9VD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CDF | ODK | doub | 1.21Å | 1.23Å | |
| CDF | CDE | sing | 1.51Å | 1.54Å | |
| CDE | CDR | sing | 1.53Å | 1.54Å | |
| CDE | NDD | sing | 1.47Å | 1.48Å | |
| CDR | ODT | sing | 1.43Å | 1.44Å | |
| CDR | CDS | sing | 1.53Å | 1.54Å | |
| CDF | H1 | sing | 1.08Å | 1.08Å | |
| CDE | H2 | sing | 1.09Å | 1.10Å | |
| CDR | H3 | sing | 1.09Å | 1.10Å | |
| CDS | H4 | sing | 1.09Å | 1.10Å | |
| CDS | H5 | sing | 1.09Å | 1.10Å | |
| CDS | H6 | sing | 1.09Å | 1.10Å | |
| ODT | H7 | sing | 0.97Å | 0.95Å | |
| NDD | H8 | sing | 1.01Å | 1.00Å | |
| NDD | H9 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| ODK | CDF | CDE | 121.6° | 120.0° |
| ODK | CDF | H1 | 119.2° | 120.0° |
| CDF | CDE | CDR | 109.5° | 109.5° |
| CDF | CDE | NDD | 110.8° | 109.5° |
| CDE | CDF | H1 | 119.2° | 120.0° |
| CDF | CDE | H2 | 108.7° | 109.4° |
| CDR | CDE | NDD | 109.6° | 109.5° |
| CDE | CDR | ODT | 110.4° | 109.5° |
| CDE | CDR | CDS | 110.2° | 109.5° |
| CDR | CDE | H2 | 108.7° | 109.5° |
| CDE | CDR | H3 | 108.2° | 109.5° |
| NDD | CDE | H2 | 109.5° | 109.5° |
| CDE | NDD | H8 | 109.5° | 111.0° |
| CDE | NDD | H9 | 109.4° | 111.0° |
| ODT | CDR | CDS | 110.2° | 109.4° |
| ODT | CDR | H3 | 109.5° | 109.4° |
| CDR | ODT | H7 | 109.5° | 114.0° |
| CDS | CDR | H3 | 108.2° | 109.5° |
| CDR | CDS | H4 | 109.5° | 109.5° |
| CDR | CDS | H5 | 109.5° | 109.5° |
| CDR | CDS | H6 | 109.5° | 109.5° |
| H4 | CDS | H5 | 109.5° | 109.5° |
| H4 | CDS | H6 | 109.4° | 109.4° |
| H5 | CDS | H6 | 109.5° | 109.4° |
| H8 | NDD | H9 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| ODK | CDF | CDE | H1 | 180.0° | 179.7° |
| ODK | CDF | CDE | CDR | 95.6° | 120.0° |
| ODK | CDF | CDE | NDD | 143.4° | 0.0° |
| ODK | CDF | CDE | H2 | 23.0° | 120.0° |
| CDF | CDE | CDR | NDD | 121.8° | 120.0° |
| CDF | CDE | CDR | H2 | 118.6° | 120.0° |
| CDF | CDE | NDD | H2 | 119.9° | 119.9° |
| CDF | CDE | CDR | ODT | 136.9° | 60.0° |
| CDF | CDE | CDR | CDS | 101.1° | 180.0° |
| CDF | CDE | CDR | H3 | 17.0° | 60.0° |
| CDF | CDE | NDD | H8 | 180.0° | 63.9° |
| CDF | CDE | NDD | H9 | 60.0° | 60.0° |
| CDR | CDE | NDD | H2 | 119.1° | 120.1° |
| CDE | CDR | ODT | CDS | 122.0° | 120.0° |
| CDE | CDR | ODT | H3 | 119.0° | 120.0° |
| CDE | CDR | CDS | H3 | 118.1° | 120.0° |
| CDR | CDE | CDF | H1 | 84.4° | 59.7° |
| CDE | CDR | CDS | H4 | 180.0° | 60.0° |
| CDE | CDR | CDS | H5 | 60.0° | 180.0° |
| CDE | CDR | CDS | H6 | 60.0° | 60.0° |
| CDE | CDR | ODT | H7 | 180.0° | 60.0° |
| CDR | CDE | NDD | H8 | 59.0° | 176.0° |
| CDR | CDE | NDD | H9 | 179.0° | 60.0° |
| NDD | CDE | CDR | ODT | 101.4° | 180.0° |
| NDD | CDE | CDR | CDS | 20.7° | 60.0° |
| NDD | CDE | CDF | H1 | 36.6° | 179.7° |
| NDD | CDE | CDR | H3 | 138.8° | 60.0° |
| CDE | NDD | H8 | H9 | 120.0° | 124.0° |
| ODT | CDR | CDS | H3 | 119.7° | 120.0° |
| ODT | CDR | CDE | H2 | 18.3° | 60.0° |
| ODT | CDR | CDS | H4 | 57.9° | 180.0° |
| ODT | CDR | CDS | H5 | 62.2° | 60.0° |
| ODT | CDR | CDS | H6 | 177.8° | 60.0° |
| CDS | CDR | CDE | H2 | 140.3° | 60.0° |
| CDR | CDS | H4 | H5 | 120.0° | 120.1° |
| CDR | CDS | H4 | H6 | 120.0° | 120.0° |
| CDR | CDS | H5 | H6 | 120.0° | 120.0° |
| CDS | CDR | ODT | H7 | 58.0° | 60.1° |
| H1 | CDF | CDE | H2 | 157.0° | 60.3° |
| H2 | CDE | CDR | H3 | 101.6° | 179.9° |
| H2 | CDE | NDD | H8 | 60.1° | 56.0° |
| H2 | CDE | NDD | H9 | 59.9° | 180.0° |
| H3 | CDR | CDS | H4 | 61.9° | 60.1° |
| H3 | CDR | CDS | H5 | 178.1° | 60.0° |
| H3 | CDR | CDS | H6 | 58.1° | 180.0° |
| H3 | CDR | ODT | H7 | 61.0° | 180.0° |
| H4 | CDS | H5 | H6 | 120.0° | 119.9° |
