{
s_m_m2io_version
:::
2.0.0
}
f_m_ct {
s_m_title
s_m_entry_id
s_m_entry_name
i_m_ct_format
:::
Structure1
1
entry
2
m_atom[9] {
# First column is atom index #
i_m_mmod_type
r_m_x_coord
r_m_y_coord
r_m_z_coord
i_m_color
i_m_atomic_number
s_m_color_rgb
i_rdk_index
:::
1 3 0.000000 0.000000 0.000000 2 6 A0A0A0 0
2 26 1.460000 0.000000 0.000000 43 7 5757FF 1
3 56 -0.430248 -0.615488 1.100130 8 9 00FF7F 2
4 16 -0.474027 -0.678116 -1.104471 70 8 FF2F2F 3
5 49 -0.611428 1.671693 0.000000 13 16 E1E11E 4
6 43 1.797145 0.476034 0.824515 21 1 FFFFFF <>
7 43 1.797145 -0.952068 -0.001171 21 1 FFFFFF <>
8 42 -0.173846 -1.629206 -1.177409 21 1 FFFFFF <>
9 41 -0.015792 1.940932 -1.165171 21 1 FFFFFF <>
:::
}
m_bond[8] {
# 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 1 5 1
5 2 6 1
6 2 7 1
7 4 8 1
8 5 9 1
:::
}
}