GVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.48Å | 1.52Å | |
| C2 | C3 | sing | 1.52Å | 1.52Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | |
| C5 | C6 | sing | 1.39Å | 1.38Å | |
| C6 | C7 | doub | 1.40Å | 1.38Å | |
| C3 | C8 | doub | 1.38Å | 1.39Å | |
| C7 | C8 | sing | 1.39Å | 1.38Å | |
| C2 | C9 | sing | 1.49Å | 1.52Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | |
| C10 | C11 | doub | 1.40Å | 1.38Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | |
| C12 | C13 | doub | 1.40Å | 1.39Å | |
| C9 | C14 | doub | 1.39Å | 1.39Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | |
| C12 | C15 | sing | 1.43Å | 1.49Å | |
| C15 | N16 | sing | 1.35Å | 1.35Å | |
| N16 | C17 | doub | 1.36Å | 1.34Å | |
| C17 | N18 | sing | 1.35Å | 1.33Å | |
| N18 | C19 | doub | 1.34Å | 1.34Å | |
| C19 | N20 | sing | 1.37Å | 1.36Å | |
| N20 | C21 | sing | 1.37Å | 1.36Å | |
| C21 | N22 | doub | 1.32Å | 1.33Å | |
| C15 | C23 | doub | 1.39Å | 1.39Å | |
| C19 | C23 | sing | 1.39Å | 1.39Å | |
| N22 | C23 | sing | 1.37Å | 1.40Å | |
| N1 | H1N1 | sing | 0.99Å | 1.00Å | |
| N1 | H1N2 | sing | 0.99Å | 1.00Å | |
| C2 | H2 | sing | 1.11Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N20 | H20 | sing | 1.01Å | 1.00Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C3 | 112.2° | 109.5° |
| N1 | C2 | C9 | 109.3° | 111.0° |
| C2 | N1 | H1N1 | 109.5° | 117.4° |
| C2 | N1 | H1N2 | 109.5° | 117.3° |
| N1 | C2 | H2 | 108.7° | 103.7° |
| C2 | C3 | C4 | 120.2° | 118.8° |
| C2 | C3 | C8 | 120.9° | 118.9° |
| C3 | C2 | C9 | 112.2° | 114.5° |
| C3 | C2 | H2 | 105.7° | 108.2° |
| C3 | C4 | C5 | 120.4° | 118.8° |
| C4 | C3 | C8 | 118.9° | 122.3° |
| C3 | C4 | H4 | 119.8° | 121.7° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C5 | C4 | H4 | 119.8° | 119.5° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | C7 | 120.1° | 119.9° |
| C6 | C5 | H5 | 120.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C6 | C7 | C8 | 120.0° | 120.0° |
| C7 | C6 | H6 | 119.9° | 120.0° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C3 | C8 | C7 | 120.5° | 118.9° |
| C3 | C8 | H8 | 119.8° | 121.6° |
| C7 | C8 | H8 | 119.7° | 119.5° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C2 | C9 | C10 | 120.5° | 120.0° |
| C2 | C9 | C14 | 120.5° | 120.0° |
| C9 | C2 | H2 | 108.7° | 109.3° |
| C9 | C10 | C11 | 120.5° | 120.0° |
| C10 | C9 | C14 | 119.0° | 120.0° |
| C9 | C10 | H10 | 119.7° | 120.5° |
| C10 | C11 | C12 | 120.6° | 120.4° |
| C11 | C10 | H10 | 119.7° | 119.5° |
| C10 | C11 | H11 | 119.7° | 119.1° |
| C11 | C12 | C13 | 118.8° | 119.1° |
| C11 | C12 | C15 | 120.5° | 120.4° |
| C12 | C11 | H11 | 119.7° | 120.5° |
| C12 | C13 | C14 | 120.6° | 120.4° |
| C13 | C12 | C15 | 120.5° | 120.5° |
| C12 | C13 | H13 | 119.7° | 120.4° |
| C9 | C14 | C13 | 120.5° | 120.0° |
