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