0NV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N14 | C15 | sing | 1.37Å | 1.38Å | Aromatic |
| N14 | C13 | sing | 1.37Å | 1.35Å | Aromatic |
| N12 | C13 | doub | 1.33Å | 1.36Å | Aromatic |
| N12 | C11 | sing | 1.31Å | 1.33Å | Aromatic |
| C15 | C16 | doub | 1.34Å | 1.35Å | Aromatic |
| C13 | C17 | sing | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.46Å | 1.47Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C18 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C18 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| N9 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.39Å | Aromatic |
| N7 | C6 | sing | 1.47Å | 1.46Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | N3 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | N3 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| N3 | C19 | sing | 1.47Å | 1.47Å | |
| C22 | C23 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| N14 | H5 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | N14 | C13 | 110.8° | 110.1° |
| N14 | C15 | C16 | 110.9° | 109.8° |
| N14 | C15 | H13 | 124.5° | 125.1° |
| C15 | N14 | H5 | 124.6° | 124.9° |
| N14 | C13 | N12 | 133.2° | 132.8° |
| N14 | C13 | C17 | 106.4° | 107.0° |
| C13 | N14 | H5 | 124.6° | 125.0° |
| C13 | N12 | C11 | 120.7° | 122.4° |
| N12 | C13 | C17 | 120.4° | 120.2° |
| N12 | C11 | C10 | 123.0° | 121.1° |
| N12 | C11 | H12 | 118.5° | 119.4° |
| C15 | C16 | C17 | 104.7° | 106.9° |
| C16 | C15 | H13 | 124.6° | 125.1° |
| C15 | C16 | H14 | 127.6° | 126.6° |
| C13 | C17 | C16 | 107.2° | 106.3° |
| C13 | C17 | C18 | 119.9° | 119.1° |
| C11 | C10 | C18 | 118.1° | 118.9° |
| C11 | C10 | N9 | 135.2° | 134.3° |
| C10 | C11 | H12 | 118.5° | 119.5° |
| C16 | C17 | C18 | 132.9° | 134.6° |
| C17 | C16 | H14 | 127.6° | 126.6° |
| C17 | C18 | C10 | 117.9° | 118.3° |
| C17 | C18 | N7 | 136.0° | 135.5° |
| C18 | C10 | N9 | 106.7° | 106.9° |
| C10 | C18 | N7 | 106.1° | 106.2° |
| C10 | N9 | C8 | 109.8° | 109.5° |
| C18 | N7 | C8 | 108.4° | 107.4° |
| C18 | N7 | C6 | 124.5° | 126.3° |
| N9 | C8 | N7 | 109.0° | 109.9° |
| N9 | C8 | H11 | 125.5° | 125.0° |
| C8 | N7 | C6 | 127.2° | 126.3° |
| N7 | C8 | H11 | 125.5° | 125.0° |
| N7 | C6 | C1 | 113.2° | 109.5° |
| N7 | C6 | C5 | 107.2° | 109.5° |
| N7 | C6 | H10 | 109.2° | 109.6° |
| C1 | C6 | C5 | 110.6° | 109.2° |
| C6 | C1 | C2 | 104.0° | 109.3° |
| C6 | C1 | H1 | 110.8° | 109.4° |
| C6 | C1 | H2 | 110.8° | 109.6° |
| C1 | C6 | H10 | 108.4° | 109.5° |
| C6 | C5 | C4 | 109.2° | 109.3° |
| C6 | C5 | H8 | 109.5° | 109.5° |
| C6 | C5 | H9 | 109.6° | 109.5° |
| C5 | C6 | H10 | 108.2° | 109.5° |
| C1 | C2 | N3 | 110.3° | 109.6° |
| C2 | C1 | H1 | 110.8° | 109.5° |
| C2 | C1 | H2 | 110.9° | 109.5° |
| C1 | C2 | H3 | 109.3° | 109.4° |
| C1 | C2 | H4 | 109.2° | 109.5° |
| C2 | N3 | C4 | 111.8° | 111.2° |
| C2 | N3 | C19 | 109.3° | 111.0° |