| C9 | C14 | H14 | 119.8° | 120.5° |
| C13 | C14 | H14 | 119.7° | 119.5° |
| C14 | C13 | H13 | 119.7° | 119.1° |
| C12 | C15 | N16 | 116.5° | 118.8° |
| C12 | C15 | C23 | 124.2° | 122.2° |
| C15 | N16 | C17 | 117.8° | 117.5° |
| N16 | C15 | C23 | 119.0° | 119.1° |
| N16 | C17 | N18 | 128.7° | 128.8° |
| N16 | C17 | H17 | 115.7° | 115.6° |
| C17 | N18 | C19 | 111.7° | 110.5° |
| N18 | C17 | H17 | 115.7° | 115.7° |
| N18 | C19 | N20 | 128.5° | 127.6° |
| N18 | C19 | C23 | 125.8° | 127.3° |
| C19 | N20 | C21 | 107.9° | 107.1° |
| N20 | C19 | C23 | 105.7° | 105.2° |
| C19 | N20 | H20 | 126.1° | 126.6° |
| N20 | C21 | N22 | 112.2° | 112.2° |
| C21 | N20 | H20 | 126.0° | 126.4° |
| N20 | C21 | H21 | 123.9° | 121.9° |
| C21 | N22 | C23 | 104.2° | 104.8° |
| N22 | C21 | H21 | 123.9° | 125.9° |
| C15 | C23 | C19 | 116.9° | 116.9° |
| C15 | C23 | N22 | 133.1° | 132.4° |
| C19 | C23 | N22 | 110.0° | 110.8° |
| H1N1 | N1 | H1N2 | 109.5° | 123.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | C9 | 123.5° | 125.4° |
| N1 | C2 | C3 | H2 | 118.2° | 112.4° |
| N1 | C2 | C3 | C4 | 101.7° | 90.0° |
| N1 | C2 | C3 | C8 | 78.1° | 90.0° |
| N1 | C2 | C9 | H2 | 118.5° | 113.8° |
| N1 | C2 | C9 | C10 | 38.2° | 143.8° |
| N1 | C2 | C9 | C14 | 141.5° | 36.2° |
| C2 | N1 | H1N1 | H1N2 | 120.0° | 165.6° |
| C2 | C3 | C4 | C8 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 179.8° | 180.0° |
| C2 | C3 | C8 | C7 | 179.7° | 180.0° |
| C3 | C2 | C9 | H2 | 116.4° | 121.6° |
| C3 | C2 | C9 | C10 | 86.8° | 91.5° |
| C3 | C2 | C9 | C14 | 93.4° | 88.5° |
| C3 | C2 | N1 | H1N1 | 39.6° | 148.2° |
| C3 | C2 | N1 | H1N2 | 80.4° | 18.4° |
| C2 | C3 | C4 | H4 | 0.3° | 0.1° |
| C2 | C3 | C8 | H8 | 0.3° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C4 | C3 | C8 | C7 | 0.5° | 0.0° |
| C4 | C3 | C2 | C9 | 134.8° | 144.6° |
| C4 | C3 | C2 | H2 | 16.5° | 22.4° |
| C4 | C3 | C8 | H8 | 179.5° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | C3 | C8 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | C7 | C8 | C3 | 0.1° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | H8 | 179.9° | 180.0° |
| C7 | C6 | C5 | H5 | 179.7° | 180.0° |
| C3 | C8 | C7 | H8 | 180.0° | 179.9° |
| C8 | C3 | C2 | C9 | 45.4° | 35.4° |
| C8 | C3 | C2 | H2 | 163.7° | 157.6° |
| C8 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C8 | C7 | H7 | 179.9° | 180.0° |
| C8 | C7 | C6 | H6 | 179.8° | 180.0° |
| C2 | C9 | C10 | C14 | 179.8° | 180.0° |
| C2 | C9 | C10 | C11 | 179.6° | 180.0° |
| C2 | C9 | C14 | C13 | 180.0° | 180.0° |
| C9 | C2 | N1 | H1N1 | 85.5° | 84.3° |
| C9 | C2 | N1 | H1N2 | 154.5° | 109.1° |
| C2 | C9 | C10 | H10 | 0.4° | 0.1° |
| C2 | C9 | C14 | H14 | 0.0° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.3° | 0.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.0° |
| C10 | C9 | C2 | H2 | 156.7° | 30.0° |
