V1T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N05 | sing | 1.47Å | 1.46Å | |
| N05 | C06 | sing | 1.39Å | 1.39Å | |
| N05 | C20 | sing | 1.35Å | 1.38Å | |
| C06 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C07 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C22 | sing | 1.48Å | 1.51Å | |
| C12 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.39Å | 1.40Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| N15 | C20 | sing | 1.35Å | 1.38Å | |
| C20 | O21 | doub | 1.22Å | 1.22Å | |
| C22 | N23 | sing | 1.35Å | 1.33Å | |
| C22 | O26 | doub | 1.22Å | 1.24Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N23 | H232 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N05 | C06 | 126.1° | 125.7° |
| C01 | N05 | C20 | 124.3° | 125.7° |
| N05 | C01 | H011 | 109.5° | 109.4° |
| N05 | C01 | H012 | 109.4° | 109.5° |
| N05 | C01 | H013 | 109.5° | 109.5° |
| C06 | N05 | C20 | 109.6° | 108.5° |
| N05 | C06 | C07 | 131.6° | 133.2° |
| N05 | C06 | C14 | 107.7° | 106.8° |
| N05 | C20 | N15 | 106.5° | 109.7° |
| N05 | C20 | O21 | 126.6° | 125.1° |
| C07 | C06 | C14 | 120.7° | 120.1° |
| C06 | C07 | C09 | 118.5° | 120.1° |
| C06 | C07 | H07 | 120.7° | 120.0° |
| C06 | C14 | C12 | 121.2° | 120.0° |
| C06 | C14 | N15 | 106.6° | 106.7° |
| C07 | C09 | C11 | 121.4° | 120.1° |
| C09 | C07 | H07 | 120.8° | 120.0° |
| C07 | C09 | H09 | 119.3° | 119.9° |
| C09 | C11 | C12 | 119.9° | 120.0° |
| C09 | C11 | C22 | 120.6° | 120.0° |
| C11 | C09 | H09 | 119.3° | 120.0° |
| C12 | C11 | C22 | 119.6° | 120.0° |
| C11 | C12 | C14 | 118.3° | 119.8° |
| C11 | C12 | H12 | 120.8° | 120.1° |
| C11 | C22 | N23 | 118.3° | 120.0° |
| C11 | C22 | O26 | 119.6° | 120.0° |
| C12 | C14 | N15 | 132.2° | 133.3° |
| C14 | C12 | H12 | 120.8° | 120.2° |
| C14 | N15 | C16 | 126.1° | 125.9° |
| C14 | N15 | C20 | 109.7° | 108.3° |
| C16 | N15 | C20 | 124.2° | 125.8° |
| N15 | C16 | H161 | 109.5° | 109.5° |
| N15 | C16 | H162 | 109.5° | 109.5° |
| N15 | C16 | H163 | 109.5° | 109.5° |
| N15 | C20 | O21 | 126.8° | 125.2° |
| N23 | C22 | O26 | 122.1° | 120.0° |
| C22 | N23 | H231 | 120.0° | 120.0° |
| C22 | N23 | H232 | 120.0° | 120.0° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H231 | N23 | H232 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N05 | C06 | C20 | 178.9° | 179.7° |
| C01 | N05 | C06 | C07 | 0.4° | 0.0° |
| C01 | N05 | C06 | C14 | 179.6° | 179.9° |
| C01 | N05 | C20 | N15 | 179.8° | 179.9° |
| C01 | N05 | C20 | O21 | 1.6° | 0.1° |
| N05 | C01 | H011 | H012 | 120.0° | 120.0° |
| N05 | C01 | H011 | H013 | 120.0° | 120.0° |
| N05 | C01 | H012 | H013 | 120.0° | 120.0° |
| N05 | C06 | C07 | C14 | 180.0° | 179.9° |
| N05 | C06 | C07 | C09 | 179.6° | 180.0° |
| N05 | C06 | C14 | C12 | 179.5° | 180.0° |
| N05 | C06 | C14 | N15 | 0.1° | 0.0° |
| C06 | N05 | C20 | N15 | 0.9° | 0.4° |
