 4 -0.441300 -0.947900 0.000000 9 2 6 A0A0A0 7 5 0.987600 -2.597800 0.000000 9 2 6 A0A0A0 8 4 1.702100 -2.185300 0.000000 9 2 6 A0A0A0 9 5 1.702100 -1.360400 0.000000 9 2 6 A0A0A0 10 4 0.987600 -0.947900 0.000000 9 2 6 A0A0A0 11 5 1.870300 -0.480400 0.000000 9 2 6 A0A0A0 12 5 2.584600 -0.892900 0.000000 9 2 6 A0A0A0 13 5 2.584600 -1.717800 0.000000 9 2 6 A0A0A0 14 5 -0.227800 -1.800900 0.000000 9 2 6 A0A0A0 15 5 -0.028800 -0.233400 0.000000 9 2 6 A0A0A0 16 5 -0.028800 0.591600 0.000000 9 2 6 A0A0A0 17 5 -0.743300 1.004100 0.000000 9 2 6 A0A0A0 18 5 -1.155700 0.289600 0.000000 9 2 6 A0A0A0 19 5 -1.155700 -0.535400 0.000000 9 2 6 A0A0A0 20 5 -1.870200 -0.947900 0.000000 9 2 6 A0A0A0 21 5 -2.584600 -1.360400 0.000000 9 2 6 A0A0A0 22 5 -2.584600 -2.185300 0.000000 9 2 6 A0A0A0 23 5 -1.870200 -2.597800 0.000000 9 2 6 A0A0A0 ::: } m_bond[27] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 1 23 1 4 2 6 1 5 2 20 1 6 3 4 1 7 3 14 1 8 4 5 1 9 4 7 1 10 5 6 1 11 5 10 1 12 6 15 1 13 7 8 1 14 8 9 1 15 8 13 1 16 9 10 1 17 10 11 1 18 11 12 1 19 12 13 1 20 14 19 1 21 15 16 1 22 16 17 1 23 17 18 1 24 18 19 1 25 20 21 1 26 21 22 1 27 22 23 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 20" 21 templates.21 templates templates 0 2 m_atom[19] { # 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 s_m_color_rgb ::: 1 5 -1.155700 -2.185300 0.000000 9 2 6 A0A0A0 2 5 -1.155700 -1.360400 0.000000 9 2 6 A0A0A0 3 4 -0.441300 -2.597800 0.000000 9 2 6 A0A0A0 4 4 0.273100 -2.185300 0.000000 9 2 6 A0A0A0 5 4 0.273100 -1.360400 0.000000 9 2 6 A0A0A0 6 4 -0.441300 -0.947900 0.000000 9 2 6 A0A0A0 7 5 0.987600 -2.597800 0.000000 9 2 6 A0A0A0 8 4 1.702100 -2.185300 0.000000 9 2 6 A0A0A0 9 5 1.702100 -1.360400 0.000000 9 2 6 A0A0A0 10 4 0.987600 -0.947900 0.000000 9 2 6 A0A0A0 11 5 1.870300 -0.480400 0.000000 9 2 6 A0A0A0 12 5 2.584600 -0.892900 0.000000 9 2 6 A0A0A0 13 5 2.584600 -1.717800 0.000000 9 2 6 A0A0A0 14 5 -0.227800 -1.800900 0.000000 9 2 6 A0A0A0 15 5 -0.028800 -0.233400 0.000000 9 2 6 A0A0A0 16 5 -0.028800 0.591600 0.000000 9 2 6 A0A0A0 17 5 -0.743300 1.004100 0.000000 9 2 6 A0A0A0 18 5 -1.155700 0.289600 0.000000 9 2 6 A0A0A0 19 5 -1.155700 -0.535400 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 6 1 4 3 4 1 5 3 14 1 6 4 5 1 7 4 7 1 8 5 6 1 9 5 10 1 10 6 15 1 11 7 8 1 12 8 9 1 13 8 13 1 14 9 10 1 15 10 11 1 16 11 12 1 17 12 13 1 18 14 19 1 19 15 16 1 20 16 17 1 21 17 18 1 22 18 19 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 21" 22 templates.22 templates templates 0 2 m_atom[16] { # 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 s_m_color_rgb ::: 1 5 -1.661900 0.540000 0.000000 9 2 6 A0A0A0 2 5 -1.661900 -0.285000 0.000000 9 2 6 A0A0A0 3 3 -0.877200 -0.540000 0.000000 9 2 6 A0A0A0 4 3 -0.392300 0.127500 0.000000 9 2 6 A0A0A0 5 5 -0.877200 0.794900 0.000000 9 2 6 A0A0A0 6 5 -0.392300 -1.207400 0.000000 9 2 6 A0A0A0 7 4 0.392300 -0.952500 0.000000 9 2 6 A0A0A0 8 3 0.392300 -0.127500 0.000000 9 2 6 A0A0A0 9 5 1.176900 -1.207400 0.000000 9 2 6 A0A0A0 10 5 1.661900 -0.540000 0.000000 9 2 6 A0A0A0 11 5 1.176900 0.127500 0.000000 9 2 6 A0A0A0 12 5 0.877200 0.540000 0.000000 9 2 6 A0A0A0 13 5 0.392300 1.207400 0.000000 9 2 6 A0A0A0 14 4 -0.392300 0.952500 0.000000 9 2 6 A0A0A0 15 5 0.191100 0.369100 0.000000 9 2 6 A0A0A0 16 5 -0.080300 -0.326400 0.000000 9 2 6 A0A0A0 ::: } m_bond[20] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 5 1 3 2 3 1 4 3 4 1 5 3 6 1 6 3 16 1 7 4 5 1 8 4 8 1 9 4 14 1 10 6 7 1 11 7 8 1 12 7 9 1 13 8 11 1 14 8 12 1 15 9 10 1 16 10 11 1 17 12 13 1 18 13 14 1 19 14 15 1 20 15 16 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 22" 23 templates.23 templates templates 0 2 m_atom[33] { # 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 s_m_color_rgb ::: 1 5 4.962100 -4.710300 0.000000 9 2 6 A0A0A0 2 5 4.962100 -6.138900 0.000000 9 2 6 A0A0A0 3 5 5.921200 -3.598100 0.000000 9 2 6 A0A0A0 4 5 3.696800 -6.944900 0.000000 9 2 6 A0A0A0 5 5 2.316900 -6.320000 0.000000 9 2 6 A0A0A0 6 5 0.936500 -6.962100 0.000000 9 2 6 A0A0A0 7 5 -0.412600 -6.371100 0.000000 9 2 6 A0A0A0 8 5 -1.938500 -6.828600 0.000000 9 2 6 A0A0A0 9 7 -3.054400 -5.860300 0.000000 9 2 6 A0A0A0 10 7 -3.398600 -4.417100 0.000000 9 2 6 A0A0A0 11 7 -5.285000 -2.489400 0.000000 9 2 6 A0A0A0 12 5 -5.193900 -0.959100 0.000000 9 2 6 A0A0A0 13 7 -4.760500 -3.865500 0.000000 9 2 6 A0A0A0 14 29 -4.285700 0.000000 0.000000 9 43 7 5757FF 15 2 -0.714300 -1.237200 0.000000 9 2 6 A0A0A0 16 7 0.000000 -2.474500 0.000000 9 2 6 A0A0A0 17 2 0.000000 0.000000 0.000000 9 2 6 A0A0A0 18 5 -2.142900 -1.237200 0.000000 9 2 6 A0A0A0 19 2 1.428600 0.000000 0.000000 9 2 6 A0A0A0 20 4 -0.714300 1.237200 0.000000 9 2 6 A0A0A0 21 2 2.142900 -1.237200 0.000000 9 2 6 A0A0A0 22 5 2.327400 1.110100 0.000000 9 2 6 A0A0A0 23 4 3.661100 0.598300 0.000000 9 2 6 A0A0A0 24 16 3.586500 -0.828400 0.000000 9 70 8 FF2F2F 25 7 1.428600 -2.474500 0.000000 9 2 6 A0A0A0 26 2 -2.857100 0.000000 0.000000 9 2 6 A0A0A0 27 2 -2.142900 1.237200 0.000000 9 2 6 A0A0A0 28 7 5.972100 -2.067500 0.000000 9 2 6 A0A0A0 29 7 5.041000 -1.200200 0.000000 9 2 6 A0A0A0 30 16 5.143000 0.126400 0.000000 9 70 8 FF2F2F 31 5 -0.272800 2.595900 0.000000 9 2 6 A0A0A0 32 5 -1.428600 3.435600 0.000000 9 2 6 A0A0A0 33 5 -2.584300 2.595900 0.000000 9 2 6 A0A0A0 ::: } m_bond[37] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 4 1 4 3 28 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 2 11 10 13 1 12 11 12 1 13 11 13 2 14 12 14 1 15 14 26 1 16 15 16 1 17 15 17 2 18 15 18 1 19 16 25 2 20 17 19 1 21 17 20 1 22 18 26 1 23 19 21 2 24 19 22 1 25 20 31 1 26 20 27 1 27 21 24 1 28 21 25 1 29 22 23 1 30 23 24 1 31 23 30 1 32 26 27 2 33 27 33 1 34 28 29 2 35 29 30 1 36 31 32 1 37 32 33 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 23" 24 templates.24 templates templates 0 2 m_atom[22] { # 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 s_m_color_rgb ::: 1 5 -0.595400 2.036900 0.000000 9 2 6 A0A0A0 2 2 0.106700 1.603600 0.000000 9 2 6 A0A0A0 3 7 0.909500 1.793700 0.000000 9 2 6 A0A0A0 4 7 -0.130100 0.813400 0.000000 9 2 6 A0A0A0 5 7 0.435900 0.213100 0.000000 9 2 6 A0A0A0 6 5 -1.276800 1.571800 0.000000 9 2 6 A0A0A0 7 16 -2.066700 1.771000 0.000000 9 70 8 FF2F2F 8 5 -2.573200 0.900600 0.000000 9 2 6 A0A0A0 9 5 -1.843400 0.201500 0.000000 9 2 6 A0A0A0 10 5 -2.041000 -0.778600 0.000000 9 2 6 A0A0A0 11 2 -1.052300 -1.065400 0.000000 9 2 6 A0A0A0 12 7 -0.491600 -0.460300 0.000000 9 2 6 A0A0A0 13 7 0.312900 -0.643200 0.000000 9 2 6 A0A0A0 14 7 -0.808800 -1.853700 0.000000 9 2 6 A0A0A0 15 7 -0.004400 -2.036900 0.000000 9 2 6 A0A0A0 16 2 0.556800 -1.431300 0.000000 9 2 6 A0A0A0 17 16 1.509000 -1.201000 0.000000 9 70 8 FF2F2F 18 2 1.238700 0.403200 0.000000 9 2 6 A0A0A0 19 2 1.475500 1.193500 0.000000 9 2 6 A0A0A0 20 4 1.917100 -0.066200 0.000000 9 2 6 A0A0A0 21 5 2.573200 0.433900 0.000000 9 2 6 A0A0A0 22 5 2.292800 1.214600 0.000000 9 2 6 A0A0A0 ::: } m_bond[25] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 2 4 2 4 1 5 3 19 1 6 4 5 2 7 5 18 1 8 6 7 1 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 2 14 11 14 1 15 12 13 1 16 13 16 2 17 14 15 2 18 15 16 1 19 16 17 1 20 17 20 1 21 18 19 2 22 18 20 1 23 19 22 1 24 20 21 1 25 21 22 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 24" 25 templates.25 templates templates 0 2 m_atom[12] { # 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 s_m_color_rgb ::: 1 5 0.667100 1.194000 0.000000 9 2 6 A0A0A0 2 5 1.372900 0.766800 0.000000 9 2 6 A0A0A0 3 5 1.627800 -0.017800 0.000000 9 2 6 A0A0A0 4 5 -0.146300 1.056000 0.000000 9 2 6 A0A0A0 5 4 -0.671700 0.420000 0.000000 9 2 6 A0A0A0 6 5 -1.456300 0.165000 0.000000 9 2 6 A0A0A0 7 5 -1.627800 -0.641900 0.000000 9 2 6 A0A0A0 8 5 -1.014700 -1.194000 0.000000 9 2 6 A0A0A0 9 26 -0.230100 -0.939000 0.000000 9 43 7 5757FF 10 5 -0.058600 -0.132100 0.000000 9 2 6 A0A0A0 11 5 0.568800 -1.144800 0.000000 9 2 6 A0A0A0 12 5 1.308000 -0.778300 0.000000 9 2 6 A0A0A0 ::: } m_bond[13] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 2 3 1 4 3 12 1 5 4 5 1 6 5 6 1 7 5 10 1 8 6 7 1 9 7 8 1 10 8 9 1 11 9 10 1 12 9 11 1 13 11 12 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 25" 26 templates.26 templates templates 0 2 m_atom[13] { # 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 s_m_color_rgb ::: 1 5 0.720600 1.025900 0.000000 9 2 6 A0A0A0 2 4 0.004100 0.617000 0.000000 9 2 6 A0A0A0 3 3 -0.000000 -0.208000 0.000000 9 2 6 A0A0A0 4 5 0.712400 -0.624100 0.000000 9 2 6 A0A0A0 5 5 1.428900 -0.215200 0.000000 9 2 6 A0A0A0 6 5 1.433000 0.609800 0.000000 9 2 6 A0A0A0 7 4 -0.708300 1.033000 0.000000 9 2 6 A0A0A0 8 5 -1.424800 0.624100 0.000000 9 2 6 A0A0A0 9 4 -1.428900 -0.200900 0.000000 9 2 6 A0A0A0 10 5 -0.716500 -0.617000 0.000000 9 2 6 A0A0A0 11 5 -0.712400 0.208000 0.000000 9 2 6 A0A0A0 12 5 -0.004100 -1.033000 0.000000 9 2 6 A0A0A0 13 4 -1.433000 -1.025900 0.000000 9 2 6 A0A0A0 ::: } m_bond[16] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 2 7 1 5 3 4 1 6 3 10 1 7 3 12 1 8 4 5 1 9 5 6 1 10 7 8 1 11 7 11 1 12 8 9 1 13 9 10 1 14 9 13 1 15 11 13 1 16 12 13 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 26" 27 templates.27 templates templates 0 2 m_atom[31] { # 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 s_m_color_rgb ::: 1 7 2.987600 -0.759300 0.000000 9 2 6 A0A0A0 2 25 3.226500 0.030300 0.000000 9 43 7 5757FF 3 7 2.549300 0.501500 0.000000 9 2 6 A0A0A0 4 25 1.891900 0.003100 0.000000 9 43 7 5757FF 5 2 2.162800 -0.776200 0.000000 9 2 6 A0A0A0 6 5 1.081600 0.158100 0.000000 9 2 6 A0A0A0 7 2 0.810700 0.937400 0.000000 9 2 6 A0A0A0 8 7 1.350100 1.561600 0.000000 9 2 6 A0A0A0 9 5 1.079200 2.340900 0.000000 9 2 6 A0A0A0 10 5 0.268900 2.495900 0.000000 9 2 6 A0A0A0 11 4 -0.270500 1.871600 0.000000 9 2 6 A0A0A0 12 5 0.000400 1.092400 0.000000 9 2 6 A0A0A0 13 16 -1.068900 2.030800 0.000000 9 70 8 FF2F2F 14 2 -1.608300 1.406600 0.000000 9 2 6 A0A0A0 15 7 -1.337400 0.627300 0.000000 9 2 6 A0A0A0 16 2 -1.876800 0.003100 0.000000 9 2 6 A0A0A0 17 2 -2.687100 0.158100 0.000000 9 2 6 A0A0A0 18 7 -2.958000 0.937400 0.000000 9 2 6 A0A0A0 19 7 -2.418600 1.561600 0.000000 9 2 6 A0A0A0 20 7 -3.226500 -0.466100 0.000000 9 2 6 A0A0A0 21 7 -2.955600 -1.245400 0.000000 9 2 6 A0A0A0 22 7 -2.145300 -1.400400 0.000000 9 2 6 A0A0A0 23 2 -1.605900 -0.776200 0.000000 9 2 6 A0A0A0 24 25 -0.795600 -0.931200 0.000000 9 43 7 5757FF 25 5 -0.524700 -1.710400 0.000000 9 2 6 A0A0A0 26 4 0.285600 -1.865500 0.000000 9 2 6 A0A0A0 27 5 0.559100 -1.087100 0.000000 9 2 6 A0A0A0 28 5 -0.065100 -0.547700 0.000000 9 2 6 A0A0A0 29 27 0.817800 -2.495900 0.000000 9 43 7 5757FF 30 5 1.597000 -2.225000 0.000000 9 2 6 A0A0A0 31 5 1.623400 -1.400400 0.000000 9 2 6 A0A0A0 ::: } m_bond[36] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 