YVW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C2 | C | sing | 1.50Å | 1.53Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C | N2 | sing | 1.34Å | 1.40Å | |
| N2 | C4 | sing | 1.46Å | 1.48Å | |
| N | C3 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C5 | sing | 1.51Å | 1.53Å | |
| C6 | C5 | doub | 1.34Å | 1.33Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.33Å | Aromatic |
| C5 | N3 | sing | 1.37Å | 1.33Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.41Å | 1.39Å | Aromatic |
| N3 | C12 | sing | 1.38Å | 1.33Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H77 | sing | 0.97Å | 1.00Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| N | H33 | sing | 1.01Å | 1.00Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C2 | 119.6° | 118.7° |
| O | C | N2 | 119.2° | 118.6° |
| C | C2 | N | 110.8° | 110.0° |
| C2 | C | N2 | 121.2° | 122.8° |
| C | C2 | H9 | 109.1° | 109.4° |
| C | C2 | H10 | 109.2° | 109.4° |
| C2 | N | C3 | 108.7° | 110.2° |
| N | C2 | H9 | 109.1° | 109.4° |
| N | C2 | H10 | 109.1° | 109.4° |
| C2 | N | H33 | 109.7° | 111.0° |
| C | N2 | C4 | 120.8° | 122.9° |
| C | N2 | H77 | 119.6° | 118.6° |
| N2 | C4 | C3 | 111.2° | 110.0° |
| N2 | C4 | H7 | 109.0° | 109.3° |
| N2 | C4 | H8 | 109.0° | 109.4° |
| C4 | N2 | H77 | 119.6° | 118.6° |
| N | C3 | C4 | 109.3° | 108.7° |
| N | C3 | C5 | 109.9° | 109.6° |
| C3 | N | H33 | 109.7° | 111.0° |
| N | C3 | H6 | 110.0° | 109.6° |
| C4 | C3 | C5 | 109.3° | 109.6° |
| C3 | C4 | H7 | 109.0° | 109.4° |
| C3 | C4 | H8 | 109.1° | 109.4° |
| C4 | C3 | H6 | 109.2° | 109.6° |
| C3 | C5 | C6 | 124.5° | 125.1° |
| C3 | C5 | N3 | 124.6° | 125.0° |
| C5 | C3 | H6 | 109.1° | 109.7° |
| C5 | C6 | C7 | 107.0° | 107.0° |
| C6 | C5 | N3 | 111.0° | 109.9° |
| C5 | C6 | H5 | 126.5° | 126.5° |
| C6 | C7 | C8 | 132.4° | 134.0° |
| C6 | C7 | C12 | 107.5° | 106.0° |
| C7 | C6 | H5 | 126.5° | 126.5° |
| C5 | N3 | C12 | 107.0° | 109.9° |
| C5 | N3 | H13 | 126.5° | 125.0° |
| C8 | C7 | C12 | 120.1° | 120.0° |
| C7 | C8 | C9 | 120.0° | 119.7° |
| C7 | C8 | H4 | 120.0° | 120.1° |
| C7 | C12 | N3 | 107.6° | 107.2° |
| C7 | C12 | C11 | 120.1° | 119.3° |
| N3 | C12 | C11 | 132.3° | 133.5° |
| C12 | N3 | H13 | 126.5° | 125.1° |
| C8 | C9 | C10 | 119.9° | 120.5° |
| C9 | C8 | H4 | 120.0° | 120.2° |
| C8 | C9 | H3 | 120.0° | 119.7° |
| C12 | C11 | C10 | 119.8° | 119.8° |
| C12 | C11 | H1 | 120.1° | 120.1° |
| C9 | C10 | C11 | 120.0° | 120.7° |
| C9 | C10 | H2 | 120.0° | 119.7° |
| C10 | C9 | H3 | 120.0° | 119.8° |
| C11 | C10 | H2 | 120.0° | 119.7° |
| C10 | C11 | H1 | 120.1° | 120.1° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H9 | C2 | H10 | 109.5° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C2 | N2 | 179.8° | 180.0° |
| O | C | C2 | N | 160.9° | 162.8° |
| O | C | N2 | C4 | 179.1° | 178.3° |
| O | C | N2 | H77 | 0.9° | 1.6° |
| O | C | C2 | H9 | 40.7° | 42.7° |
| O | C | C2 | H10 | 78.9° | 77.0° |
| C | C2 | N | H9 | 120.2° | 120.1° |
| C | C2 | N | H10 | 120.2° | 120.2° |
| C2 | C | N2 | C4 | 0.7° | 1.7° |
| C | C2 | N | C3 | 53.2° | 50.3° |
| C2 | C | N2 | H77 | 179.3° | 178.4° |
| C | C2 | H9 | H10 | 119.4° | 119.7° |
| C | C2 | N | H33 | 66.7° | 73.0° |
| N | C2 | C | N2 | 18.8° | 17.2° |
| C2 | N | C3 | H33 | 119.9° | 123.4° |
| C2 | N | C3 | C4 | 71.5° | 69.1° |
| C2 | N | C3 | C5 | 168.6° | 171.1° |
| N | C2 | H9 | H10 | 119.4° | 119.8° |
| C2 | N | C3 | H6 | 48.4° | 50.6° |
| C | N2 | C4 | H77 | 180.0° | 179.9° |