| N3 | C2 | H3 | 109.3° | 109.5° |
| N3 | C2 | H4 | 109.3° | 109.4° |
| C5 | C4 | N3 | 110.6° | 109.6° |
| C5 | C4 | H6 | 109.2° | 109.5° |
| C5 | C4 | H7 | 109.2° | 109.5° |
| C4 | C5 | H8 | 109.6° | 109.5° |
| C4 | C5 | H9 | 109.5° | 109.5° |
| C4 | N3 | C19 | 106.3° | 111.0° |
| N3 | C4 | H6 | 109.2° | 109.5° |
| N3 | C4 | H7 | 109.2° | 109.5° |
| C22 | C21 | C20 | 121.6° | 120.0° |
| C21 | C22 | C23 | 116.7° | 120.0° |
| C22 | C21 | H18 | 119.2° | 120.0° |
| C21 | C22 | H19 | 121.6° | 120.0° |
| C21 | C20 | C19 | 120.9° | 120.0° |
| C21 | C20 | C25 | 121.2° | 120.0° |
| C20 | C21 | H18 | 119.2° | 120.0° |
| N3 | C19 | C20 | 113.1° | 109.5° |
| N3 | C19 | H16 | 108.5° | 109.4° |
| N3 | C19 | H17 | 108.5° | 109.5° |
| C22 | C23 | C24 | 122.8° | 120.1° |
| C23 | C22 | H19 | 121.7° | 120.0° |
| C22 | C23 | H20 | 118.6° | 120.0° |
| C19 | C20 | C25 | 117.8° | 120.0° |
| C20 | C19 | H16 | 108.6° | 109.5° |
| C20 | C19 | H17 | 108.6° | 109.5° |
| C20 | C25 | C24 | 116.8° | 120.0° |
| C20 | C25 | H22 | 121.6° | 120.0° |
| C23 | C24 | C25 | 120.9° | 120.0° |
| C24 | C23 | H20 | 118.6° | 120.0° |
| C23 | C24 | H21 | 119.5° | 120.0° |
| C25 | C24 | H21 | 119.5° | 120.0° |
| C24 | C25 | H22 | 121.6° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | N14 | C13 | H5 | 180.0° | 180.0° |
| C15 | N14 | C13 | N12 | 178.9° | 180.0° |
| N14 | C15 | C16 | H13 | 180.0° | 179.9° |
| C15 | N14 | C13 | C17 | 0.4° | 0.0° |
| N14 | C15 | C16 | C17 | 0.4° | 0.1° |
| N14 | C15 | C16 | H14 | 179.6° | 180.0° |
| N14 | C13 | N12 | C17 | 178.4° | 179.9° |
| N14 | C13 | N12 | C11 | 179.7° | 180.0° |
| C13 | N14 | C15 | C16 | 0.0° | 0.0° |
| N14 | C13 | C17 | C16 | 0.6° | 0.0° |
| N14 | C13 | C17 | C18 | 179.4° | 180.0° |
| C13 | N14 | C15 | H13 | 180.0° | 180.0° |
| C13 | N12 | C11 | C10 | 2.2° | 0.0° |
| N12 | C13 | C17 | C16 | 179.4° | 180.0° |
| N12 | C13 | C17 | C18 | 0.6° | 0.1° |
| C13 | N12 | C11 | H12 | 177.7° | 180.0° |
| N12 | C13 | N14 | H5 | 1.1° | 0.1° |
| C11 | N12 | C13 | C17 | 1.9° | 0.0° |
| N12 | C11 | C10 | H12 | 180.0° | 180.0° |
| N12 | C11 | C10 | C18 | 1.2° | 0.0° |
| N12 | C11 | C10 | N9 | 178.7° | 179.5° |
| C15 | C16 | C17 | C13 | 0.6° | 0.1° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.3° | 180.0° |
| C16 | C15 | N14 | H5 | 180.0° | 179.9° |
| C13 | C17 | C16 | C18 | 179.9° | 179.9° |
| C13 | C17 | C18 | C10 | 0.4° | 0.1° |
| C13 | C17 | C18 | N7 | 178.4° | 180.0° |
| C13 | C17 | C16 | H14 | 179.4° | 180.0° |
| C17 | C13 | N14 | H5 | 179.7° | 180.0° |
| C11 | C10 | C18 | C17 | 0.1° | 0.0° |
| C11 | C10 | C18 | N9 | 180.0° | 179.7° |
| C11 | C10 | C18 | N7 | 179.1° | 180.0° |
| C11 | C10 | N9 | C8 | 179.6° | 179.8° |
| C16 | C17 | C18 | C10 | 179.7° | 180.0° |
| C16 | C17 | C18 | N7 | 1.5° | 0.0° |
| C17 | C16 | C15 | H13 | 179.6° | 180.0° |
| C17 | C18 | C10 | N7 | 179.1° | 180.0° |