5 2 3 2 3 2 4 3 4 1 5 4 5 1 6 4 6 1 7 5 31 1 8 6 7 1 9 7 8 2 10 7 12 1 11 8 9 1 12 9 10 1 13 10 11 1 14 11 12 1 15 11 13 1 16 13 14 1 17 14 15 2 18 14 19 1 19 15 16 1 20 16 17 2 21 16 23 1 22 17 18 1 23 17 20 1 24 18 19 2 25 20 21 2 26 21 22 1 27 22 23 2 28 23 24 1 29 24 25 1 30 24 28 1 31 25 26 1 32 26 27 1 33 26 29 1 34 27 28 1 35 29 30 1 36 30 31 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 27" 28 templates.28 templates templates 0 2 m_atom[24] { # 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 s_m_color_rgb ::: 1 5 -1.571300 -2.185400 0.000000 9 2 6 A0A0A0 2 5 -1.571300 -1.360400 0.000000 9 2 6 A0A0A0 3 4 -0.856800 -2.597900 0.000000 9 2 6 A0A0A0 4 4 -0.142400 -2.185400 0.000000 9 2 6 A0A0A0 5 4 -0.142400 -1.360400 0.000000 9 2 6 A0A0A0 6 4 -0.856800 -0.947900 0.000000 9 2 6 A0A0A0 7 5 0.572100 -2.597900 0.000000 9 2 6 A0A0A0 8 4 1.286600 -2.185400 0.000000 9 2 6 A0A0A0 9 5 1.286600 -1.360400 0.000000 9 2 6 A0A0A0 10 4 0.572100 -0.947900 0.000000 9 2 6 A0A0A0 11 5 1.454800 -0.480400 0.000000 9 2 6 A0A0A0 12 5 2.169200 -0.892900 0.000000 9 2 6 A0A0A0 13 5 2.169200 -1.717900 0.000000 9 2 6 A0A0A0 14 5 -0.643300 -1.801000 0.000000 9 2 6 A0A0A0 15 5 -0.444300 -0.233400 0.000000 9 2 6 A0A0A0 16 5 -0.444300 0.591600 0.000000 9 2 6 A0A0A0 17 3 -1.158800 1.004100 0.000000 9 2 6 A0A0A0 18 5 -1.571300 0.289600 0.000000 9 2 6 A0A0A0 19 5 -1.571300 -0.535400 0.000000 9 2 6 A0A0A0 20 5 -0.575400 1.587500 0.000000 9 2 6 A0A0A0 21 27 -0.789000 2.384300 0.000000 9 43 7 5757FF 22 5 -1.585900 2.597900 0.000000 9 2 6 A0A0A0 23 5 -2.169200 2.014500 0.000000 9 2 6 A0A0A0 24 5 -1.955700 1.217600 0.000000 9 2 6 A0A0A0 ::: } m_bond[28] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 6 1 4 3 4 1 5 3 14 1 6 4 5 1 7 4 7 1 8 5 6 1 9 5 10 1 10 6 15 1 11 7 8 1 12 8 9 1 13 8 13 1 14 9 10 1 15 10 11 1 16 11 12 1 17 12 13 1 18 14 19 1 19 15 16 1 20 16 17 1 21 17 18 1 22 17 20 1 23 17 24 1 24 18 19 1 25 20 21 1 26 21 22 1 27 22 23 1 28 23 24 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 28" 29 templates.29 templates templates 0 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 s_m_color_rgb ::: 1 5 -2.500600 1.835100 0.000000 9 2 6 A0A0A0 2 5 -2.500600 1.010100 0.000000 9 2 6 A0A0A0 3 4 -1.786200 0.597600 0.000000 9 2 6 A0A0A0 4 4 -1.071700 1.010100 0.000000 9 2 6 A0A0A0 5 4 -1.071700 1.835100 0.000000 9 2 6 A0A0A0 6 5 -1.786200 2.247600 0.000000 9 2 6 A0A0A0 7 5 -0.357200 0.597600 0.000000 9 2 6 A0A0A0 8 4 0.357200 1.010100 0.000000 9 2 6 A0A0A0 9 5 0.357200 1.835100 0.000000 9 2 6 A0A0A0 10 5 -0.357200 2.247600 0.000000 9 2 6 A0A0A0 11 4 1.071700 0.597600 0.000000 9 2 6 A0A0A0 12 4 1.071700 -0.227400 0.000000 9 2 6 A0A0A0 13 4 1.786200 -0.639900 0.000000 9 2 6 A0A0A0 14 5 2.500600 -0.227400 0.000000 9 2 6 A0A0A0 15 5 2.500600 0.597600 0.000000 9 2 6 A0A0A0 16 5 1.786200 1.010100 0.000000 9 2 6 A0A0A0 17 5 0.458600 -0.779400 0.000000 9 2 6 A0A0A0 18 4 0.794200 -1.533100 0.000000 9 2 6 A0A0A0 19 5 1.614700 -1.446900 0.000000 9 2 6 A0A0A0 20 5 0.381700 -2.247600 0.000000 9 2 6 A0A0A0 21 5 -0.470800 -2.247600 0.000000 9 2 6 A0A0A0 22 4 -0.988300 -1.678000 0.000000 9 2 6 A0A0A0 23 5 -1.047700 -0.855200 0.000000 9 2 6 A0A0A0 24 4 -1.848600 -0.657300 0.000000 9 2 6 A0A0A0 25 5 -2.284300 -1.357900 0.000000 9 2 6 A0A0A0 26 5 -1.752600 -1.988800 0.000000 9 2 6 A0A0A0 27 5 -2.311500 0.025600 0.000000 9 2 6 A0A0A0 ::: } m_bond[32] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 3 4 1 5 3 27 1 6 4 5 1 7 4 7 1 8 5 6 1 9 5 10 1 10 7 8 1 11 8 9 1 12 8 11 1 13 9 10 1 14 11 12 1 15 11 16 1 16 12 13 1 17 12 17 1 18 13 14 1 19 13 19 1 20 14 15 1 21 15 16 1 22 17 18 1 23 18 19 1 24 18 20 1 25 20 21 1 26 21 22 1 27 22 23 1 28 22 26 1 29 23 24 1 30 24 25 1 31 24 27 1 32 25 26 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 29" 30 templates.30 templates templates 0 2 m_atom[22] { # 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 s_m_color_rgb ::: 1 7 -1.786200 -0.825000 0.000000 9 2 6 A0A0A0 2 7 -2.500600 -0.412500 0.000000 9 2 6 A0A0A0 3 7 -2.500600 0.412500 0.000000 9 2 6 A0A0A0 4 7 -1.786200 0.825000 0.000000 9 2 6 A0A0A0 5 2 -1.071700 0.412500 0.000000 9 2 6 A0A0A0 6 2 -1.071700 -0.412500 0.000000 9 2 6 A0A0A0 7 29 -0.357200 0.825000 0.000000 9 43 7 5757FF 8 5 -0.357200 1.650000 0.000000 9 2 6 A0A0A0 9 29 0.357200 2.062500 0.000000 9 43 7 5757FF 10 2 1.071700 1.650000 0.000000 9 2 6 A0A0A0 11 25 1.071700 0.825000 0.000000 9 43 7 5757FF 12 2 1.786200 0.412500 0.000000 9 2 6 A0A0A0 13 7 2.500600 0.825000 0.000000 9 2 6 A0A0A0 14 25 2.500600 1.650000 0.000000 9 43 7 5757FF 15 7 1.786200 2.062500 0.000000 9 2 6 A0A0A0 16 16 1.786200 -0.412500 0.000000 9 70 8 FF2F2F 17 5 2.305400 -1.053600 0.000000 9 2 6 A0A0A0 18 5 1.892900 -1.768100 0.000000 9 2 6 A0A0A0 19 5 1.071700 -1.650000 0.000000 9 2 6 A0A0A0 20 5 0.357200 -2.062500 0.000000 9 2 6 A0A0A0 21 5 -0.357200 -1.650000 0.000000 9 2 6 A0A0A0 22 16 -0.357200 -0.825000 0.000000 9 70 8 FF2F2F ::: } m_bond[24] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 6 1 3 2 3 1 4 3 4 2 5 4 5 1 6 5 6 2 7 5 7 1 8 6 22 1 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 2 13 10 15 1 14 11 12 1 15 12 13 2 16 12 16 1 17 13 14 1 18 14 15 2 19 16 17 1 20 17 18 1 21 18 19 1 22 19 20 1 23 20 21 1 24 21 22 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 30" 31 templates.31 templates templates 0 2 m_atom[17] { # 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_m_formal_charge s_m_color_rgb ::: 1 7 -0.968700 0.294000 0.000000 9 2 6 0 A0A0A0 2 7 -1.774900 0.119000 0.000000 9 2 6 0 A0A0A0 3 5 -2.026400 -0.666800 0.000000 9 2 6 0 A0A0A0 4 5 -1.471700 -1.277400 0.000000 9 2 6 0 A0A0A0 5 4 -0.665500 -1.102400 0.000000 9 2 6 0 A0A0A0 6 3 -0.414000 -0.316600 0.000000 9 2 6 0 A0A0A0 7 16 0.004100 -1.584400 0.000000 9 70 8 0 FF2F2F 8 2 0.669400 -1.096500 0.000000 9 2 6 0 A0A0A0 9 2 0.411000 -0.313000 0.000000 9 2 6 0 A0A0A0 10 2 0.960300 0.302500 0.000000 9 2 6 0 A0A0A0 11 7 1.768000 0.134500 0.000000 9 2 6 0 A0A0A0 12 7 2.026400 -0.649000 0.000000 9 2 6 0 A0A0A0 13 7 1.477100 -1.264500 0.000000 9 2 6 0 A0A0A0 14 7 0.951700 1.127400 0.000000 9 2 6 0 A0A0A0 15 36 0.374800 1.584400 0.000000 9 43 7 1 5757FF 16 5 -0.444400 1.383500 0.000000 9 2 6 0 A0A0A0 17 5 -0.644900 0.659400 0.000000 9 2 6 0 A0A0A0 ::: } m_bond[20] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 6 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 7 1 8 6 9 1 9 6 17 1 10 7 8 1 11 8 9 2 12 8 13 1 13 9 10 1 14 10 11 2 15 10 14 1 16 11 12 1 17 12 13 2 18 14 15 2 19 15 16 1 20 16 17 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 31" 32 templates.32 templates templates 0 2 m_atom[36] { # 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 s_m_color_rgb ::: 1 5 -1.581700 0.344600 0.000000 9 2 6 A0A0A0 2 16 -1.169200 -0.369900 0.000000 9 70 8 FF2F2F 3 5 -1.581700 -1.084300 0.000000 9 2 6 A0A0A0 4 4 -2.351900 -1.380000 0.000000 9 2 6 A0A0A0 5 26 -2.351900 -2.205000 0.000000 9 43 7 5757FF 6 5 -1.581700 -2.500600 0.000000 9 2 6 A0A0A0 7 5 -1.169200 -3.215100 0.000000 9 2 6 A0A0A0 8 5 -3.066400 -2.617500 0.000000 9 2 6 A0A0A0 9 5 -3.780800 -2.205000 0.000000 9 2 6 A0A0A0 10 5 -3.780800 -1.380000 0.000000 9 2 6 A0A0A0 11 5 -3.066400 -0.967500 0.000000 9 2 6 A0A0A0 12 5 -1.169200 1.059100 0.000000 9 2 6 A0A0A0 13 5 -1.581700 1.786200 0.000000 9 2 6 A0A0A0 14 5 -1.169200 2.500600 0.000000 9 2 6 A0A0A0 15 7 -0.344200 2.500600 0.000000 9 2 6 A0A0A0 16 7 0.068300 3.215100 0.000000 9 2 6 A0A0A0 17 5 0.893300 3.215100 0.000000 9 2 6 A0A0A0 18 5 1.305800 3.929600 0.000000 9 2 6 A0A0A0 19 5 2.130800 3.929600 0.000000 9 2 6 A0A0A0 20 5 2.543300 3.215100 0.000000 9 2 6 A0A0A0 21 5 3.368300 3.215100 0.000000 9 2 6 A0A0A0 22 5 3.780800 2.500600 0.000000 9 2 6 A0A0A0 23 7 3.368300 1.786200 0.000000 9 2 6 A0A0A0 24 7 3.780800 1.071700 0.000000 9 2 6 A0A0A0 25 7 3.368300 0.357200 0.000000 9 2 6 A0A0A0 26 7 3.780800 -0.357200 0.000000 9 2 6 A0A0A0 27 7 3.368300 -1.071700 0.000000 9 2 6 A0A0A0 28 7 2.543300 -1.071700 0.000000 9 2 6 A0A0A0 29 5 2.130800 -1.786200 0.000000 9 2 6 A0A0A0 30 5 1.305800 -1.786200 0.000000 9 2 6 A0A0A0 31 4 0.893300 -2.500600 0.000000 9 2 6 A0A0A0 32 16 0.068300 -2.500600 0.000000 9 70 8 FF2F2F 33 5 1.305800 -3.215100 0.000000 9 2 6 A0A0A0 34 5 0.893300 -3.929600 0.000000 9 2 6 A0A0A0 35 5 0.068300 -3.929600 0.000000 9 2 6 A0A0A0 36 4 -0.344200 -3.215100 0.000000 9 2 6 A0A0A0 ::: } m_bond[38] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 12 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 11 1 7 5 6 1 8 5 8 1 9 6 7 1 10 7 36 1 11 8 9 1 12 9 10 1 13 10 11 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 2 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 23 24 2 26 24 25 1 27 25 26 2 28 26 27 1 29 27 28 2 30 28 29 1 31 29 30 1 32 30 31 1 33 31 32 1 34 31 33 1 35 32 36 1 36 33 34 1 37 34 35 1 38 35 36 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 32" 33 templates.33 templates templates 0 2 m_atom[8] { # 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 s_m_color_rgb ::: 1 159 -5.738900 2.484100 0.000000 9 4 26 1E1EE1 2 49 -4.501700 3.198400 0.000000 9 13 16 E1E11E 3 159 -4.501700 4.627000 0.000000 9 4 26 1E1EE1 4 49 -5.738900 5.341300 0.000000 9 13 16 E1E11E 5 159 -6.976100 4.627000 0.000000 9 4 26 1E1EE1 6 49 -6.976100 3.198400 0.000000 9 13 16 E1E11E 7 163 -6.296900 3.863900 0.000000 9 4 26 1E1EE1 8 49 -4.863700 3.914300 0.000000 9 13 16 E1E11E ::: } m_bond[15] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 8 1 3 1 6 1 4 1 7 1 5 2 3 1 6 2 7 1 7 3 4 1 8 3 7 1 9 3 8 1 10 4 5 1 11 4 7 1 12 5 6 1 13 5 7 1 14 5 8 1 15 6 7 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 33" 34 templates.34 templates templates 0 2 m_atom[16] { # 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 s_m_color_rgb ::: 1 4 0.054000 -2.473800 0.000000 9 2 6 A0A0A0 2 5 1.276000 -3.213500 0.000000 9 2 6 A0A0A0 3 5 0.741100 -1.221300 0.000000 9 2 6 A0A0A0 4 27 -1.374200 -2.504900 0.000000 9 43 7 5757FF 5 5 2.684500 -2.974700 0.000000 9 2 6 A0A0A0 6 5 3.594400 -1.873400 0.000000 9 2 6 A0A0A0 7 5 3.563300 -0.445200 0.000000 9 2 6 A0A0A0 8 4 2.606200 0.615400 0.000000 9 2 6 A0A0A0 9 4 1.188600 0.792400 0.000000 9 2 6 A0A0A0 10 26 0.000000 0.000000 0.000000 9 43 7 5757FF 11 5 -1.428200 -0.031200 0.000000 9 2 6 A0A0A0 12 5 -2.115300 -1.283600 0.000000 9 2 6 A0A0A0 13 5 3.468300 1.754600 0.000000 9 2 6 A0A0A0 14 5 2.912700 3.070700 0.000000 9 2 6 A0A0A0 15 5 1.495200 3.247700 0.000000 9 2 6 A0A0A0 16 5 0.633100 2.108500 0.000000 9 2 6 A0A0A0 ::: } m_bond[18] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 3 10 1 6 4 12 1 7 5 6 1 8 6 7 1 9 7 8 1 10 8 9 1 11 8 13 1 12 9 10 1 13 9 16 1 14 10 11 1 15 11 12 1 16 13 14 1 17 14 15 1 18 15 16 