| C | N2 | C4 | C3 | 16.4° | 18.3° |
| C | N2 | C4 | H7 | 136.7° | 138.4° |
| C | N2 | C4 | H8 | 103.8° | 101.9° |
| N2 | C | C2 | H9 | 139.0° | 137.4° |
| N2 | C | C2 | H10 | 101.4° | 102.9° |
| N2 | C4 | C3 | N | 51.0° | 50.4° |
| N2 | C4 | C3 | H7 | 120.2° | 120.1° |
| N2 | C4 | C3 | H8 | 120.2° | 120.1° |
| N2 | C4 | C3 | C5 | 171.3° | 170.1° |
| N2 | C4 | H7 | H8 | 119.2° | 119.7° |
| N2 | C4 | C3 | H6 | 69.3° | 69.4° |
| N | C3 | C4 | C5 | 120.3° | 119.7° |
| N | C3 | C4 | H6 | 120.4° | 119.8° |
| N | C3 | C5 | H6 | 120.7° | 120.4° |
| N | C3 | C5 | C6 | 124.5° | 35.0° |
| N | C3 | C5 | N3 | 55.1° | 145.0° |
| N | C3 | C4 | H7 | 171.3° | 170.5° |
| N | C3 | C4 | H8 | 69.2° | 69.7° |
| C3 | N | C2 | H9 | 173.4° | 170.5° |
| C3 | N | C2 | H10 | 67.0° | 69.8° |
| C4 | C3 | C5 | H6 | 119.4° | 120.4° |
| C4 | C3 | C5 | C6 | 115.6° | 84.2° |
| C4 | C3 | C5 | N3 | 64.9° | 95.8° |
| C3 | C4 | H7 | H8 | 119.2° | 119.8° |
| C3 | C4 | N2 | H77 | 163.6° | 161.8° |
| C4 | C3 | N | H33 | 48.3° | 54.2° |
| C3 | C5 | C6 | N3 | 179.6° | 180.0° |
| C3 | C5 | C6 | C7 | 179.5° | 180.0° |
| C3 | C5 | N3 | C12 | 179.7° | 180.0° |
| C3 | C5 | N3 | H13 | 0.3° | 0.3° |
| C5 | C3 | C4 | H7 | 68.4° | 69.8° |
| C5 | C3 | C4 | H8 | 51.1° | 50.0° |
| C3 | C5 | C6 | H5 | 0.5° | 0.0° |
| C5 | C3 | N | H33 | 71.6° | 65.5° |
| C5 | C6 | C7 | H5 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 180.0° | 179.9° |
| C5 | C6 | C7 | C12 | 0.3° | 0.0° |
| C6 | C5 | N3 | C12 | 0.0° | 0.0° |
| C6 | C5 | N3 | H13 | 179.9° | 179.8° |
| C6 | C5 | C3 | H6 | 3.8° | 155.4° |
| C7 | C6 | C5 | N3 | 0.1° | 0.0° |
| C6 | C7 | C8 | C12 | 179.7° | 179.9° |
| C6 | C7 | C12 | N3 | 0.3° | 0.0° |
| C6 | C7 | C8 | C9 | 179.8° | 180.0° |
| C6 | C7 | C12 | C11 | 179.7° | 179.8° |
| C6 | C7 | C8 | H4 | 0.2° | 0.1° |
| C5 | N3 | C12 | C7 | 0.2° | 0.0° |
| C5 | N3 | C12 | H13 | 180.0° | 179.8° |
| C5 | N3 | C12 | C11 | 179.5° | 179.8° |
| N3 | C5 | C6 | H5 | 179.9° | 180.0° |
| N3 | C5 | C3 | H6 | 175.7° | 24.6° |
| C8 | C7 | C12 | N3 | 180.0° | 179.9° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C8 | C7 | C12 | C11 | 0.5° | 0.3° |
| C7 | C8 | C9 | C10 | 0.4° | 0.1° |
| C8 | C7 | C6 | H5 | 0.1° | 0.0° |
| C7 | C8 | C9 | H3 | 179.6° | 180.0° |
| C7 | C12 | N3 | C11 | 179.3° | 179.8° |
| C12 | C7 | C8 | C9 | 0.6° | 0.1° |
| C7 | C12 | C11 | C10 | 0.3° | 0.5° |
| C7 | C12 | N3 | H13 | 179.8° | 179.8° |
| C12 | C7 | C6 | H5 | 179.7° | 180.0° |
| C12 | C7 | C8 | H4 | 179.4° | 180.0° |
| C7 | C12 | C11 | H1 | 179.7° | 179.8° |
| N3 | C12 | C11 | C10 | 179.6° | 179.8° |
| N3 | C12 | C11 | H1 | 0.4° | 0.1° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.2° | 0.4° |
| C8 | C9 | C10 | H2 | 179.8° | 179.9° |
| C12 | C11 | C10 | C9 | 0.2° | 0.5° |
| C12 | C11 | C10 | H1 | 180.0° | 179.7° |
| C11 | C12 | N3 | H13 | 0.4° | 0.0° |
| C12 | C11 | C10 | H2 | 179.8° | 179.8° |
| C9 | C10 | C11 | H2 | 180.0° | 179.7° |
| C10 | C9 | C8 | H4 | 179.6° | 179.9° |
| C9 | C10 | C11 | H1 | 179.8° | 179.7° |
| C11 | C10 | C9 | H3 | 179.8° | 179.7° |
| H7 | C4 | N2 | H77 | 43.3° | 41.7° |
| H7 | C4 | C3 | H6 | 50.9° | 50.7° |
| H8 | C4 | N2 | H77 | 76.2° | 78.0° |
| H8 | C4 | C3 | H6 | 170.4° | 170.5° |
| H4 | C8 | C9 | H3 | 0.4° | 0.0° |
| H2 | C10 | C9 | H3 | 0.2° | 0.0° |
| H2 | C10 | C11 | H1 | 0.1° | 0.0° |
| H9 | C2 | N | H33 | 53.5° | 47.1° |
| H10 | C2 | N | H33 | 173.1° | 166.8° |
| H33 | N | C3 | H6 | 168.3° | 174.0° |