| C17 | C18 | C10 | N9 | 180.0° | 179.6° |
| C17 | C18 | N7 | C8 | 179.3° | 179.6° |
| C17 | C18 | N7 | C6 | 1.2° | 0.1° |
| C18 | C17 | C16 | H14 | 0.6° | 0.1° |
| C18 | C10 | N9 | C8 | 0.4° | 0.2° |
| C10 | C18 | N7 | C8 | 1.8° | 0.4° |
| C10 | C18 | N7 | C6 | 177.7° | 179.9° |
| C18 | C10 | C11 | H12 | 178.7° | 180.0° |
| N9 | C10 | C18 | N7 | 0.9° | 0.4° |
| C10 | N9 | C8 | N7 | 1.6° | 0.0° |
| C10 | N9 | C8 | H11 | 178.5° | 179.9° |
| N9 | C10 | C11 | H12 | 1.3° | 0.5° |
| C18 | N7 | C8 | N9 | 2.1° | 0.2° |
| C18 | N7 | C8 | C6 | 179.6° | 179.7° |
| C18 | N7 | C6 | C1 | 103.2° | 119.6° |
| C18 | N7 | C6 | C5 | 134.6° | 120.6° |
| C18 | N7 | C6 | H10 | 17.6° | 0.5° |
| C18 | N7 | C8 | H11 | 177.9° | 179.8° |
| N9 | C8 | N7 | H11 | 180.0° | 179.9° |
| N9 | C8 | N7 | C6 | 177.4° | 179.9° |
| C8 | N7 | C6 | C1 | 77.3° | 60.0° |
| C8 | N7 | C6 | C5 | 44.9° | 59.8° |
| C8 | N7 | C6 | H10 | 161.9° | 179.9° |
| N7 | C6 | C1 | C5 | 120.3° | 119.9° |
| N7 | C6 | C1 | H10 | 121.3° | 120.1° |
| N7 | C6 | C5 | H10 | 117.6° | 120.2° |
| N7 | C6 | C1 | C2 | 175.8° | 177.5° |
| N7 | C6 | C5 | C4 | 175.9° | 177.6° |
| N7 | C6 | C1 | H1 | 56.7° | 57.7° |
| N7 | C6 | C1 | H2 | 65.1° | 62.4° |
| N7 | C6 | C5 | H8 | 64.1° | 62.5° |
| N7 | C6 | C5 | H9 | 56.0° | 57.7° |
| C6 | N7 | C8 | H11 | 2.6° | 0.1° |
| C1 | C6 | C5 | H10 | 118.5° | 119.9° |
| C6 | C1 | C2 | H1 | 119.1° | 119.8° |
| C6 | C1 | C2 | H2 | 119.1° | 120.1° |
| C6 | C1 | C2 | N3 | 64.2° | 59.1° |
| C1 | C6 | C5 | C4 | 60.3° | 57.6° |
| C6 | C1 | H1 | H2 | 122.5° | 120.1° |
| C6 | C1 | C2 | H3 | 55.9° | 60.9° |
| C6 | C1 | C2 | H4 | 175.7° | 179.2° |
| C1 | C6 | C5 | H8 | 59.7° | 177.6° |
| C1 | C6 | C5 | H9 | 179.8° | 62.3° |
| C5 | C6 | C1 | C2 | 63.9° | 57.6° |
| C6 | C5 | C4 | H8 | 119.9° | 120.0° |
| C6 | C5 | C4 | H9 | 120.0° | 119.9° |
| C6 | C5 | C4 | N3 | 53.5° | 59.2° |
| C5 | C6 | C1 | H1 | 177.0° | 62.3° |
| C5 | C6 | C1 | H2 | 55.2° | 177.6° |
| C6 | C5 | C4 | H6 | 173.7° | 60.9° |
| C6 | C5 | C4 | H7 | 66.6° | 179.2° |
| C6 | C5 | H8 | H9 | 120.2° | 120.1° |
| C1 | C2 | N3 | H3 | 120.1° | 120.0° |
| C1 | C2 | N3 | H4 | 120.1° | 120.0° |
| C1 | C2 | N3 | C4 | 62.3° | 61.7° |
| C1 | C2 | N3 | C19 | 179.6° | 174.2° |
| C2 | C1 | H1 | H2 | 122.6° | 120.1° |
| C1 | C2 | H3 | H4 | 119.6° | 120.0° |
| C2 | C1 | C6 | H10 | 54.5° | 62.3° |
| C2 | N3 | C4 | C5 | 55.4° | 61.7° |
| C2 | N3 | C4 | C19 | 119.2° | 124.1° |
| C2 | N3 | C19 | C20 | 54.9° | 170.0° |
| N3 | C2 | C1 | H1 | 176.7° | 60.7° |
| N3 | C2 | C1 | H2 | 54.9° | 179.2° |
| N3 | C2 | H3 | H4 | 119.7° | 119.9° |
| C2 | N3 | C4 | H6 | 175.6° | 58.3° |
| C2 | N3 | C4 | H7 | 64.8° | 178.2° |
| C2 | N3 | C19 | H16 | 175.4° | 70.0° |
| C2 | N3 | C19 | H17 | 65.7° | 50.0° |
| C5 | C4 | N3 | H6 | 120.1° | 120.1° |
| C5 | C4 | N3 | H7 | 120.2° | 120.0° |