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 34" 35 templates.35 templates templates 0 2 m_atom[12] { # 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 s_m_color_rgb ::: 1 4 0.395900 -0.729500 0.000000 9 2 6 A0A0A0 2 5 -0.309800 -1.156700 0.000000 9 2 6 A0A0A0 3 5 -1.123200 -1.018800 0.000000 9 2 6 A0A0A0 4 5 -1.648700 -0.382800 0.000000 9 2 6 A0A0A0 5 5 -1.630700 0.442000 0.000000 9 2 6 A0A0A0 6 5 -1.078000 1.054500 0.000000 9 2 6 A0A0A0 7 5 -0.259300 1.156700 0.000000 9 2 6 A0A0A0 8 26 0.427100 0.699100 0.000000 9 43 7 5757FF 9 5 -0.000900 -0.006200 0.000000 9 2 6 A0A0A0 10 5 1.251900 0.681100 0.000000 9 2 6 A0A0A0 11 5 1.648700 -0.042200 0.000000 9 2 6 A0A0A0 12 27 1.220700 -0.747500 0.000000 9 43 7 5757FF ::: } m_bond[13] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 9 1 3 1 12 1 4 2 3 1 5 3 4 1 6 4 5 1 7 5 6 1 8 6 7 1 9 7 8 1 10 8 9 1 11 8 10 1 12 10 11 1 13 11 12 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 35" 36 templates.36 templates templates 0 2 m_atom[26] { # 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 s_m_color_rgb ::: 1 5 0.199200 1.547900 0.000000 9 2 6 A0A0A0 2 16 0.706200 2.198700 0.000000 9 70 8 FF2F2F 3 5 1.520600 2.066500 0.000000 9 2 6 A0A0A0 4 2 1.795700 1.288700 0.000000 9 2 6 A0A0A0 5 2 1.330900 0.607100 0.000000 9 2 6 A0A0A0 6 3 0.526600 0.790700 0.000000 9 2 6 A0A0A0 7 7 2.618300 1.227100 0.000000 9 2 6 A0A0A0 8 7 2.976300 0.483800 0.000000 9 2 6 A0A0A0 9 7 2.511600 -0.197900 0.000000 9 2 6 A0A0A0 10 2 1.688900 -0.136200 0.000000 9 2 6 A0A0A0 11 5 1.330900 -0.879500 0.000000 9 2 6 A0A0A0 12 4 0.526600 -1.063100 0.000000 9 2 6 A0A0A0 13 5 -0.006400 -0.136200 0.000000 9 2 6 A0A0A0 14 4 -0.118400 -0.548700 0.000000 9 2 6 A0A0A0 15 4 -0.118400 0.276300 0.000000 9 2 6 A0A0A0 16 5 -0.832900 0.688800 0.000000 9 2 6 A0A0A0 17 4 -1.547400 0.276300 0.000000 9 2 6 A0A0A0 18 2 -1.547400 -0.548700 0.000000 9 2 6 A0A0A0 19 2 -0.832900 -0.961200 0.000000 9 2 6 A0A0A0 20 7 -0.832900 -1.786200 0.000000 9 2 6 A0A0A0 21 7 -1.547400 -2.198700 0.000000 9 2 6 A0A0A0 22 7 -2.261800 -1.786200 0.000000 9 2 6 A0A0A0 23 2 -2.261800 -0.961200 0.000000 9 2 6 A0A0A0 24 5 -2.976300 -0.548700 0.000000 9 2 6 A0A0A0 25 16 -2.976300 0.276300 0.000000 9 70 8 FF2F2F 26 5 -2.261800 0.688800 0.000000 9 2 6 A0A0A0 ::: } m_bond[32] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 3 4 1 5 4 5 2 6 4 7 1 7 5 6 1 8 5 10 1 9 6 13 1 10 6 15 1 11 7 8 2 12 8 9 1 13 9 10 2 14 10 11 1 15 11 12 1 16 12 13 1 17 12 14 1 18 14 15 1 19 14 19 1 20 15 16 1 21 16 17 1 22 17 18 1 23 17 26 1 24 18 19 2 25 18 23 1 26 19 20 1 27 20 21 2 28 21 22 1 29 22 23 2 30 23 24 1 31 24 25 1 32 25 26 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 36" 37 templates.37 templates templates 0 2 m_atom[19] { # 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 s_m_color_rgb ::: 1 5 -1.153600 -1.494700 0.000000 9 2 6 A0A0A0 2 5 -1.957900 -1.311100 0.000000 9 2 6 A0A0A0 3 4 -2.315900 -0.567800 0.000000 9 2 6 A0A0A0 4 5 -1.231600 -0.219500 0.000000 9 2 6 A0A0A0 5 5 -1.957900 0.175500 0.000000 9 2 6 A0A0A0 6 5 -1.153600 0.359100 0.000000 9 2 6 A0A0A0 7 4 -0.508600 -0.155300 0.000000 9 2 6 A0A0A0 8 3 -0.508600 -0.980300 0.000000 9 2 6 A0A0A0 9 3 0.205800 0.257200 0.000000 9 2 6 A0A0A0 10 4 0.920300 -0.155300 0.000000 9 2 6 A0A0A0 11 4 1.634800 0.257200 0.000000 9 2 6 A0A0A0 12 5 2.315900 -0.027000 0.000000 9 2 6 A0A0A0 13 5 1.787601 -0.327842 0.000000 9 2 6 A0A0A0 14 5 0.954927 0.369280 0.000000 9 2 6 A0A0A0 15 5 1.634800 1.082200 0.000000 9 2 6 A0A0A0 16 16 0.920300 1.494700 0.000000 9 70 8 FF2F2F 17 5 0.205800 1.082200 0.000000 9 2 6 A0A0A0 18 5 0.920300 -0.980300 0.000000 9 2 6 A0A0A0 19 5 0.205800 -1.392800 0.000000 9 2 6 A0A0A0 ::: } m_bond[23] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 8 1 3 2 3 1 4 3 4 1 5 3 5 1 6 4 8 1 7 5 6 1 8 6 7 1 9 7 8 1 10 7 9 1 11 8 19 1 12 9 10 1 13 9 14 1 14 9 17 1 15 10 11 1 16 10 18 1 17 11 12 1 18 11 15 1 19 12 13 1 20 13 14 1 21 15 16 1 22 16 17 1 23 18 19 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 37" 38 templates.38 templates templates 0 2 m_atom[14] { # 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 s_m_color_rgb s_m_atom_name ::: 1 27 1.428900 -0.412500 0.000000 9 43 7 5757FF "N1" 2 16 1.428900 0.412500 0.000000 9 70 8 FF2F2F "O2" 3 4 0.714500 -0.825000 0.000000 9 2 6 A0A0A0 "" 4 4 0.000000 -0.412500 0.000000 9 2 6 A0A0A0 "" 5 4 0.000000 0.412500 0.000000 9 2 6 A0A0A0 "" 6 4 0.714500 0.825000 0.000000 9 2 6 A0A0A0 "" 7 7 1.056500 0.309400 0.000000 9 2 6 A0A0A0 "C7" 8 7 1.056500 -0.309400 0.000000 9 2 6 A0A0A0 "C8" 9 4 -0.714500 0.825000 0.000000 9 2 6 A0A0A0 "" 10 25 -1.428900 0.412500 0.000000 9 43 7 5757FF "N10" 11 25 -1.428900 -0.412500 0.000000 9 43 7 5757FF "N11" 12 4 -0.714500 -0.825000 0.000000 9 2 6 A0A0A0 "" 13 5 -1.056500 -0.309400 0.000000 9 2 6 A0A0A0 "" 14 5 -1.056500 0.309400 0.000000 9 2 6 A0A0A0 "" ::: } m_bond[17] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 6 1 4 3 4 1 5 3 8 1 6 4 5 1 7 4 12 1 8 5 6 1 9 5 9 1 10 6 7 1 11 7 8 2 12 9 10 1 13 9 14 1 14 10 11 2 15 11 12 1 16 12 13 1 17 13 14 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 38" 39 templates.39 templates templates 0 2 m_atom[17] { # 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 s_m_color_rgb ::: 1 5 0.964500 -1.031400 0.000000 9 2 6 A0A0A0 2 5 1.771500 -0.859900 0.000000 9 2 6 A0A0A0 3 5 2.026400 -0.075300 0.000000 9 2 6 A0A0A0 4 4 1.474400 0.537800 0.000000 9 2 6 A0A0A0 5 5 0.908100 1.031400 0.000000 9 2 6 A0A0A0 6 16 0.083100 0.343900 0.000000 9 70 8 FF2F2F 7 4 0.667400 0.366300 0.000000 9 2 6 A0A0A0 8 5 -0.000000 0.851200 0.000000 9 2 6 A0A0A0 9 2 -0.667400 0.366300 0.000000 9 2 6 A0A0A0 10 3 -0.412500 -0.418300 0.000000 9 2 6 A0A0A0 11 3 0.412500 -0.418300 0.000000 9 2 6 A0A0A0 12 7 -1.474400 0.537800 0.000000 9 2 6 A0A0A0 13 4 -2.026400 -0.075300 0.000000 9 2 6 A0A0A0 14 5 -1.593200 -0.517100 0.000000 9 2 6 A0A0A0 15 5 -0.988000 -0.645700 0.000000 9 2 6 A0A0A0 16 5 -1.771500 -0.859900 0.000000 9 2 6 A0A0A0 17 5 -0.964500 -1.031400 0.000000 9 2 6 A0A0A0 ::: } m_bond[21] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 11 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 7 1 7 5 6 1 8 6 11 1 9 7 8 1 10 7 11 1 11 8 9 1 12 9 10 1 13 9 12 2 14 10 11 1 15 10 15 1 16 10 17 1 17 12 13 1 18 13 14 1 19 13 16 1 20 14 15 1 21 16 17 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 39" 40 templates.40 templates templates 0 2 m_atom[16] { # 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 s_m_color_rgb s_m_atom_name ::: 1 27 -0.995900 1.579200 0.000000 9 43 7 5757FF "N1" 2 5 -1.579200 0.995900 0.000000 9 2 6 A0A0A0 "" 3 3 -0.995900 0.412500 0.000000 9 2 6 A0A0A0 "" 4 3 -0.412500 0.995900 0.000000 9 2 6 A0A0A0 "" 5 5 -0.412500 -0.170900 0.000000 9 2 6 A0A0A0 "" 6 5 0.170900 0.412500 0.000000 9 2 6 A0A0A0 "" 7 5 -0.995900 -0.412500 0.000000 9 2 6 A0A0A0 "" 8 5 -0.412500 -0.995900 0.000000 9 2 6 A0A0A0 "" 9 3 0.412500 -0.995900 0.000000 9 2 6 A0A0A0 "" 10 3 0.995900 -0.412500 0.000000 9 2 6 A0A0A0 "" 11 5 0.995900 0.412500 0.000000 9 2 6 A0A0A0 "" 12 5 0.412500 0.995900 0.000000 9 2 6 A0A0A0 "" 13 5 1.102600 -0.810900 0.000000 9 2 6 A0A0A0 "" 14 5 0.510524 -1.402976 0.000000 9 2 6 A0A0A0 "" 15 27 1.579200 -0.995900 0.000000 9 43 7 5757FF "N15" 16 27 0.995900 -1.579200 0.000000 9 43 7 5757FF "N16" ::: } m_bond[20] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 2 3 1 4 3 4 1 5 3 5 1 6 3 7 1 7 4 6 1 8 4 12 1 9 5 6 1 10 7 8 1 11 8 9 1 12 9 10 1 13 9 14 1 14 9 16 1 15 10 11 1 16 10 13 1 17 10 15 1 18 11 12 1 19 13 14 1 20 15 16 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: twistane 41 templates.41 templates templates 0 2 m_atom[10] { # 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 s_m_color_rgb ::: 1 4 0.000000 0.000000 0.000000 9 2 6 A0A0A0 2 4 1.714300 0.857100 0.000000 9 2 6 A0A0A0 3 27 -1.428600 0.428600 0.000000 9 43 7 5757FF 4 27 0.142900 -1.428600 0.000000 9 43 7 5757FF 5 5 1.571400 2.285700 0.000000 9 2 6 A0A0A0 6 5 3.142900 0.428600 0.000000 9 2 6 A0A0A0 7 5 0.142900 2.285700 0.000000 9 2 6 A0A0A0 8 4 0.000000 0.857100 0.000000 9 2 6 A0A0A0 9 4 1.714300 0.000000 0.000000 9 2 6 A0A0A0 10 5 1.571400 -1.428600 0.000000 9 2 6 A0A0A0 ::: } m_bond[12] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 1 4 1 4 2 5 1 5 2 6 1 6 3 8 1 7 4 10 1 8 5 7 1 9 6 9 1 10 7 8 1 11 8 9 1 12 9 10 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 41" 42 templates.42 templates templates 0 2 m_atom[10] { # 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 s_m_color_rgb s_m_atom_name ::: 1 27 -0.370900 2.674900 0.000000 9 43 7 5757FF "N1" 2 26 0.866300 3.103500 0.000000 9 43 7 5757FF "N2" 3 158 -0.370900 1.246300 0.000000 9 20 8 9F5F9F "3" 4 27 2.103500 2.674900 0.000000 9 43 7 5757FF "N4" 5 5 1.580600 2.152000 0.000000 9 2 6 A0A0A0 "" 6 4 2.103500 1.246300 0.000000 9 2 6 A0A0A0 "" 7 5 0.866300 0.817800 0.000000 9 2 6 A0A0A0 "" 8 5 2.817800 0.294900 0.000000 9 2 6 A0A0A0 "" 9 5 0.343400 0.294900 0.000000 9 2 6 A0A0A0 "" 10 4 1.580600 0.723400 0.000000 9 2 6 A0A0A0 "" ::: } m_bond[12] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 9 1 6 3 7 1 7 4 6 1 8 5 10 1 9 6 7 1 10 6 8 1 11 8 10 1 12 9 10 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 42" 43 templates.43 templates templates 0 2 m_atom[11] { # 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 s_m_color_rgb ::: 1 7 2.259400 -2.751000 0.000000 9 2 6 A0A0A0 2 7 3.230400 -1.703100 0.000000 9 2 6 A0A0A0 3 4 0.947900 -2.321500 0.000000 9 2 6 A0A0A0 4 4 0.600500 -1.146200 0.000000 9 2 6 A0A0A0 5 5 -0.515400 -2.828800 0.000000 9 2 6 A0A0A0 6 5 -1.525500 -1.818600 0.000000 9 2 6 A0A0A0 7 2 1.380300 -0.368400 0.000000 9 2 6 A0A0A0 8 2 0.000000 0.000000 0.000000 9 2 6 A0A0A0 9 5 2.157100 0.830500 0.000000 9 2 6 A0A0A0 10 5 1.257000 1.939800 0.000000 9 2 6 A0A0A0 11 5 -0.076200 1.426500 0.000000 9 2 6 A0A0A0 ::: } m_bond[13] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 3 1 3 2 4 1 4 3 7 1 5 3 5 1 6 4 8 1 7 4 6 1 8 5 6 1 9 7 9 1 10 7 8 2 11 8 11 1 12 9 10 1 13 10 11 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 43" 44 templates.44 templates templates 0 2 m_atom[30] { # 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 s_m_color_rgb ::: 1 2 -6.896800 -2.173600 0.000000 9 2 6 A0A0A0 2 2 -7.721800 -2.173600 0.000000 9 2 6 A0A0A0 3 7 -7.721800 -3.602600 0.000000 9 2 6 A0A0A0 4 7 -6.896800 -3.602600 0.000000 9 2 6 A0A0A0 5 2 -6.484300 -2.888100 0.000000 9 2 6 A0A0A0 6 5 -8.240900 -1.532500 0.000000 9 2 6 A0A0A0 7 4 -9.011100 -1.828100 0.000000 9 2 6 A0A0A0 8 16 -8.968000 -2.652000 0.000000 9 70 8 FF2F2F 9 2 -8.134300 -2.888100 0.000000 9 2 6 A0A0A0 10 16 -9.866900 -2.100600 0.000000 9 70 8 FF2F2F 11 5 -5.659300 -1.459100 0.000000 9 2 6 A0A0A0 12 5 -6.484300 -1.459100 0.000000 9 2 6 