| C06 | N05 | C20 | O21 | 179.4° | 179.7° |
| C06 | N05 | C01 | H011 | 180.0° | 90.0° |
| C06 | N05 | C01 | H012 | 60.0° | 150.0° |
| C06 | N05 | C01 | H013 | 60.0° | 29.9° |
| N05 | C06 | C07 | H07 | 0.4° | 0.1° |
| C20 | N05 | C06 | C07 | 179.4° | 179.7° |
| C20 | N05 | C06 | C14 | 0.6° | 0.3° |
| N05 | C20 | N15 | C14 | 0.8° | 0.4° |
| N05 | C20 | N15 | C16 | 179.8° | 179.9° |
| N05 | C20 | N15 | O21 | 178.6° | 179.8° |
| C20 | N05 | C01 | H011 | 1.2° | 90.4° |
| C20 | N05 | C01 | H012 | 121.2° | 29.6° |
| C20 | N05 | C01 | H013 | 118.8° | 149.7° |
| C06 | C07 | C09 | H07 | 180.0° | 180.0° |
| C06 | C07 | C09 | C11 | 0.6° | 0.0° |
| C07 | C06 | C14 | C12 | 0.5° | 0.0° |
| C07 | C06 | C14 | N15 | 179.9° | 179.9° |
| C06 | C07 | C09 | H09 | 179.4° | 180.0° |
| C14 | C06 | C07 | C09 | 0.4° | 0.0° |
| C06 | C14 | C12 | C11 | 0.9° | 0.0° |
| C06 | C14 | C12 | N15 | 179.5° | 180.0° |
| C06 | C14 | N15 | C16 | 179.8° | 180.0° |
| C06 | C14 | N15 | C20 | 0.4° | 0.3° |
| C14 | C06 | C07 | H07 | 179.6° | 180.0° |
| C06 | C14 | C12 | H12 | 179.1° | 180.0° |
| C07 | C09 | C11 | H09 | 180.0° | 180.0° |
| C07 | C09 | C11 | C12 | 1.0° | 0.0° |
| C07 | C09 | C11 | C22 | 179.4° | 180.0° |
| C09 | C11 | C12 | C22 | 178.5° | 179.9° |
| C09 | C11 | C12 | C14 | 1.1° | 0.0° |
| C09 | C11 | C22 | N23 | 10.8° | 0.0° |
| C09 | C11 | C22 | O26 | 167.5° | 179.9° |
| C11 | C09 | C07 | H07 | 179.4° | 180.0° |
| C09 | C11 | C12 | H12 | 178.9° | 180.0° |
| C11 | C12 | C14 | H12 | 180.0° | 180.0° |
| C11 | C12 | C14 | N15 | 179.6° | 179.9° |
| C12 | C11 | C22 | N23 | 170.8° | 180.0° |
| C12 | C11 | C22 | O26 | 11.0° | 0.0° |
| C12 | C11 | C09 | H09 | 179.0° | 180.0° |
| C22 | C11 | C12 | C14 | 179.6° | 180.0° |
| C11 | C22 | N23 | O26 | 178.2° | 180.0° |
| C22 | C11 | C09 | H09 | 0.6° | 0.1° |
| C22 | C11 | C12 | H12 | 0.4° | 0.1° |
| C11 | C22 | N23 | H231 | 178.2° | 0.0° |
| C11 | C22 | N23 | H232 | 1.8° | 180.0° |
| C12 | C14 | N15 | C16 | 0.7° | 0.0° |
| C12 | C14 | N15 | C20 | 179.9° | 179.7° |
| C14 | N15 | C16 | C20 | 179.3° | 179.7° |
| C14 | N15 | C20 | O21 | 179.3° | 179.7° |
| N15 | C14 | C12 | H12 | 0.4° | 0.0° |
| C14 | N15 | C16 | H161 | 180.0° | 90.0° |
| C14 | N15 | C16 | H162 | 60.0° | 150.0° |
| C14 | N15 | C16 | H163 | 60.0° | 30.0° |
| C16 | N15 | C20 | O21 | 1.3° | 0.0° |
| N15 | C16 | H161 | H162 | 120.0° | 120.0° |
| N15 | C16 | H161 | H163 | 120.0° | 120.0° |
| N15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C20 | N15 | C16 | H161 | 0.7° | 89.7° |
| C20 | N15 | C16 | H162 | 119.3° | 30.3° |
| C20 | N15 | C16 | H163 | 120.7° | 150.3° |
| C22 | N23 | H231 | H232 | 180.0° | 180.0° |
| O26 | C22 | N23 | H231 | 0.0° | 179.9° |
| O26 | C22 | N23 | H232 | 180.0° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H07 | C07 | C09 | H09 | 0.6° | 0.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