| C10 | C9 | C14 | H14 | 179.7° | 179.9° |
| C9 | C10 | C11 | H11 | 178.7° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 2.0° | 0.0° |
| C11 | C10 | C9 | C14 | 0.2° | 0.0° |
| C10 | C11 | C12 | C15 | 177.2° | 180.0° |
| C11 | C12 | C13 | C15 | 175.3° | 180.0° |
| C11 | C12 | C13 | C14 | 1.6° | 0.0° |
| C11 | C12 | C15 | N16 | 156.4° | 89.9° |
| C11 | C12 | C15 | C23 | 17.2° | 90.0° |
| C12 | C11 | C10 | H10 | 178.7° | 179.9° |
| C11 | C12 | C13 | H13 | 178.4° | 179.9° |
| C12 | C13 | C14 | C9 | 0.5° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C13 | C12 | C15 | N16 | 18.7° | 90.1° |
| C13 | C12 | C15 | C23 | 167.6° | 90.0° |
| C12 | C13 | C14 | H14 | 179.5° | 179.9° |
| C13 | C12 | C11 | H11 | 178.0° | 179.9° |
| C9 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C9 | C2 | H2 | 23.1° | 150.0° |
| C14 | C9 | C10 | H10 | 179.9° | 179.9° |
| C9 | C14 | C13 | H13 | 179.5° | 179.9° |
| C14 | C13 | C12 | C15 | 176.8° | 180.0° |
| C12 | C15 | N16 | C23 | 174.0° | 179.9° |
| C12 | C15 | N16 | C17 | 177.5° | 179.9° |
| C12 | C15 | C23 | C19 | 176.9° | 179.9° |
| C12 | C15 | C23 | N22 | 5.8° | 0.1° |
| C15 | C12 | C11 | H11 | 2.8° | 0.1° |
| C15 | C12 | C13 | H13 | 3.2° | 0.1° |
| C15 | N16 | C17 | N18 | 2.0° | 0.0° |
| N16 | C15 | C23 | C19 | 3.4° | 0.0° |
| N16 | C15 | C23 | N22 | 179.2° | 180.0° |
| C15 | N16 | C17 | H17 | 178.0° | 179.9° |
| N16 | C17 | N18 | H17 | 180.0° | 179.8° |
| N16 | C17 | N18 | C19 | 0.3° | 0.0° |
| C17 | N16 | C15 | C23 | 3.5° | 0.0° |
| C17 | N18 | C19 | N20 | 180.0° | 180.0° |
| C17 | N18 | C19 | C23 | 0.2° | 0.0° |
| N18 | C19 | N20 | C23 | 179.8° | 180.0° |
| N18 | C19 | N20 | C21 | 180.0° | 180.0° |
| N18 | C19 | C23 | C15 | 1.8° | 0.0° |
| N18 | C19 | C23 | N22 | 179.8° | 180.0° |
| C19 | N18 | C17 | H17 | 179.7° | 179.8° |
| N18 | C19 | N20 | H20 | 0.0° | 0.0° |
| C19 | N20 | C21 | H20 | 180.0° | 180.0° |
| C19 | N20 | C21 | N22 | 0.1° | 0.0° |
| N20 | C19 | C23 | C15 | 178.4° | 180.0° |
| N20 | C19 | C23 | N22 | 0.4° | 0.0° |
| C19 | N20 | C21 | H21 | 179.9° | 180.0° |
| N20 | C21 | N22 | H21 | 180.0° | 180.0° |
| C21 | N20 | C19 | C23 | 0.2° | 0.0° |
| N20 | C21 | N22 | C23 | 0.3° | 0.0° |
| C21 | N22 | C23 | C15 | 177.9° | 180.0° |
| C21 | N22 | C23 | C19 | 0.5° | 0.0° |
| N22 | C21 | N20 | H20 | 179.9° | 180.0° |
| C15 | C23 | C19 | N22 | 177.9° | 180.0° |
| C23 | C19 | N20 | H20 | 179.8° | 180.0° |
| C23 | N22 | C21 | H21 | 179.7° | 179.9° |
| H1N1 | N1 | C2 | H2 | 156.0° | 33.0° |
| H1N2 | N1 | C2 | H2 | 36.0° | 133.6° |
| H4 | C4 | C5 | H5 | 0.0° | 0.1° |
| H8 | C8 | C7 | H7 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.3° | 0.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H10 | C10 | C11 | H11 | 1.3° | 0.2° |
| H14 | C14 | C13 | H13 | 0.5° | 0.2° |
| H20 | N20 | C21 | H21 | 0.1° | 0.0° |