A0A0A0 13 7 -5.659300 -2.888100 0.000000 9 2 6 A0A0A0 14 2 -5.246800 -2.173600 0.000000 9 2 6 A0A0A0 15 29 -4.421800 -2.173600 0.000000 9 43 7 5757FF 16 5 -3.897300 -2.727500 0.000000 9 2 6 A0A0A0 17 7 -9.808000 -2.866700 0.000000 9 2 6 A0A0A0 18 7 -10.345700 -3.367600 0.000000 9 2 6 A0A0A0 19 5 -10.316300 -4.251500 0.000000 9 2 6 A0A0A0 20 5 -9.762400 -4.893800 0.000000 9 2 6 A0A0A0 21 5 -9.762400 -5.718800 0.000000 9 2 6 A0A0A0 22 5 -9.031700 -6.184300 0.000000 9 2 6 A0A0A0 23 5 -8.234800 -5.823400 0.000000 9 2 6 A0A0A0 24 5 -7.437600 -6.194200 0.000000 9 2 6 A0A0A0 25 5 -6.658500 -5.852900 0.000000 9 2 6 A0A0A0 26 5 -5.777300 -6.117100 0.000000 9 2 6 A0A0A0 27 7 -3.844700 -3.611200 0.000000 9 2 6 A0A0A0 28 7 -4.147600 -4.405900 0.000000 9 2 6 A0A0A0 29 7 -4.934100 -4.724500 0.000000 9 2 6 A0A0A0 30 7 -5.132900 -5.557900 0.000000 9 2 6 A0A0A0 ::: } m_bond[33] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 5 2 3 1 12 1 4 2 6 1 5 2 9 2 6 3 9 1 7 3 4 2 8 4 5 1 9 5 13 1 10 6 7 1 11 7 8 1 12 7 10 1 13 8 9 1 14 10 17 1 15 11 12 1 16 11 14 1 17 13 14 2 18 14 15 1 19 15 16 1 20 16 27 1 21 17 18 2 22 18 19 1 23 19 20 1 24 20 21 1 25 21 22 1 26 22 23 1 27 23 24 1 28 24 25 1 29 25 26 1 30 26 30 1 31 27 28 2 32 28 29 1 33 29 30 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 44" 45 templates.45 templates templates 0 2 m_atom[17] { # 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 s_m_color_rgb ::: 1 4 -0.044700 -0.793800 0.000000 9 2 6 A0A0A0 2 4 -0.044700 -1.618800 0.000000 9 2 6 A0A0A0 3 5 0.739900 -1.873700 0.000000 9 2 6 A0A0A0 4 5 1.224800 -1.206300 0.000000 9 2 6 A0A0A0 5 4 0.739900 -0.538800 0.000000 9 2 6 A0A0A0 6 4 -0.829300 -0.538800 0.000000 9 2 6 A0A0A0 7 5 -1.314300 -1.206300 0.000000 9 2 6 A0A0A0 8 5 -0.829300 -1.873700 0.000000 9 2 6 A0A0A0 9 5 -0.809300 0.245800 0.000000 9 2 6 A0A0A0 10 5 -1.428900 1.461200 0.000000 9 2 6 A0A0A0 11 5 -1.428900 0.636200 0.000000 9 2 6 A0A0A0 12 5 0.000000 1.461200 0.000000 9 2 6 A0A0A0 13 5 -0.714500 1.873700 0.000000 9 2 6 A0A0A0 14 5 0.714500 0.223700 0.000000 9 2 6 A0A0A0 15 5 1.428900 0.636200 0.000000 9 2 6 A0A0A0 16 5 1.428900 1.461200 0.000000 9 2 6 A0A0A0 17 5 0.714500 1.873700 0.000000 9 2 6 A0A0A0 ::: } m_bond[19] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 5 1 3 1 6 1 4 2 3 1 5 2 8 1 6 3 4 1 7 4 5 1 8 5 14 1 9 6 7 1 10 6 9 1 11 7 8 1 12 9 11 1 13 10 11 1 14 10 13 1 15 12 13 1 16 12 17 1 17 14 15 1 18 15 16 1 19 16 17 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 45" 46 templates.46 templates templates 0 2 m_atom[42] { # 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 s_m_color_rgb s_m_atom_name ::: 1 4 -2.143400 2.062500 0.000000 9 2 6 A0A0A0 "" 2 5 -1.428900 1.650000 0.000000 9 2 6 A0A0A0 "" 3 5 -0.714500 2.062500 0.000000 9 2 6 A0A0A0 "" 4 4 -0.714500 2.887500 0.000000 9 2 6 A0A0A0 "" 5 27 -1.428900 3.300000 0.000000 9 43 7 5757FF "N5" 6 27 -2.143400 2.887500 0.000000 9 43 7 5757FF "N6" 7 5 0.714500 2.062500 0.000000 9 2 6 A0A0A0 "" 8 4 0.714500 2.887500 0.000000 9 2 6 A0A0A0 "" 9 5 0.000000 3.300000 0.000000 9 2 6 A0A0A0 "" 10 5 1.428900 1.650000 0.000000 9 2 6 A0A0A0 "" 11 4 2.143400 2.062500 0.000000 9 2 6 A0A0A0 "" 12 27 2.143400 2.887500 0.000000 9 43 7 5757FF "N12" 13 27 1.428900 3.300000 0.000000 9 43 7 5757FF "N13" 14 5 -2.857900 1.650000 0.000000 9 2 6 A0A0A0 "" 15 4 -2.857900 0.825000 0.000000 9 2 6 A0A0A0 "" 16 27 -3.572400 0.412500 0.000000 9 43 7 5757FF "N16" 17 27 -3.572400 -0.412500 0.000000 9 43 7 5757FF "N17" 18 5 -2.143400 0.412500 0.000000 9 2 6 A0A0A0 "" 19 5 -2.143400 -0.412500 0.000000 9 2 6 A0A0A0 "" 20 4 -2.857900 -0.825000 0.000000 9 2 6 A0A0A0 "" 21 27 2.857900 1.650000 0.000000 9 43 7 5757FF "N21" 22 4 2.857900 0.825000 0.000000 9 2 6 A0A0A0 "" 23 5 -2.857900 -1.650000 0.000000 9 2 6 A0A0A0 "" 24 4 -2.143400 -2.062500 0.000000 9 2 6 A0A0A0 "" 25 5 -1.428900 -1.650000 0.000000 9 2 6 A0A0A0 "" 26 5 -0.714500 -2.062500 0.000000 9 2 6 A0A0A0 "" 27 4 -0.714500 -2.887500 0.000000 9 2 6 A0A0A0 "" 28 27 -1.428900 -3.300000 0.000000 9 43 7 5757FF "N28" 29 27 -2.143400 -2.887500 0.000000 9 43 7 5757FF "N29" 30 5 2.143400 0.412500 0.000000 9 2 6 A0A0A0 "" 31 5 2.143400 -0.412500 0.000000 9 2 6 A0A0A0 "" 32 4 2.857900 -0.825000 0.000000 9 2 6 A0A0A0 "" 33 27 3.572400 -0.412500 0.000000 9 43 7 5757FF "N33" 34 27 3.572400 0.412500 0.000000 9 43 7 5757FF "N34" 35 5 2.857900 -1.650000 0.000000 9 2 6 A0A0A0 "" 36 4 2.143400 -2.062500 0.000000 9 2 6 A0A0A0 "" 37 5 0.000000 -3.300000 0.000000 9 2 6 A0A0A0 "" 38 4 0.714500 -2.887500 0.000000 9 2 6 A0A0A0 "" 39 5 0.714500 -2.062500 0.000000 9 2 6 A0A0A0 "" 40 5 1.428900 -1.650000 0.000000 9 2 6 A0A0A0 "" 41 27 2.143400 -2.887500 0.000000 9 43 7 5757FF "N41" 42 27 1.428900 -3.300000 0.000000 9 43 7 5757FF "N42" ::: } m_bond[48] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 1 14 1 4 2 3 1 5 3 4 1 6 4 5 1 7 4 9 1 8 5 6 1 9 7 8 1 10 7 10 1 11 8 9 1 12 8 13 1 13 10 11 1 14 11 12 1 15 11 21 1 16 12 13 1 17 14 15 1 18 15 16 1 19 15 18 1 20 16 17 1 21 17 20 1 22 18 19 1 23 19 20 1 24 20 23 1 25 21 22 1 26 22 30 1 27 22 34 1 28 23 24 1 29 24 25 1 30 24 29 1 31 25 26 1 32 26 27 1 33 27 28 1 34 27 37 1 35 28 29 1 36 30 31 1 37 31 32 1 38 32 33 1 39 32 35 1 40 33 34 1 41 35 36 1 42 36 40 1 43 36 41 1 44 37 38 1 45 38 39 1 46 38 42 1 47 39 40 1 48 41 42 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 46" 47 templates.47 templates templates 0 2 m_atom[20] { # 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 s_m_color_rgb ::: 1 5 2.062500 -0.120700 0.000000 9 2 6 A0A0A0 2 5 1.649400 0.593500 0.000000 9 2 6 A0A0A0 3 4 1.650600 -0.835500 0.000000 9 2 6 A0A0A0 4 5 1.688500 -0.217900 0.000000 9 2 6 A0A0A0 5 5 1.378700 0.317700 0.000000 9 2 6 A0A0A0 6 4 0.825600 -0.836100 0.000000 9 2 6 A0A0A0 7 16 0.001000 -1.384000 0.000000 9 70 8 FF2F2F 8 2 -0.824400 -0.837400 0.000000 9 2 6 A0A0A0 9 7 -1.649400 -0.838000 0.000000 9 2 6 A0A0A0 10 7 -2.062500 -0.123900 0.000000 9 2 6 A0A0A0 11 7 -1.650600 0.590900 0.000000 9 2 6 A0A0A0 12 2 -0.412500 -0.122600 0.000000 9 2 6 A0A0A0 13 2 -0.825600 0.591500 0.000000 9 2 6 A0A0A0 14 5 -0.413600 1.306300 0.000000 9 2 6 A0A0A0 15 4 0.411400 1.307000 0.000000 9 2 6 A0A0A0 16 3 0.824400 0.592800 0.000000 9 2 6 A0A0A0 17 3 0.412500 -0.122000 0.000000 9 2 6 A0A0A0 18 27 1.336300 1.384000 0.000000 9 43 7 5757FF 19 5 1.822900 0.593600 0.000000 9 2 6 A0A0A0 20 5 1.337500 -0.197500 0.000000 9 2 6 A0A0A0 ::: } m_bond[25] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 16 1 4 3 4 1 5 3 6 1 6 4 5 1 7 5 16 1 8 6 7 1 9 6 17 1 10 7 8 1 11 8 9 2 12 8 12 1 13 9 10 1 14 10 11 2 15 11 13 1 16 12 13 2 17 12 17 1 18 13 14 1 19 14 15 1 20 15 16 1 21 15 18 1 22 16 17 1 23 17 20 1 24 18 19 1 25 19 20 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 47" 48 templates.48 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb ::: 1 5 2.062500 -0.120700 0.000000 9 2 6 A0A0A0 2 5 1.649400 0.593500 0.000000 9 2 6 A0A0A0 3 5 1.650600 -0.835500 0.000000 9 2 6 A0A0A0 4 4 0.825600 -0.836100 0.000000 9 2 6 A0A0A0 5 16 0.001000 -1.384000 0.000000 9 70 8 FF2F2F 6 2 -0.824400 -0.837400 0.000000 9 2 6 A0A0A0 7 7 -1.649400 -0.838000 0.000000 9 2 6 A0A0A0 8 7 -2.062500 -0.123900 0.000000 9 2 6 A0A0A0 9 7 -1.650600 0.590900 0.000000 9 2 6 A0A0A0 10 2 -0.412500 -0.122600 0.000000 9 2 6 A0A0A0 11 2 -0.825600 0.591500 0.000000 9 2 6 A0A0A0 12 5 -0.413600 1.306300 0.000000 9 2 6 A0A0A0 13 4 0.411400 1.307000 0.000000 9 2 6 A0A0A0 14 4 0.824400 0.592800 0.000000 9 2 6 A0A0A0 15 3 0.412500 -0.122000 0.000000 9 2 6 A0A0A0 16 27 1.336300 1.384000 0.000000 9 43 7 5757FF 17 5 1.822900 0.593600 0.000000 9 2 6 A0A0A0 18 5 1.337500 -0.197500 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 14 1 4 3 4 1 5 4 5 1 6 4 15 1 7 5 6 1 8 6 7 2 9 6 10 1 10 7 8 1 11 8 9 2 12 9 11 1 13 10 11 2 14 10 15 1 15 11 12 1 16 12 13 1 17 13 14 1 18 13 16 1 19 14 15 1 20 15 18 1 21 16 17 1 22 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 48" 49 templates.49 templates templates 0 2 m_atom[21] { # 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 s_m_color_rgb ::: 1 5 -1.428900 -1.443800 0.000000 9 2 6 A0A0A0 2 5 -1.428900 -2.268700 0.000000 9 2 6 A0A0A0 3 5 -0.714500 -2.681200 0.000000 9 2 6 A0A0A0 4 5 0.000000 -2.268700 0.000000 9 2 6 A0A0A0 5 5 0.000000 -1.443800 0.000000 9 2 6 A0A0A0 6 4 -0.714500 -1.031200 0.000000 9 2 6 A0A0A0 7 5 0.714500 -2.681200 0.000000 9 2 6 A0A0A0 8 5 1.428900 -2.268700 0.000000 9 2 6 A0A0A0 9 5 1.428900 -1.443800 0.000000 9 2 6 A0A0A0 10 4 0.714500 -1.031200 0.000000 9 2 6 A0A0A0 11 5 0.714500 -0.206200 0.000000 9 2 6 A0A0A0 12 5 -0.714500 -0.206200 0.000000 9 2 6 A0A0A0 13 5 -0.714500 1.443800 0.000000 9 2 6 A0A0A0 14 5 -1.428900 1.031200 0.000000 9 2 6 A0A0A0 15 5 -1.428900 0.206200 0.000000 9 2 6 A0A0A0 16 5 1.428900 0.206200 0.000000 9 2 6 A0A0A0 17 5 1.428900 1.031200 0.000000 9 2 6 A0A0A0 18 5 0.714500 1.443800 0.000000 9 2 6 A0A0A0 19 5 0.714500 2.268700 0.000000 9 2 6 A0A0A0 20 5 0.000000 2.681200 0.000000 9 2 6 A0A0A0 21 5 -0.714500 2.268700 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 3 4 1 5 4 7 1 6 5 6 1 7 5 10 1 8 6 12 1 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 16 1 14 12 15 1 15 13 14 1 16 13 21 1 17 14 15 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 49" 50 templates.50 templates templates 0 2 m_atom[25] { # 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 s_m_color_rgb ::: 1 4 1.786200 -0.825000 0.000000 9 2 6 A0A0A0 2 4 1.786200 -1.650000 0.000000 9 2 6 A0A0A0 3 5 2.500600 -2.062500 0.000000 9 2 6 A0A0A0 4 5 3.215100 -1.650000 0.000000 9 2 6 A0A0A0 5 5 3.215100 -0.825000 0.000000 9 2 6 A0A0A0 6 5 2.500600 -0.412500 0.000000 9 2 6 A0A0A0 7 5 1.071700 -2.062500 0.000000 9 2 6 A0A0A0 8 5 0.357200 -1.650000 0.000000 9 2 6 A0A0A0 9 5 -0.357200 -2.062500 0.000000 9 2 6 A0A0A0 10 5 -1.071700 -1.650000 0.000000 9 2 6 A0A0A0 11 5 -1.786200 -2.062500 0.000000 9 2 6 A0A0A0 12 4 -2.500600 -1.650000 0.000000 9 2 6 A0A0A0 13 4 -2.500600 -0.825000 0.000000 9 2 6 A0A0A0 14 5 -3.215100 -1.237500 0.000000 9 2 6 A0A0A0 15 5 -1.786200 -0.412500 0.000000 9 2 6 A0A0A0 16 5 -1.786200 0.412500 0.000000 9 2 6 A0A0A0 17 5 -1.071700 0.825000 0.000000 9 2 6 A0A0A0 18 5 -1.071700 1.650000 0.000000 9 2 6 A0A0A0 19 5 -0.357200 2.062500 0.000000 9 2 6 A0A0A0 20 4 0.357200 1.650000 0.000000 9 2 6 A0A0A0 21 5 1.181700 -0.302500 0.000000 9 2 6 A0A0A0 22 5 0.357200 0.825000 0.000000 9 2 6 A0A0A0 23 4 1.141900 0.570100 0.000000 9 2 6 A0A0A0 24 5 1.626800 1.237500 0.000000 9 2 6 A0A0A0 25 5 1.141900 1.904900 0.000000 9 2 6 A0A0A0 ::: } m_bond[28] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 1 21 1 4 2 3 1 5 2 7 1 6 3 4 1 7 4 5 1 8 5 6 1 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 12 14 1 16 13 14 1 17 13 15 1 18 15 16 1 19 