| C5 | C4 | N3 | C19 | 174.6° | 174.2° |
| C5 | C4 | H6 | H7 | 119.5° | 119.9° |
| C4 | C5 | H8 | H9 | 120.1° | 120.1° |
| C4 | C5 | C6 | H10 | 58.3° | 62.3° |
| C4 | N3 | C19 | C20 | 175.7° | 65.8° |
| C4 | N3 | C2 | H3 | 57.9° | 58.3° |
| C4 | N3 | C2 | H4 | 177.6° | 178.2° |
| N3 | C4 | H6 | H7 | 119.5° | 119.9° |
| N3 | C4 | C5 | H8 | 66.4° | 179.1° |
| N3 | C4 | C5 | H9 | 173.5° | 60.7° |
| C4 | N3 | C19 | H16 | 63.8° | 54.2° |
| C4 | N3 | C19 | H17 | 55.1° | 174.2° |
| C22 | C21 | C20 | H18 | 180.0° | 180.0° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 179.3° | 180.0° |
| C22 | C21 | C20 | C25 | 1.4° | 0.3° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | H20 | 179.7° | 179.9° |
| C21 | C20 | C19 | N3 | 95.1° | 89.7° |
| C20 | C21 | C22 | C23 | 1.0° | 0.0° |
| C21 | C20 | C19 | C25 | 178.0° | 179.7° |
| C21 | C20 | C25 | C24 | 0.9° | 0.5° |
| C21 | C20 | C19 | H16 | 144.3° | 150.3° |
| C21 | C20 | C19 | H17 | 25.4° | 30.3° |
| C20 | C21 | C22 | H19 | 179.0° | 180.0° |
| C21 | C20 | C25 | H22 | 179.1° | 179.7° |
| N3 | C19 | C20 | H16 | 120.5° | 120.0° |
| N3 | C19 | C20 | H17 | 120.5° | 120.0° |
| N3 | C19 | C20 | C25 | 86.8° | 90.0° |
| C19 | N3 | C2 | H3 | 59.5° | 65.8° |
| C19 | N3 | C2 | H4 | 60.3° | 54.1° |
| C19 | N3 | C4 | H6 | 65.3° | 65.8° |
| C19 | N3 | C4 | H7 | 54.4° | 54.1° |
| N3 | C19 | H16 | H17 | 118.3° | 120.0° |
| C22 | C23 | C24 | H20 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C23 | C22 | C21 | H18 | 179.0° | 180.0° |
| C22 | C23 | C24 | H21 | 179.9° | 180.0° |
| C19 | C20 | C25 | C24 | 178.9° | 179.8° |
| C20 | C19 | H16 | H17 | 118.4° | 120.1° |
| C19 | C20 | C21 | H18 | 0.7° | 0.0° |
| C19 | C20 | C25 | H22 | 1.1° | 0.0° |
| C20 | C25 | C24 | C23 | 0.2° | 0.4° |
| C20 | C25 | C24 | H22 | 180.0° | 179.8° |
| C25 | C20 | C19 | H16 | 33.7° | 30.0° |
| C25 | C20 | C19 | H17 | 152.6° | 150.0° |
| C25 | C20 | C21 | H18 | 178.7° | 179.7° |
| C20 | C25 | C24 | H21 | 179.8° | 179.7° |
| C23 | C24 | C25 | H21 | 180.0° | 179.9° |
| C24 | C23 | C22 | H19 | 179.7° | 180.0° |
| C23 | C24 | C25 | H22 | 179.8° | 179.8° |
| C25 | C24 | C23 | H20 | 179.9° | 179.9° |
| H1 | C1 | C2 | H3 | 63.2° | 179.3° |
| H1 | C1 | C2 | H4 | 56.6° | 59.3° |
| H1 | C1 | C6 | H10 | 64.6° | 177.8° |
| H2 | C1 | C2 | H3 | 175.0° | 59.2° |
| H2 | C1 | C2 | H4 | 65.2° | 60.8° |
| H2 | C1 | C6 | H10 | 173.6° | 57.7° |
| H6 | C4 | C5 | H8 | 53.7° | 59.1° |
| H6 | C4 | C5 | H9 | 66.4° | 179.2° |
| H7 | C4 | C5 | H8 | 173.4° | 60.8° |
| H7 | C4 | C5 | H9 | 53.3° | 59.3° |
| H8 | C5 | C6 | H10 | 178.3° | 57.7° |
| H9 | C5 | C6 | H10 | 61.6° | 177.8° |
| H13 | C15 | C16 | H14 | 0.4° | 0.1° |
| H13 | C15 | N14 | H5 | 0.1° | 0.0° |
| H18 | C21 | C22 | H19 | 1.0° | 0.0° |
| H19 | C22 | C23 | H20 | 0.3° | 0.1° |
| H20 | C23 | C24 | H21 | 0.1° | 0.0° |
| H21 | C24 | C25 | H22 | 0.2° | 0.1° |