16 17 1 20 17 18 1 21 18 19 1 22 19 20 1 23 20 22 1 24 20 25 1 25 21 23 1 26 22 23 1 27 23 24 1 28 24 25 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 50" 51 templates.51 templates templates 0 2 m_atom[20] { # 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 s_m_color_rgb ::: 1 5 -1.261200 -1.536700 0.000000 9 2 6 A0A0A0 2 5 -1.596700 -0.783000 0.000000 9 2 6 A0A0A0 3 3 -0.983600 -0.230900 0.000000 9 2 6 A0A0A0 4 26 -0.440700 -1.450400 0.000000 9 43 7 5757FF 5 4 -0.269100 -0.643400 0.000000 9 2 6 A0A0A0 6 4 0.445300 -0.230900 0.000000 9 2 6 A0A0A0 7 4 0.445300 0.594100 0.000000 9 2 6 A0A0A0 8 2 1.089000 1.110200 0.000000 9 2 6 A0A0A0 9 5 -0.424500 1.907700 0.000000 9 2 6 A0A0A0 10 26 -1.768200 0.849000 0.000000 9 43 7 5757FF 11 4 -0.983600 0.594100 0.000000 9 2 6 A0A0A0 12 5 -0.269100 1.006600 0.000000 9 2 6 A0A0A0 13 5 -2.253200 0.181600 0.000000 9 2 6 A0A0A0 14 5 -1.768200 -0.485900 0.000000 9 2 6 A0A0A0 15 7 1.893700 0.928500 0.000000 9 2 6 A0A0A0 16 5 2.253200 0.185900 0.000000 9 2 6 A0A0A0 17 16 1.896500 -0.558000 0.000000 9 70 8 FF2F2F 18 4 1.092400 -0.742700 0.000000 9 2 6 A0A0A0 19 5 0.995000 -1.561900 0.000000 9 2 6 A0A0A0 20 5 0.246000 -1.907700 0.000000 9 2 6 A0A0A0 ::: } m_bond[25] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 2 3 1 4 3 5 1 5 3 11 1 6 3 14 1 7 4 5 1 8 4 20 1 9 5 6 1 10 6 7 1 11 6 18 1 12 7 8 1 13 7 12 1 14 8 9 1 15 8 15 2 16 9 10 1 17 10 11 1 18 10 13 1 19 11 12 1 20 13 14 1 21 15 16 1 22 16 17 1 23 17 18 1 24 18 19 1 25 19 20 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 51" 52 templates.52 templates templates 0 2 m_atom[36] { # 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 s_m_color_rgb ::: 1 5 -3.341300 -1.428900 0.000000 9 2 6 A0A0A0 2 5 -2.516200 -1.428900 0.000000 9 2 6 A0A0A0 3 4 -2.103800 -0.714500 0.000000 9 2 6 A0A0A0 4 4 -2.516200 0.000000 0.000000 9 2 6 A0A0A0 5 4 -3.341300 0.000000 0.000000 9 2 6 A0A0A0 6 5 -3.753800 -0.714500 0.000000 9 2 6 A0A0A0 7 4 -2.103800 0.714500 0.000000 9 2 6 A0A0A0 8 5 -2.516200 1.428900 0.000000 9 2 6 A0A0A0 9 5 -3.341300 1.428900 0.000000 9 2 6 A0A0A0 10 5 -3.753800 0.714500 0.000000 9 2 6 A0A0A0 11 5 -1.691200 -1.428900 0.000000 9 2 6 A0A0A0 12 4 -0.866200 -1.428900 0.000000 9 2 6 A0A0A0 13 5 -1.691200 1.428900 0.000000 9 2 6 A0A0A0 14 4 -0.866200 1.428900 0.000000 9 2 6 A0A0A0 15 5 -0.453700 0.714500 0.000000 9 2 6 A0A0A0 16 5 0.371300 0.714500 0.000000 9 2 6 A0A0A0 17 5 0.783800 1.428900 0.000000 9 2 6 A0A0A0 18 4 0.371300 2.143400 0.000000 9 2 6 A0A0A0 19 5 -0.453700 2.143400 0.000000 9 2 6 A0A0A0 20 5 -0.453700 -2.143400 0.000000 9 2 6 A0A0A0 21 5 0.371300 -2.143400 0.000000 9 2 6 A0A0A0 22 4 0.783800 -1.428900 0.000000 9 2 6 A0A0A0 23 5 0.371300 -0.714500 0.000000 9 2 6 A0A0A0 24 5 -0.453700 -0.714500 0.000000 9 2 6 A0A0A0 25 5 1.691200 -1.428900 0.000000 9 2 6 A0A0A0 26 4 2.103800 -0.714500 0.000000 9 2 6 A0A0A0 27 5 2.516200 -1.428900 0.000000 9 2 6 A0A0A0 28 5 3.341300 -1.428900 0.000000 9 2 6 A0A0A0 29 5 3.753800 -0.714500 0.000000 9 2 6 A0A0A0 30 4 3.341300 0.000000 0.000000 9 2 6 A0A0A0 31 4 2.516200 0.000000 0.000000 9 2 6 A0A0A0 32 5 3.753800 0.714500 0.000000 9 2 6 A0A0A0 33 5 3.341300 1.428900 0.000000 9 2 6 A0A0A0 34 4 2.516200 1.428900 0.000000 9 2 6 A0A0A0 35 5 2.103800 0.714500 0.000000 9 2 6 A0A0A0 36 5 2.103800 2.143400 0.000000 9 2 6 A0A0A0 ::: } m_bond[42] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 1 4 3 4 1 5 3 11 1 6 4 5 1 7 4 7 1 8 5 6 1 9 5 10 1 10 7 8 1 11 7 13 1 12 8 9 1 13 9 10 1 14 11 12 1 15 12 20 1 16 12 24 1 17 13 14 1 18 14 15 1 19 14 19 1 20 15 16 1 21 16 17 1 22 17 18 1 23 18 19 1 24 18 36 1 25 20 21 1 26 21 22 1 27 22 23 1 28 22 25 1 29 23 24 1 30 25 26 1 31 26 27 1 32 26 31 1 33 27 28 1 34 28 29 1 35 29 30 1 36 30 31 1 37 30 32 1 38 31 35 1 39 32 33 1 40 33 34 1 41 34 35 1 42 34 36 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 52" 53 templates.53 templates templates 0 2 m_atom[50] { # 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 s_m_color_rgb ::: 1 7 -3.156200 1.769100 0.000000 9 2 6 A0A0A0 2 7 -2.441700 2.181600 0.000000 9 2 6 A0A0A0 3 2 -2.441700 3.006600 0.000000 9 2 6 A0A0A0 4 16 -1.727200 3.419100 0.000000 9 70 8 FF2F2F 5 7 -3.156200 3.419100 0.000000 9 2 6 A0A0A0 6 7 -3.870700 3.006600 0.000000 9 2 6 A0A0A0 7 2 -3.870700 2.181600 0.000000 9 2 6 A0A0A0 8 5 -4.585100 1.769100 0.000000 9 2 6 A0A0A0 9 5 -4.585100 0.944100 0.000000 9 2 6 A0A0A0 10 5 -3.870700 0.531600 0.000000 9 2 6 A0A0A0 11 27 -3.156200 0.944100 0.000000 9 43 7 5757FF 12 5 -2.441700 0.531600 0.000000 9 2 6 A0A0A0 13 5 -1.727200 0.944100 0.000000 9 2 6 A0A0A0 14 27 -1.012800 0.531600 0.000000 9 43 7 5757FF 15 4 -0.298300 0.944100 0.000000 9 2 6 A0A0A0 16 5 0.416200 0.531600 0.000000 9 2 6 A0A0A0 17 27 1.130600 0.944100 0.000000 9 43 7 5757FF 18 4 1.845100 0.531600 0.000000 9 2 6 A0A0A0 19 5 2.559600 0.944100 0.000000 9 2 6 A0A0A0 20 27 3.274100 0.531600 0.000000 9 43 7 5757FF 21 2 1.907300 -0.291100 0.000000 9 2 6 A0A0A0 22 7 2.650800 -0.648600 0.000000 9 2 6 A0A0A0 23 2 2.613900 -1.475500 0.000000 9 2 6 A0A0A0 24 7 1.916600 -1.916400 0.000000 9 2 6 A0A0A0 25 7 1.192900 -1.520300 0.000000 9 2 6 A0A0A0 26 7 1.188100 -0.695400 0.000000 9 2 6 A0A0A0 27 2 -0.298300 1.769100 0.000000 9 2 6 A0A0A0 28 7 0.416200 2.181600 0.000000 9 2 6 A0A0A0 29 7 -1.012800 2.181600 0.000000 9 2 6 A0A0A0 30 2 -1.012800 3.006600 0.000000 9 2 6 A0A0A0 31 7 -0.298300 3.419100 0.000000 9 2 6 A0A0A0 32 2 0.416200 3.006600 0.000000 9 2 6 A0A0A0 33 16 1.130600 3.419100 0.000000 9 70 8 FF2F2F 34 2 1.845100 3.006600 0.000000 9 2 6 A0A0A0 35 7 1.845100 2.181600 0.000000 9 2 6 A0A0A0 36 7 2.559600 1.769100 0.000000 9 2 6 A0A0A0 37 7 2.559600 3.419100 0.000000 9 2 6 A0A0A0 38 7 3.274100 3.006600 0.000000 9 2 6 A0A0A0 39 2 3.274100 2.181600 0.000000 9 2 6 A0A0A0 40 5 3.988500 1.769100 0.000000 9 2 6 A0A0A0 41 4 3.988500 0.944100 0.000000 9 2 6 A0A0A0 42 5 4.567000 0.323700 0.000000 9 2 6 A0A0A0 43 27 4.133800 -0.378400 0.000000 9 43 7 5757FF 44 5 4.447200 -1.141600 0.000000 9 2 6 A0A0A0 45 2 4.051300 -1.865400 0.000000 9 2 6 A0A0A0 46 2 3.239600 -2.013300 0.000000 9 2 6 A0A0A0 47 7 4.585100 -2.494400 0.000000 9 2 6 A0A0A0 48 7 4.307300 -3.271200 0.000000 9 2 6 A0A0A0 49 7 3.495700 -3.419100 0.000000 9 2 6 A0A0A0 50 7 2.961800 -2.790100 0.000000 9 2 6 A0A0A0 ::: } m_bond[57] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 7 1 3 2 3 1 4 3 4 1 5 3 5 2 6 4 30 1 7 5 6 1 8 6 7 2 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 15 27 1 19 16 17 1 20 17 18 1 21 18 19 1 22 18 21 1 23 19 20 1 24 20 41 1 25 21 22 2 26 21 26 1 27 22 23 1 28 23 24 2 29 23 46 1 30 24 25 1 31 25 26 2 32 27 28 2 33 27 29 1 34 28 32 1 35 29 30 2 36 30 31 1 37 31 32 2 38 32 33 1 39 33 34 1 40 34 35 2 41 34 37 1 42 35 36 1 43 36 39 2 44 37 38 2 45 38 39 1 46 39 40 1 47 40 41 1 48 41 42 1 49 42 43 1 50 43 44 1 51 44 45 1 52 45 46 2 53 45 47 1 54 46 50 1 55 47 48 2 56 48 49 1 57 49 50 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 53" 54 templates.54 templates templates 0 2 m_atom[23] { # 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 s_m_color_rgb ::: 1 4 -0.442000 -1.597300 0.000000 9 2 6 A0A0A0 2 4 0.418000 -1.600800 0.000000 9 2 6 A0A0A0 3 5 1.100100 -2.064900 0.000000 9 2 6 A0A0A0 4 5 1.752300 -1.559600 0.000000 9 2 6 A0A0A0 5 2 1.473200 -0.783200 0.000000 9 2 6 A0A0A0 6 25 0.648600 -0.808700 0.000000 9 43 7 5757FF 7 7 1.937300 -0.101100 0.000000 9 2 6 A0A0A0 8 2 1.604800 0.653900 0.000000 9 2 6 A0A0A0 9 5 2.020200 1.366700 0.000000 9 2 6 A0A0A0 10 5 1.470600 1.982000 0.000000 9 2 6 A0A0A0 11 2 0.715600 1.649500 0.000000 9 2 6 A0A0A0 12 25 0.798500 0.828700 0.000000 9 43 7 5757FF 13 7 0.002800 2.064900 0.000000 9 2 6 A0A0A0 14 2 -0.713300 1.655300 0.000000 9 2 6 A0A0A0 15 5 -1.465700 1.993900 0.000000 9 2 6 A0A0A0 16 5 -2.020200 1.383000 0.000000 9 2 6 A0A0A0 17 2 -1.610500 0.666900 0.000000 9 2 6 A0A0A0 18 25 -0.802900 0.835100 0.000000 9 43 7 5757FF 19 7 -1.949100 -0.085500 0.000000 9 2 6 A0A0A0 20 2 -1.490600 -0.771300 0.000000 9 2 6 A0A0A0 21 29 -0.666200 -0.803400 0.000000 9 43 7 5757FF 22 5 -1.775800 -1.545400 0.000000 9 2 6 A0A0A0 23 5 -1.127800 -2.055900 0.000000 9 2 6 A0A0A0 ::: } m_bond[27] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 21 1 3 1 23 1 4 2 3 1 5 2 6 1 6 3 4 1 7 4 5 1 8 5 6 2 9 5 7 1 10 7 8 2 11 8 9 1 12 8 12 1 13 9 10 1 14 10 11 1 15 11 12 2 16 11 13 1 17 13 14 2 18 14 15 1 19 14 18 1 20 15 16 1 21 16 17 1 22 17 18 2 23 17 19 1 24 19 20 2 25 20 21 1 26 20 22 1 27 22 23 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 54" 55 templates.55 templates templates 0 2 m_atom[17] { # 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 s_m_color_rgb s_m_atom_name ::: 1 2 0.018600 -1.456900 0.000000 9 2 6 A0A0A0 "" 2 7 0.095200 -0.635500 0.000000 9 2 6 A0A0A0 "" 3 7 -0.577900 -0.158400 0.000000 9 2 6 A0A0A0 "" 4 2 -1.327600 -0.502800 0.000000 9 2 6 A0A0A0 "" 5 25 -1.404200 -1.324200 0.000000 9 43 7 5757FF "N5" 6 25 -0.731100 -1.801300 0.000000 9 43 7 5757FF "N6" 7 16 -1.886800 0.103800 0.000000 9 70 8 FF2F2F "" 8 5 -1.641100 0.891400 0.000000 9 2 6 A0A0A0 "" 9 5 -0.836200 1.072300 0.000000 9 2 6 A0A0A0 "" 10 5 -0.432100 1.791600 0.000000 9 2 6 A0A0A0 "" 11 5 0.392900 1.801300 0.000000 9 2 6 A0A0A0 "" 12 27 0.813700 1.091700 0.000000 9 43 7 5757FF "" 13 5 1.622700 0.929600 0.000000 9 2 6 A0A0A0 "" 14 5 1.886800 0.148100 0.000000 9 2 6 A0A0A0 "" 15 27 1.342000 -0.471500 0.000000 9 43 7 5757FF "" 16 5 1.437800 -1.290900 0.000000 9 2 6 A0A0A0 "" 17 5 0.776100 -1.783600 0.000000 9 2 6 A0A0A0 "" ::: } m_bond[18] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 6 1 3 1 17 1 4 2 3 1 5 3 4 2 6 4 5 1 7 4 7 1 8 5 6 2 9 7 8 1 10 8 9 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 55" 56 templates.56 templates templates 0 2 m_atom[22] { # 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 s_m_color_rgb ::: 1 7 1.956700 1.600800 0.000000 9 2 6 A0A0A0 2 25 1.936000 0.667400 0.000000 9 43 7 5757FF 3 2 1.151400 0.412500 0.000000 9 2 6 A0A0A0 4 2 1.151400 -0.412500 0.000000 9 2 6 A0A0A0 5 25 2.421000 0.000000 0.000000 9 43 7 5757FF 6 7 1.936000 -0.667400 0.000000 9 2 6 A0A0A0 7 25 1.186700 2.013300 0.000000 9 43 7 5757FF 8 2 0.436900 1.650000 0.000000 9 2 6 A0A0A0 9 25 0.436900 0.825000 0.000000 9 43 7 5757FF 10 29 -0.277500 2.062500 0.000000 9 43 7 5757FF 11 2 -0.992000 1.650000 0.000000 9 2 6 A0A0A0 12 7 -0.992000 0.825000 0.000000 9 2 6 A0A0A0 13 2 -1.706500 0.412500 0.000000 9 2 6 A0A0A0 14 7 -2.421000 0.825000 0.000000 9 2 6 A0A0A0 15 7 -2.420900 1.650000 0.000000 9 2 6 A0A0A0 16 7 -1.706500 2.062500 0.000000 9 2 6 A0A0A0 17 29 -1.706500 -0.412500 0.000000 9 43 7 5757FF 18 5 -0.992000 -0.825000 0.000000 9 2 6 A0A0A0 19 5 -0.992000 -1.650000 0.000000 9 2 6 A0A0A0 20 5 -0.277500 -2.062500 0.000000 9 2 6 A0A0A0 21 5 0.436900 -1.650000 0.000000 9 2 6 A0A0A0 22 5 0.436900 -0.825000 0.000000 9 2 6 A0A0A0 ::: } m_bond[25] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 7 2 3 2 3 1 4 2 5 1 5 3 4 2 6 3 9 1 7 4 6 1 8 4 22 1 9 5 6 2 10 7 8 1 11 8 9 2 12 8 10 1 13 10 11 1 14 11 12 2 15 11 16 1 16 12 13 1 17 13 14 2 18 13 17 1 19 14 15 1 20 15 16 2 21 17 18 1 22 18 19 1 23 19 20 1 24 20 21 1 25 21 22 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 56" 57 templates.57 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb s_m_atom_name ::: 1 5 0.357200 2.062500 0.000000 9 2 6 A0A0A0 "" 2 5 1.071700 1.650000 0.000000 9 2 6 A0A0A0 "" 3 27 -0.357200 1.650000 0.000000 9 43 7 5757FF "" 4 5 -1.071700 2.062500 0.000000 9 2 6 A0A0A0 "" 5 5 -1.786200 1.650000 0.000000 9 2 6 A0A0A0 "" 6 27 -1.786200 0.825000 0.000000 9 43 7 5757FF "" 7 5 -1.071700 0.412500 0.000000 9 2 6 A0A0A0 "" 8 5 -1.071700 -0.412500 0.000000 9 2 6 A0A0A0 "" 9 5 -0.357200 -0.825000 0.000000 9 2 6 A0A0A0 "" 10 5 -0.357200 -1.650000 0.000000 9 2 6 A0A0A0 "" 11 5 0.357200 -2.062500 0.000000 9 2 6 A0A0A0 "" 12 16 1.071700 -1.650000 0.000000 9 70 8 FF2F2F "" 13 2 1.071700 -0.825000 0.000000 9 2 6 A0A0A0 "" 14 25 1.786200 -0.412500 0.000000 9 43 7 5757FF "N14" 15 25 1.786200 0.412500 0.000000 9 43 7 5757FF "N15" 16 2 1.071700 0.825000 0.000000 9 2 6 A0A0A0 "" 17 7 0.357200 -0.412500 0.000000 9 2 6 A0A0A0 "" 18 7 0.357200 0.412500 0.000000 9 2 6 A0A0A0 "" ::: } m_bond[19] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 16 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 2 15 13 17 1 16 14 15 1 17 15 16 2 18 16 18 1 19 17 18 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 57" 58 templates.58 templates templates 0 2 m_atom[17] { # 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 s_m_color_rgb ::: 1 5 1.080700 -0.866600 0.000000 9 2 6 A0A0A0 2 5 1.887700 -0.695100 0.000000 9 2 6 A0A0A0 3 5 2.142600 0.089500 0.000000 9 2 6 A0A0A0 4 4 1.590600 0.702600 0.000000 9 2 6 A0A0A0 5 5 0.932100 0.874800 0.000000 9 2 6 A0A0A0 6 16 0.426300 0.419300 0.000000 9 70 8 FF2F2F 7 4 0.783600 0.531100 0.000000 9 2 6 A0A0A0 8 5 0.116200 1.016000 0.000000 9 2 6 A0A0A0 9 3 0.528700 -0.253500 0.000000 9 2 6 A0A0A0 10 4 -0.296300 -0.253500 0.000000 9 2 6 A0A0A0 11 3 -0.551300 0.531100 0.000000 9 2 6 A0A0A0 12 5 -0.750800 -0.942100 0.000000 9 2 6 A0A0A0 13 5 -1.572500 -1.016000 0.000000 9 2 6 A0A0A0 14 4 -2.142600 -0.419700 0.000000 9 2 6 A0A0A0 15 5 -1.073600 -0.401900 0.000000 9 2 6 A0A0A0 16 5 -2.031900 0.397800 0.000000 9 2 6 A0A0A0 17 5 -1.323700 0.821000 0.000000 9 2 6 A0A0A0 ::: } m_bond[21] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 9 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 7 1 7 5 6 1 8 6 9 1 9 7 8 1 10 7 9 1 11 8 11 1 12 9 10 1 13 10 11 1 14 10 12 1 15 11 15 1 16 11 17 1 17 12 13 1 18 13 14 1 19 14 15 1 20 14 16 1 21 16 17 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 58" 59 templates.59 templates templates 0 2 m_atom[15] { # 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 s_m_color_rgb ::: 1 5 -2.063700 0.640600 0.000000 9 2 6 A0A0A0 2 5 -1.349200 1.053100 0.000000 9 2 6 A0A0A0 3 4 -2.063700 -0.184400 0.000000 9 2 6 A0A0A0 4 5 -0.830600 1.036600 0.000000 9 2 6 A0A0A0 5 4 -1.349200 -0.596900 0.000000 9 2 6 A0A0A0 6 5 -0.150000 -1.053100 0.000000 9 2 6 A0A0A0 7 4 -0.634800 -0.184400 0.000000 9 2 6 A0A0A0 8 5 0.079700 -0.596900 0.000000 9 2 6 A0A0A0 9 26 -0.634800 0.640600 0.000000 9 43 7 5757FF 10 4 0.079700 1.053100 0.000000 9 2 6 A0A0A0 11 4 0.794200 0.640600 0.000000 9 2 6 A0A0A0 12 27 1.578800 0.895500 0.000000 9 43 7 5757FF 13 5 2.063700 0.228100 0.000000 9 2 6 A0A0A0 14 5 1.578800 -0.439300 0.000000 9 2 6 A0A0A0 15 3 0.794200 -0.184400 0.000000 9 2 6 A0A0A0 ::: } m_bond[19] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 9 1 4 3 4 1 5 3 5 1 6 4 10 1 7 5 6 1 8 5 7 1 9 6 15 1 10 7 8 1 11 7 9 1 12 8 15 1 13 9 10 1 14 10 11 1 15 11 12 1 16 11 15 1 17 12 13 1 18 13 14 1 19 14 15 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 59" 60 templates.60 templates templates 0 2 m_atom[16] { # 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 s_m_color_rgb ::: 1 5 1.624500 -0.124300 0.000000 9 2 6 A0A0A0 2 5 1.624500 -0.949300 0.000000 9 2 6 A0A0A0 3 5 0.910000 -1.361800 0.000000 9 2 6 A0A0A0 4 4 0.195500 -0.949300 0.000000 9 2 6 A0A0A0 5 5 -0.394700 -1.525700 0.000000 9 2 6 A0A0A0 6 5 -1.212000 -1.413200 0.000000 9 2 6 A0A0A0 7 4 -1.624500 -0.698700 0.000000 9 2 6 A0A0A0 8 16 -0.930100 -0.961700 0.000000 9 70 8 FF2F2F 9 16 -0.222000 -0.738200 0.000000 9 70 8 FF2F2F 10 16 -1.313300 0.065300 0.000000 9 70 8 FF2F2F 11 4 -0.518900 0.288200 0.000000 9 2 6 A0A0A0 12 16 -0.518900 1.113200 0.000000 9 70 8 FF2F2F 13 5 0.195500 1.525700 0.000000 9 2 6 A0A0A0 14 5 0.910000 1.113200 0.000000 9 2 6 A0A0A0 15 4 0.910000 0.288200 0.000000 9 2 6 A0A0A0 16 3 0.195500 -0.124300 0.000000 9 2 6 A0A0A0 ::: } m_bond[19] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 15 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 16 1 7 5 6 1 8 6 7 1 9 7 8 1 10 7 10 1 11 8 9 1 12 9 16 1 13 10 11 1 14 11 12 1 15 11 16 1 16 12 13 1 17 13 14 1 18 14 15 1 19 15 16 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 60" 61 templates.61 templates templates 0 2 m_atom[11] { # 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 s_m_color_rgb ::: 1 5 -0.484900 0.540000 0.000000 9 2 6 A0A0A0 2 5 0.000000 1.207400 0.000000 9 2 6 A0A0A0 3 5 0.784600 0.952500 0.000000 9 2 6 A0A0A0 4 4 0.784600 0.127500 0.000000 9 2 6 A0A0A0 5 3 0.000000 -0.127500 0.000000 9 2 6 A0A0A0 6 7 1.269500 -0.540000 0.000000 9 2 6 A0A0A0 7 7 0.784600 -1.207400 0.000000 9 2 6 A0A0A0 8 4 0.000000 -0.952500 0.000000 9 2 6 A0A0A0 9 5 -0.784600 -1.207400 0.000000 9 2 6 A0A0A0 10 5 -1.269500 -0.540000 0.000000 9 2 6 A0A0A0 11 5 -0.784600 0.127500 0.000000 9 2 6 A0A0A0 ::: } m_bond[13] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 5 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 6 1 7 5 8 1 8 5 11 1 9 6 7 2 10 7 8 1 11 8 9 1 12 9 10 1 13 10 11 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 61" 62 templates.62 templates templates 0 2 m_atom[20] { # 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 s_m_color_rgb ::: 1 5 -2.156100 0.905700 0.000000 9 2 6 A0A0A0 2 4 -1.981300 0.099500 0.000000 9 2 6 A0A0A0 3 16 -1.241900 -0.266500 0.000000 9 70 8 FF2F2F 4 5 -1.648100 -0.632700 0.000000 9 2 6 A0A0A0 5 5 -1.634800 1.545100 0.000000 9 2 6 A0A0A0 6 5 -0.809800 1.536100 0.000000 9 2 6 A0A0A0 7 5 -0.302500 0.885600 0.000000 9 2 6 A0A0A0 8 3 -0.494800 0.083300 0.000000 9 2 6 A0A0A0 9 5 0.289400 0.262300 0.000000 9 2 6 A0A0A0 10 4 -0.843800 -0.641400 0.000000 9 2 6 A0A0A0 11 5 -0.494800 -1.366100 0.000000 9 2 6 A0A0A0 12 5 0.289400 -1.545100 0.000000 9 2 6 A0A0A0 13 4 0.918300 -1.043600 0.000000 9 2 6 A0A0A0 14 3 0.918300 -0.239200 0.000000 9 2 6 A0A0A0 15 5 1.683300 -1.292200 0.000000 9 2 6 A0A0A0 16 16 2.156100 -0.641400 0.000000 9 70 8 FF2F2F 17 4 1.683300 0.009300 0.000000 9 2 6 A0A0A0 18 5 1.801300 0.825900 0.000000 9 2 6 A0A0A0 19 5 1.041400 1.146900 0.000000 9 2 6 A0A0A0 20 16 0.538300 0.493000 0.000000 9 70 8 FF2F2F ::: } m_bond[24] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 5 1 3 2 3 1 4 2 4 1 5 3 8 1 6 4 10 1 7 5 6 1 8 6 7 1 9 7 8 1 10 8 9 1 11 8 10 1 12 9 14 1 13 10 11 1 14 11 12 1 15 12 13 1 16 13 14 1 17 13 15 1 18 14 17 1 19 14 20 1 20 15 16 1 21 16 17 1 22 17 18 1 23 18 19 1 24 19 20 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 62" 63 templates.63 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb ::: 1 5 -1.617400 -1.311100 0.000000 9 2 6 A0A0A0 2 5 -0.813100 -1.494700 0.000000 9 2 6 A0A0A0 3 4 -1.975300 -0.567800 0.000000 9 2 6 A0A0A0 4 5 -1.190300 -1.293700 0.000000 9 2 6 A0A0A0 5 5 -1.617400 0.175500 0.000000 9 2 6 A0A0A0 6 5 -0.813100 0.359100 0.000000 9 2 6 A0A0A0 7 4 -0.168100 -0.155300 0.000000 9 2 6 A0A0A0 8 3 0.546400 0.257200 0.000000 9 2 6 A0A0A0 9 5 0.888400 -0.258400 0.000000 9 2 6 A0A0A0 10 16 0.888400 -0.877200 0.000000 9 70 8 FF2F2F 11 4 1.260900 -0.155300 0.000000 9 2 6 A0A0A0 12 5 1.260900 -0.980300 0.000000 9 2 6 A0A0A0 13 4 0.546400 -1.392800 0.000000 9 2 6 A0A0A0 14 3 -0.168100 -0.980300 0.000000 9 2 6 A0A0A0 15 5 0.546400 1.082200 0.000000 9 2 6 A0A0A0 16 5 1.260900 1.494700 0.000000 9 2 6 A0A0A0 17 5 1.975300 1.082200 0.000000 9 2 6 A0A0A0 18 5 1.975300 0.257200 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 14 1 4 3 4 1 5 3 5 1 6 4 14 1 7 5 6 1 8 6 7 1 9 7 8 1 10 7 14 1 11 8 9 1 12 8 11 1 13 8 15 1 14 9 10 1 15 10 13 1 16 11 12 1 17 11 18 1 18 12 13 1 19 13 14 1 20 15 16 1 21 16 17 1 22 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 63" 64 templates.64 templates templates 0 2 m_atom[23] { # 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 s_m_color_rgb ::: 1 5 -1.071700 2.268700 0.000000 9 2 6 A0A0A0 2 7 -1.786200 1.856200 0.000000 9 2 6 A0A0A0 3 7 -1.786200 1.031200 0.000000 9 2 6 A0A0A0 4 5 -1.071700 0.618700 0.000000 9 2 6 A0A0A0 5 3 -0.357200 1.031200 0.000000 9 2 6 A0A0A0 6 3 -0.357200 1.856200 0.000000 9 2 6 A0A0A0 7 16 0.357200 1.443700 0.000000 9 70 8 FF2F2F 8 3 0.357200 0.618700 0.000000 9 2 6 A0A0A0 9 7 1.071700 1.031200 0.000000 9 2 6 A0A0A0 10 7 1.071700 1.856200 0.000000 9 2 6 A0A0A0 11 5 0.357200 2.268700 0.000000 9 2 6 A0A0A0 12 16 -0.357200 0.206300 0.000000 9 70 8 FF2F2F 13 2 -0.357200 -0.618700 0.000000 9 2 6 A0A0A0 14 2 0.357200 -1.031200 0.000000 9 2 6 A0A0A0 15 2 0.357200 -1.856200 0.000000 9 2 6 A0A0A0 16 7 -0.357200 -2.268700 0.000000 9 2 6 A0A0A0 17 7 -1.071700 -1.856200 0.000000 9 2 6 A0A0A0 18 7 -1.071700 -1.031200 0.000000 9 2 6 A0A0A0 19 7 1.071700 -2.268700 0.000000 9 2 6 A0A0A0 20 7 1.786200 -1.856200 0.000000 9 2 6 A0A0A0 21 7 1.786200 -1.031200 0.000000 9 2 6 A0A0A0 22 2 1.071700 -0.618700 0.000000 9 2 6 A0A0A0 23 16 1.071700 0.206300 0.000000 9 70 8 FF2F2F ::: } m_bond[28] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 2 3 2 4 3 4 1 5 4 5 1 6 5 6 1 7 5 7 1 8 5 8 1 9 6 7 1 10 6 11 1 11 8 9 1 12 8 12 1 13 8 23 1 14 9 10 2 15 10 11 1 16 12 13 1 17 13 14 2 18 13 18 1 19 14 15 1 20 14 22 1 21 15 16 2 22 15 19 1 23 16 17 1 24 17 18 2 25 19 20 2 26 20 21 1 27 21 22 2 28 22 23 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: 2D_paracyclophane 65 templates.65 templates templates 0 2 m_atom[16] { # 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 s_m_color_rgb s_m_atom_name ::: 1 2 -3.250200 0.093400 0.000000 9 2 6 A0A0A0 C1 2 7 -2.013100 0.807700 0.000000 9 2 6 A0A0A0 C2 3 7 -2.013100 2.236300 0.000000 9 2 6 A0A0A0 C3 4 2 -3.250200 2.950600 0.000000 9 2 6 A0A0A0 C4 5 154 -4.487400 2.236300 0.000000 9 20 8 9F5F9F 5 6 25 -4.487400 0.807700 0.000000 9 43 7 5757FF N6 7 5 -2.542900 4.180000 0.000000 9 2 6 A0A0A0 C7 8 5 -2.542900 -1.151500 0.000000 9 2 6 A0A0A0 C8 9 2 1.566300 0.093400 0.000000 9 2 6 A0A0A0 C9 10 25 2.803400 0.807700 0.000000 9 43 7 5757FF N10 11 154 2.803400 2.236300 0.000000 9 20 8 9F5F9F 11 12 2 1.566300 2.950600 0.000000 9 2 6 A0A0A0 C12 13 7 0.329100 2.236300 0.000000 9 2 6 A0A0A0 C13 14 7 0.329100 0.807700 0.000000 9 2 6 A0A0A0 C14 15 5 0.857100 4.180000 0.000000 9 2 6 A0A0A0 C15 16 5 0.857100 -1.151500 0.000000 9 2 6 A0A0A0 C16 ::: } m_bond[18] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 8 1 3 1 6 2 4 2 3 2 5 3 4 1 6 4 5 2 7 4 7 1 8 5 6 1 9 7 15 1 10 8 16 1 11 9 10 1 12 9 16 1 13 9 14 2 14 10 11 2 15 11 12 1 16 12 13 2 17 12 15 1 18 13 14 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 65" 66 templates.66 templates templates 0 2 m_atom[25] { # 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 s_m_color_rgb ::: 1 7 1.452100 1.452100 0.000000 9 2 6 A0A0A0 2 2 1.707000 0.667400 0.000000 9 2 6 A0A0A0 3 2 0.667400 1.707000 0.000000 9 2 6 A0A0A0 4 25 -0.000000 1.222100 0.000000 9 43 7 5757FF 5 2 -0.667400 1.707000 0.000000 9 2 6 A0A0A0 6 7 -0.412500 2.491600 0.000000 9 2 6 A0A0A0 7 7 0.412500 2.491600 0.000000 9 2 6 A0A0A0 8 7 -1.452100 1.452100 0.000000 9 2 6 A0A0A0 9 2 -1.707000 0.667400 0.000000 9 2 6 A0A0A0 10 25 -1.222100 0.000000 0.000000 9 43 7 5757FF 11 2 -1.707000 -0.667400 0.000000 9 2 6 A0A0A0 12 7 -2.491600 -0.412500 0.000000 9 2 6 A0A0A0 13 7 -2.491600 0.412500 0.000000 9 2 6 A0A0A0 14 7 -1.452100 -1.452100 0.000000 9 2 6 A0A0A0 15 2 -0.667400 -1.707000 0.000000 9 2 6 A0A0A0 16 25 -0.000000 -1.222100 0.000000 9 43 7 5757FF 17 161 -0.006300 0.020800 0.000000 9 4 28 1E1EE1 18 2 0.667400 -1.707000 0.000000 9 2 6 A0A0A0 19 7 0.412500 -2.491600 0.000000 9 2 6 A0A0A0 20 7 -0.412500 -2.491600 0.000000 9 2 6 A0A0A0 21 7 1.452100 -1.452100 0.000000 9 2 6 A0A0A0 22 2 1.707000 -0.667400 0.000000 9 2 6 A0A0A0 23 25 1.222100 0.000000 0.000000 9 43 7 5757FF 24 7 2.491600 -0.412500 0.000000 9 2 6 A0A0A0 25 7 2.491600 0.412500 0.000000 9 2 6 A0A0A0 ::: } m_bond[32] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 3 1 3 2 23 1 4 2 25 1 5 3 4 1 6 3 7 2 7 4 5 1 8 4 17 1 9 5 6 2 10 5 8 1 11 6 7 1 12 8 9 2 13 9 10 1 14 9 13 1 15 10 11 1 16 10 17 1 17 11 12 1 18 11 14 2 19 12 13 2 20 14 15 1 21 15 16 1 22 15 20 2 23 16 17 1 24 16 18 1 25 17 23 1 26 18 19 2 27 18 21 1 28 19 20 1 29 21 22 2 30 22 23 1 31 22 24 1 32 24 25 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 66" 67 templates.67 templates templates 0 2 m_atom[25] { # 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 s_m_color_rgb ::: 1 7 1.452100 1.452100 0.000000 9 2 6 A0A0A0 2 2 1.707000 0.667400 0.000000 9 2 6 A0A0A0 3 2 0.667400 1.707000 0.000000 9 2 6 A0A0A0 4 25 -0.000000 1.222100 0.000000 9 43 7 5757FF 5 2 -0.667400 1.707000 0.000000 9 2 6 A0A0A0 6 7 -0.412500 2.491600 0.000000 9 2 6 A0A0A0 7 5 0.412500 2.491600 0.000000 9 2 6 A0A0A0 8 7 -1.452100 1.452100 0.000000 9 2 6 A0A0A0 9 2 -1.707000 0.667400 0.000000 9 2 6 A0A0A0 10 25 -1.222100 0.000000 0.000000 9 43 7 5757FF 11 2 -1.707000 -0.667400 0.000000 9 2 6 A0A0A0 12 7 -2.491600 -0.412500 0.000000 9 2 6 A0A0A0 13 7 -2.491600 0.412500 0.000000 9 2 6 A0A0A0 14 7 -1.452100 -1.452100 0.000000 9 2 6 A0A0A0 15 2 -0.667400 -1.707000 0.000000 9 2 6 A0A0A0 16 25 -0.000000 -1.222100 0.000000 9 43 7 5757FF 17 153 -0.006300 0.020800 0.000000 9 4 28 1E1EE1 18 2 0.667400 -1.707000 0.000000 9 2 6 A0A0A0 19 7 0.412500 -2.491600 0.000000 9 2 6 A0A0A0 20 5 -0.412500 -2.491600 0.000000 9 2 6 A0A0A0 21 7 1.452100 -1.452100 0.000000 9 2 6 A0A0A0 22 2 1.707000 -0.667400 0.000000 9 2 6 A0A0A0 23 25 1.222100 0.000000 0.000000 9 43 7 5757FF 24 7 2.491600 -0.412500 0.000000 9 2 6 A0A0A0 25 7 2.491600 0.412500 0.000000 9 2 6 A0A0A0 ::: } m_bond[30] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 3 1 3 2 23 1 4 2 25 1 5 3 4 2 6 3 7 1 7 4 5 1 8 5 6 2 9 5 8 1 10 6 7 1 11 8 9 2 12 9 10 1 13 9 13 1 14 10 11 1 15 10 17 1 16 11 12 1 17 11 14 2 18 12 13 2 19 14 15 1 20 15 16 2 21 15 20 1 22 16 18 1 23 17 23 1 24 18 19 2 25 18 21 1 26 19 20 1 27 21 22 2 28 22 23 1 29 22 24 1 30 24 25 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 67" 68 templates.68 templates templates 0 2 m_atom[24] { # 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 s_m_color_rgb ::: 1 7 1.452100 1.452100 0.000000 9 2 6 A0A0A0 2 2 1.707000 0.667400 0.000000 9 2 6 A0A0A0 3 2 0.667400 1.707000 0.000000 9 2 6 A0A0A0 4 25 -0.000000 1.222100 0.000000 9 43 7 5757FF 5 2 -0.667400 1.707000 0.000000 9 2 6 A0A0A0 6 7 -0.412500 2.491600 0.000000 9 2 6 A0A0A0 7 5 0.412500 2.491600 0.000000 9 2 6 A0A0A0 8 7 -1.452100 1.452100 0.000000 9 2 6 A0A0A0 9 2 -1.707000 0.667400 0.000000 9 2 6 A0A0A0 10 29 -1.222100 0.000000 0.000000 9 43 7 5757FF 11 2 -1.707000 -0.667400 0.000000 9 2 6 A0A0A0 12 7 -2.491600 -0.412500 0.000000 9 2 6 A0A0A0 13 7 -2.491600 0.412500 0.000000 9 2 6 A0A0A0 14 7 -1.452100 -1.452100 0.000000 9 2 6 A0A0A0 15 2 -0.667400 -1.707000 0.000000 9 2 6 A0A0A0 16 25 -0.000000 -1.222100 0.000000 9 43 7 5757FF 17 2 0.667400 -1.707000 0.000000 9 2 6 A0A0A0 18 7 0.412500 -2.491600 0.000000 9 2 6 A0A0A0 19 5 -0.412500 -2.491600 0.000000 9 2 6 A0A0A0 20 7 1.452100 -1.452100 0.000000 9 2 6 A0A0A0 21 2 1.707000 -0.667400 0.000000 9 2 6 A0A0A0 22 29 1.222100 0.000000 0.000000 9 43 7 5757FF 23 7 2.491600 -0.412500 0.000000 9 2 6 A0A0A0 24 7 2.491600 0.412500 0.000000 9 2 6 A0A0A0 ::: } m_bond[28] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 2 2 1 3 1 3 2 22 1 4 2 24 1 5 3 4 2 6 3 7 1 7 4 5 1 8 5 6 2 9 5 8 1 10 6 7 1 11 8 9 2 12 9 10 1 13 9 13 1 14 10 11 1 15 11 12 1 16 11 14 2 17 12 13 2 18 14 15 1 19 15 16 2 20 15 19 1 21 16 17 1 22 17 18 2 23 17 20 1 24 18 19 1 25 20 21 2 26 21 22 1 27 21 23 1 28 23 24 2 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 68" 69 templates.69 templates templates 0 2 m_atom[19] { # 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 s_m_color_rgb ::: 1 27 0.919100 1.443800 0.000000 9 43 7 5757FF 2 27 0.204600 1.031200 0.000000 9 43 7 5757FF 3 27 1.633600 1.031200 0.000000 9 43 7 5757FF 4 4 1.633600 0.206200 0.000000 9 2 6 A0A0A0 5 5 1.938800 -0.442800 0.000000 9 2 6 A0A0A0 6 5 1.388800 -0.965300 0.000000 9 2 6 A0A0A0 7 5 0.481300 -0.552800 0.000000 9 2 6 A0A0A0 8 4 0.919100 -0.206200 0.000000 9 2 6 A0A0A0 9 3 0.204600 0.206200 0.000000 9 2 6 A0A0A0 10 5 0.919100 -1.031200 0.000000 9 2 6 A0A0A0 11 5 0.204600 -1.443800 0.000000 9 2 6 A0A0A0 12 3 -0.509800 -1.031200 0.000000 9 2 6 A0A0A0 13 4 -0.509800 -0.206200 0.000000 9 2 6 A0A0A0 14 5 -1.224300 0.206200 0.000000 9 2 6 A0A0A0 15 4 -1.938800 -0.206200 0.000000 9 2 6 A0A0A0 16 5 -1.663200 -0.760300 0.000000 9 2 6 A0A0A0 17 5 -1.127400 -1.069600 0.000000 9 2 6 A0A0A0 18 27 -1.938800 -1.031200 0.000000 9 43 7 5757FF 19 27 -1.224300 -1.443800 0.000000 9 43 7 5757FF ::: } m_bond[23] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 3 1 3 2 9 1 4 3 4 1 5 4 5 1 6 4 8 1 7 5 6 1 8 6 7 1 9 7 9 1 10 8 9 1 11 8 10 1 12 9 13 1 13 10 11 1 14 11 12 1 15 12 13 1 16 12 17 1 17 12 19 1 18 13 14 1 19 14 15 1 20 15 16 1 21 15 18 1 22 16 17 1 23 18 19 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 69" 70 templates.70 templates templates 0 2 m_atom[20] { # 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 s_m_color_rgb ::: 1 5 0.577300 0.918600 0.000000 9 2 6 A0A0A0 2 16 0.135700 0.221700 0.000000 9 70 8 FF2F2F 3 5 -0.674300 0.378200 0.000000 9 2 6 A0A0A0 4 5 -1.301600 -0.157600 0.000000 9 2 6 A0A0A0 5 5 -2.029600 0.230700 0.000000 9 2 6 A0A0A0 6 5 -2.729800 -0.205600 0.000000 9 2 6 A0A0A0 7 16 -2.702000 -1.030200 0.000000 9 70 8 FF2F2F 8 5 -1.974100 -1.418400 0.000000 9 2 6 A0A0A0 9 5 -1.273900 -0.982100 0.000000 9 2 6 A0A0A0 10 5 -0.612000 -1.474500 0.000000 9 2 6 A0A0A0 11 5 0.185700 -1.264000 0.000000 9 2 6 A0A0A0 12 16 0.518500 -0.509100 0.000000 9 70 8 FF2F2F 13 4 1.342800 -0.543100 0.000000 9 2 6 A0A0A0 14 5 2.042900 -0.979400 0.000000 9 2 6 A0A0A0 15 5 2.729800 -0.522400 0.000000 9 2 6 A0A0A0 16 4 2.597700 0.292000 0.000000 9 2 6 A0A0A0 17 27 2.717600 1.108200 0.000000 9 43 7 5757FF 18 27 1.978400 1.474500 0.000000 9 43 7 5757FF 19 4 1.401600 0.884700 0.000000 9 2 6 A0A0A0 20 4 1.784300 0.153800 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 19 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 8 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 20 1 16 14 15 1 17 15 16 1 18 16 17 1 19 16 20 1 20 17 18 1 21 18 19 1 22 19 20 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 70" 71 templates.71 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb ::: 1 5 0.401100 1.082200 0.000000 9 2 6 A0A0A0 2 5 1.115600 1.494700 0.000000 9 2 6 A0A0A0 3 5 1.830100 1.082200 0.000000 9 2 6 A0A0A0 4 4 1.830100 0.257200 0.000000 9 2 6 A0A0A0 5 5 2.120600 -0.393500 0.000000 9 2 6 A0A0A0 6 16 0.855600 -0.476000 0.000000 9 70 8 FF2F2F 7 4 1.115600 -0.155300 0.000000 9 2 6 A0A0A0 8 5 1.115600 -0.980300 0.000000 9 2 6 A0A0A0 9 5 0.401100 -1.392800 0.000000 9 2 6 A0A0A0 10 3 0.401100 0.257200 0.000000 9 2 6 A0A0A0 11 4 -0.313300 -0.155300 0.000000 9 2 6 A0A0A0 12 3 -0.313300 -0.980300 0.000000 9 2 6 A0A0A0 13 5 -0.958300 0.359100 0.000000 9 2 6 A0A0A0 14 5 -1.762600 0.175500 0.000000 9 2 6 A0A0A0 15 4 -2.120600 -0.567800 0.000000 9 2 6 A0A0A0 16 5 -1.098400 -0.254400 0.000000 9 2 6 A0A0A0 17 5 -1.762600 -1.311100 0.000000 9 2 6 A0A0A0 18 5 -0.958300 -1.494700 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 10 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 7 1 7 5 6 1 8 6 10 1 9 7 8 1 10 7 10 1 11 8 9 1 12 9 12 1 13 10 11 1 14 11 12 1 15 11 13 1 16 12 16 1 17 12 18 1 18 13 14 1 19 14 15 1 20 15 16 1 21 15 17 1 22 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 71" 72 templates.72 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb ::: 1 5 0.538200 0.703300 0.000000 9 2 6 A0A0A0 2 5 1.143200 1.363300 0.000000 9 2 6 A0A0A0 3 5 1.720700 1.060800 0.000000 9 2 6 A0A0A0 4 4 1.590600 0.355300 0.000000 9 2 6 A0A0A0 5 5 2.142600 -0.257800 0.000000 9 2 6 A0A0A0 6 16 1.887700 -1.042400 0.000000 9 70 8 FF2F2F 7 5 1.080700 -1.214000 0.000000 9 2 6 A0A0A0 8 4 0.783600 0.183700 0.000000 9 2 6 A0A0A0 9 5 0.116200 0.668700 0.000000 9 2 6 A0A0A0 10 3 0.528700 -0.600900 0.000000 9 2 6 A0A0A0 11 4 -0.296300 -0.600900 0.000000 9 2 6 A0A0A0 12 3 -0.551300 0.183700 0.000000 9 2 6 A0A0A0 13 5 -0.750800 -1.289400 0.000000 9 2 6 A0A0A0 14 5 -1.572500 -1.363300 0.000000 9 2 6 A0A0A0 15 4 -2.142600 -0.767000 0.000000 9 2 6 A0A0A0 16 5 -1.073600 -0.749200 0.000000 9 2 6 A0A0A0 17 5 -2.031900 0.050500 0.000000 9 2 6 A0A0A0 18 5 -1.323700 0.473600 0.000000 9 2 6 A0A0A0 ::: } m_bond[22] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 10 1 3 2 3 1 4 3 4 1 5 4 5 1 6 4 8 1 7 5 6 1 8 6 7 1 9 7 10 1 10 8 9 1 11 8 10 1 12 9 12 1 13 10 11 1 14 11 12 1 15 11 13 1 16 12 16 1 17 12 18 1 18 13 14 1 19 14 15 1 20 15 16 1 21 15 17 1 22 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 72" 73 templates.73 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb ::: 1 5 -0.825000 2.042600 0.000000 9 2 6 A0A0A0 2 27 -0.412500 1.328100 0.000000 9 43 7 5757FF 3 5 0.412500 1.328100 0.000000 9 2 6 A0A0A0 4 2 0.825000 0.613700 0.000000 9 2 6 A0A0A0 5 7 0.412500 -0.100800 0.000000 9 2 6 A0A0A0 6 2 0.825000 -0.815300 0.000000 9 2 6 A0A0A0 7 7 1.650000 0.613700 0.000000 9 2 6 A0A0A0 8 7 2.062500 -0.100800 0.000000 9 2 6 A0A0A0 9 7 1.650000 -0.815300 0.000000 9 2 6 A0A0A0 10 5 -1.650000 2.042600 0.000000 9 2 6 A0A0A0 11 16 -2.062500 1.328100 0.000000 9 70 8 FF2F2F 12 5 -1.650000 0.613700 0.000000 9 2 6 A0A0A0 13 7 -2.062500 -0.100800 0.000000 9 2 6 A0A0A0 14 7 -1.650000 -0.815300 0.000000 9 2 6 A0A0A0 15 5 -1.779100 -1.630100 0.000000 9 2 6 A0A0A0 16 5 -1.064600 -2.042600 0.000000 9 2 6 A0A0A0 17 27 -0.412500 -1.529700 0.000000 9 43 7 5757FF 18 5 0.412500 -1.529700 0.000000 9 2 6 A0A0A0 ::: } m_bond[19] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 10 1 3 2 3 1 4 3 4 1 5 4 5 2 6 4 7 1 7 5 6 1 8 6 9 2 9 6 18 1 10 7 8 2 11 8 9 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 2 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 73" 74 templates.74 templates templates 0 2 m_atom[18] { # 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 s_m_color_rgb ::: 1 5 -1.171300 1.547400 0.000000 9 2 6 A0A0A0 2 27 -0.758800 2.261800 0.000000 9 43 7 5757FF 3 5 0.066200 2.261800 0.000000 9 2 6 A0A0A0 4 2 0.478700 1.547400 0.000000 9 2 6 A0A0A0 5 7 0.066200 0.832900 0.000000 9 2 6 A0A0A0 6 2 0.580600 0.187900 0.000000 9 2 6 A0A0A0 7 7 1.298800 1.637000 0.000000 9 2 6 A0A0A0 8 7 1.771300 0.960700 0.000000 9 2 6 A0A0A0 9 7 1.404900 0.221500 0.000000 9 2 6 A0A0A0 10 5 -0.758800 0.832900 0.000000 9 2 6 A0A0A0 11 16 -1.273200 0.187900 0.000000 9 70 8 FF2F2F 12 5 -1.089600 -0.616400 0.000000 9 2 6 A0A0A0 13 7 -1.771300 -1.081200 0.000000 9 2 6 A0A0A0 14 7 -1.709600 -1.903900 0.000000 9 2 6 A0A0A0 15 5 -0.966300 -2.261800 0.000000 9 2 6 A0A0A0 16 5 -0.284700 -1.797100 0.000000 9 2 6 A0A0A0 17 27 -0.346300 -0.974400 0.000000 9 43 7 5757FF 18 5 0.397000 -0.616400 0.000000 9 2 6 A0A0A0 ::: } m_bond[19] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 10 1 3 2 3 1 4 3 4 1 5 4 5 2 6 4 7 1 7 5 6 1 8 6 9 2 9 6 18 1 10 7 8 2 11 8 9 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 2 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 74" 75 templates.75 templates templates 0 2 m_atom[23] { # 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 s_m_color_rgb ::: 1 5 -0.357200 -0.825000 0.000000 9 2 6 A0A0A0 2 5 -0.357200 -1.650000 0.000000 9 2 6 A0A0A0 3 5 0.357200 -2.062500 0.000000 9 2 6 A0A0A0 4 5 1.071700 -1.650000 0.000000 9 2 6 A0A0A0 5 4 1.071700 -0.825000 0.000000 9 2 6 A0A0A0 6 5 0.357200 -0.412500 0.000000 9 2 6 A0A0A0 7 5 0.357200 0.412500 0.000000 9 2 6 A0A0A0 8 5 1.071700 0.825000 0.000000 9 2 6 A0A0A0 9 5 1.786200 -0.412500 0.000000 9 2 6 A0A0A0 10 4 1.786200 0.412500 0.000000 9 2 6 A0A0A0 11 5 2.500600 0.825000 0.000000 9 2 6 A0A0A0 12 5 2.500600 1.650000 0.000000 9 2 6 A0A0A0 13 5 1.786200 2.062500 0.000000 9 2 6 A0A0A0 14 5 1.071700 1.650000 0.000000 9 2 6 A0A0A0 15 5 0.357200 2.062500 0.000000 9 2 6 A0A0A0 16 5 -0.357200 1.650000 0.000000 9 2 6 A0A0A0 17 5 -0.357200 0.825000 0.000000 9 2 6 A0A0A0 18 4 -1.071700 0.412500 0.000000 9 2 6 A0A0A0 19 4 -1.071700 -0.412500 0.000000 9 2 6 A0A0A0 20 5 -1.786200 0.825000 0.000000 9 2 6 A0A0A0 21 5 -2.500600 0.412500 0.000000 9 2 6 A0A0A0 22 5 -2.500600 -0.412500 0.000000 9 2 6 A0A0A0 23 5 -1.786200 -0.825000 0.000000 9 2 6 A0A0A0 ::: } m_bond[25] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 19 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 18 20 1 22 19 23 1 23 20 21 1 24 21 22 1 25 22 23 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 75" 76 templates.76 templates templates 0 2 m_atom[25] { # 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 s_m_color_rgb ::: 1 5 -0.825000 -0.276700 0.000000 9 2 6 A0A0A0 2 5 -0.825000 -1.101700 0.000000 9 2 6 A0A0A0 3 5 -0.000000 -1.101700 0.000000 9 2 6 A0A0A0 4 5 0.412500 -1.816100 0.000000 9 2 6 A0A0A0 5 4 1.237500 -1.816100 0.000000 9 2 6 A0A0A0 6 5 1.607800 -2.553300 0.000000 9 2 6 A0A0A0 7 5 2.430800 -2.610800 0.000000 9 2 6 A0A0A0 8 5 2.900100 -1.932300 0.000000 9 2 6 A0A0A0 9 5 1.650000 -1.101700 0.000000 9 2 6 A0A0A0 10 4 2.555900 -1.182600 0.000000 9 2 6 A0A0A0 11 5 2.968400 -0.468100 0.000000 9 2 6 A0A0A0 12 5 2.555900 0.246400 0.000000 9 2 6 A0A0A0 13 5 1.730900 0.246400 0.000000 9 2 6 A0A0A0 14 5 1.318400 0.960800 0.000000 9 2 6 A0A0A0 15 5 0.603900 1.373300 0.000000 9 2 6 A0A0A0 16 5 0.603900 2.198300 0.000000 9 2 6 A0A0A0 17 5 -0.110500 2.610800 0.000000 9 2 6 A0A0A0 18 5 -0.825000 2.198300 0.000000 9 2 6 A0A0A0 19 5 -0.825000 1.373300 0.000000 9 2 6 A0A0A0 20 4 -1.539500 0.960800 0.000000 9 2 6 A0A0A0 21 4 -1.539500 0.135800 0.000000 9 2 6 A0A0A0 22 5 -2.253900 1.373300 0.000000 9 2 6 A0A0A0 23 5 -2.968400 0.960800 0.000000 9 2 6 A0A0A0 24 5 -2.968400 0.135800 0.000000 9 2 6 A0A0A0 25 5 -2.253900 -0.276700 0.000000 9 2 6 A0A0A0 ::: } m_bond[27] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 21 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 20 21 1 23 20 22 1 24 21 25 1 25 22 23 1 26 23 24 1 27 24 25 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 76" 77 templates.77 templates templates 0 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 s_m_color_rgb ::: 1 5 -1.071700 -0.206300 0.000000 9 2 6 A0A0A0 2 5 -1.071700 -1.031300 0.000000 9 2 6 A0A0A0 3 5 -0.357200 -1.443800 0.000000 9 2 6 A0A0A0 4 5 0.357200 -1.031300 0.000000 9 2 6 A0A0A0 5 4 1.071700 -1.443800 0.000000 9 2 6 A0A0A0 6 5 1.071700 -2.268800 0.000000 9 2 6 A0A0A0 7 5 1.786200 -2.681200 0.000000 9 2 6 A0A0A0 8 5 2.500600 -2.268800 0.000000 9 2 6 A0A0A0 9 5 1.786200 -1.031300 0.000000 9 2 6 A0A0A0 10 4 2.500600 -1.443800 0.000000 9 2 6 A0A0A0 11 5 3.215100 -1.031300 0.000000 9 2 6 A0A0A0 12 5 3.215100 -0.206300 0.000000 9 2 6 A0A0A0 13 5 2.500600 0.206200 0.000000 9 2 6 A0A0A0 14 5 2.500600 1.031200 0.000000 9 2 6 A0A0A0 15 5 1.786200 1.443700 0.000000 9 2 6 A0A0A0 16 5 1.786200 2.268700 0.000000 9 2 6 A0A0A0 17 5 1.071700 2.681200 0.000000 9 2 6 A0A0A0 18 7 0.357200 2.268700 0.000000 9 2 6 A0A0A0 19 7 0.357200 1.443700 0.000000 9 2 6 A0A0A0 20 5 -0.357200 1.031200 0.000000 9 2 6 A0A0A0 21 5 -1.071700 1.443700 0.000000 9 2 6 A0A0A0 22 4 -1.786200 1.031200 0.000000 9 2 6 A0A0A0 23 4 -1.786200 0.206200 0.000000 9 2 6 A0A0A0 24 5 -2.500600 1.443700 0.000000 9 2 6 A0A0A0 25 5 -3.215100 1.031200 0.000000 9 2 6 A0A0A0 26 5 -3.215100 0.206200 0.000000 9 2 6 A0A0A0 27 5 -2.500600 -0.206300 0.000000 9 2 6 A0A0A0 ::: } m_bond[29] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 23 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 2 21 19 20 1 22 20 21 1 23 21 22 1 24 22 23 1 25 22 24 1 26 23 27 1 27 24 25 1 28 25 26 1 29 26 27 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 77" 78 templates.78 templates templates 0 2 m_atom[24] { # 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 s_m_color_rgb ::: 1 5 -0.962900 0.006300 0.000000 9 2 6 A0A0A0 2 5 -0.550400 -0.708200 0.000000 9 2 6 A0A0A0 3 5 0.274600 -0.708200 0.000000 9 2 6 A0A0A0 4 5 0.687100 -1.422600 0.000000 9 2 6 A0A0A0 5 4 1.512100 -1.422600 0.000000 9 2 6 A0A0A0 6 5 1.924600 -2.137100 0.000000 9 2 6 A0A0A0 7 5 2.749600 -2.137100 0.000000 9 2 6 A0A0A0 8 5 3.162100 -1.422600 0.000000 9 2 6 A0A0A0 9 5 1.924600 -0.708200 0.000000 9 2 6 A0A0A0 10 4 2.749600 -0.708200 0.000000 9 2 6 A0A0A0 11 5 3.162100 0.006300 0.000000 9 2 6 A0A0A0 12 5 2.749600 0.708200 0.000000 9 2 6 A0A0A0 13 5 1.924600 0.708200 0.000000 9 2 6 A0A0A0 14 5 1.512100 1.422600 0.000000 9 2 6 A0A0A0 15 5 0.687100 1.422600 0.000000 9 2 6 A0A0A0 16 5 0.274600 2.137100 0.000000 9 2 6 A0A0A0 17 5 -0.550400 2.137100 0.000000 9 2 6 A0A0A0 18 5 -0.962900 1.422600 0.000000 9 2 6 A0A0A0 19 4 -1.733100 1.127000 0.000000 9 2 6 A0A0A0 20 4 -1.733100 0.302000 0.000000 9 2 6 A0A0A0 21 5 -2.447600 1.539500 0.000000 9 2 6 A0A0A0 22 5 -3.162100 1.127000 0.000000 9 2 6 A0A0A0 23 5 -3.162100 0.302000 0.000000 9 2 6 A0A0A0 24 5 -2.447600 -0.110500 0.000000 9 2 6 A0A0A0 ::: } m_bond[26] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 20 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 9 1 8 6 7 1 9 7 8 1 10 8 10 1 11 9 10 1 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 16 17 1 19 17 18 1 20 18 19 1 21 19 20 1 22 19 21 1 23 20 24 1 24 21 22 1 25 22 23 1 26 23 24 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: cubane 79 templates.79 templates templates 0 2 m_atom[8] { # 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 s_m_color_rgb ::: 1 4 -1.763400 2.723200 0.000000 9 2 6 A0A0A0 2 4 -1.763400 1.898200 0.000000 9 2 6 A0A0A0 3 4 -0.938400 1.898200 0.000000 9 2 6 A0A0A0 4 4 -0.938400 2.723200 0.000000 9 2 6 A0A0A0 5 4 -2.114500 1.508300 0.000000 9 2 6 A0A0A0 6 4 -1.289500 1.508300 0.000000 9 2 6 A0A0A0 7 4 -2.114500 2.333300 0.000000 9 2 6 A0A0A0 8 4 -1.289500 2.333300 0.000000 9 2 6 A0A0A0 ::: } m_bond[12] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 1 7 1 4 2 3 1 5 2 5 1 6 3 4 1 7 3 6 1 8 4 8 1 9 5 6 1 10 5 7 1 11 6 8 1 12 7 8 1 ::: } } f_m_ct { s_m_title s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: "template 79" 80 templates.80 templates templates 0 2 m_atom[8] { # 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 s_m_color_rgb s_m_atom_name ::: 1 4 -1.808000 0.490200 0.000000 9 2 6 A0A0A0 "" 2 27 -2.522500 0.077700 0.000000 9 43 7 5757FF "N2" 3 5 -2.522500 -0.747400 0.000000 9 2 6 A0A0A0 "" 4 4 -1.808000 -1.159800 0.000000 9 2 6 A0A0A0 "" 5 5 -1.093500 -0.747400 0.000000 9 2 6 A0A0A0 "" 6 27 -1.093500 0.077700 0.000000 9 43 7 5757FF "N6" 7 5 -1.507100 -0.112700 0.000000 9 2 6 A0A0A0 "" 8 5 -2.042000 -0.579300 0.000000 9 2 6 A0A0A0 "" ::: } m_bond[9] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 6 1 3 1 7 1 4 2 3 1 5 3 4 1 6 4 5 1 7 4 8 1 8 5 6 1 9 7 8 1 ::: } } f_m_ct { s_m_title i_m_ct_enhanced_stereo_status s_m_entry_id s_m_entry_name s_m_subgroup_title s_m_subgroupid b_m_subgroup_collapsed i_m_ct_format ::: biciclo(1,1,1)pentane 0 81 templates.81 templates templates 0 2 m_atom[5] { # 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 s_m_color_rgb ::: 1 5 -0.583300 -0.000000 0.000000 900 2 6 A0A0A0 2 4 0.000000 0.583300 0.000000 900 2 6 A0A0A0 3 5 0.583300 -0.000000 0.000000 900 2 6 A0A0A0 4 4 0.000000 -0.583300 0.000000 900 2 6 A0A0A0 5 5 0.145800 -0.000000 0.000000 900 2 6 A0A0A0 ::: } m_bond[6] { # First column is bond index # i_m_from i_m_to i_m_order ::: 1 1 2 1 2 1 4 1 3 2 3 1 4 2 5 1 5 3 4 1 6 4 5 1 ::: } }