7KN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C8 | doub | 1.29Å | 1.31Å | |
| C8 | C25 | sing | 1.48Å | 1.42Å | |
| C25 | N26 | doub | 1.33Å | 1.34Å | Aromatic |
| C25 | N24 | sing | 1.33Å | 1.34Å | Aromatic |
| N26 | C27 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | N6 | sing | 1.47Å | 1.47Å | |
| C4 | O3 | sing | 1.43Å | 1.45Å | |
| N24 | C23 | doub | 1.33Å | 1.33Å | Aromatic |
| C27 | N6 | sing | 1.38Å | 1.37Å | |
| C27 | N22 | doub | 1.33Å | 1.32Å | Aromatic |
| N6 | C1 | sing | 1.47Å | 1.49Å | |
| O3 | C2 | sing | 1.43Å | 1.43Å | |
| C23 | N22 | sing | 1.33Å | 1.37Å | Aromatic |
| C23 | N21 | sing | 1.38Å | 1.39Å | |
| C19 | C20 | sing | 1.55Å | 1.61Å | |
| C19 | C18 | sing | 1.54Å | 1.57Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C20 | N21 | sing | 1.47Å | 1.48Å | |
| C20 | C16 | sing | 1.55Å | 1.52Å | |
| C18 | C17 | sing | 1.54Å | 1.55Å | |
| N21 | C15 | sing | 1.46Å | 1.52Å | |
| C16 | C17 | sing | 1.54Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.44Å | |
| C9 | C14 | doub | 1.38Å | 1.43Å | Aromatic |
| C9 | N10 | sing | 1.32Å | 1.39Å | Aromatic |
| C14 | N13 | sing | 1.32Å | 1.38Å | Aromatic |
| N10 | C11 | doub | 1.32Å | 1.36Å | Aromatic |
| N13 | C12 | doub | 1.32Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C8 | C25 | 122.1° | 120.0° |
| N7 | C8 | H17 | 118.9° | 120.0° |
| C8 | C25 | N26 | 120.1° | 120.0° |
| C8 | C25 | N24 | 117.5° | 120.0° |
| C25 | C8 | H17 | 119.0° | 120.0° |
| N26 | C25 | N24 | 122.1° | 120.0° |
| C25 | N26 | C27 | 118.6° | 120.0° |
| C25 | N24 | C23 | 118.0° | 120.0° |
| N26 | C27 | N6 | 118.6° | 120.0° |
| N26 | C27 | N22 | 121.1° | 120.0° |
| C4 | C5 | N6 | 100.1° | 109.2° |
| C5 | C4 | O3 | 108.4° | 109.3° |
| C5 | C4 | H12 | 109.7° | 109.4° |
| C5 | C4 | H13 | 109.7° | 109.6° |
| C4 | C5 | H14 | 111.8° | 109.5° |
| C4 | C5 | H15 | 111.8° | 109.6° |
| C5 | N6 | C27 | 120.5° | 111.0° |
| C5 | N6 | C1 | 115.5° | 110.7° |
| N6 | C5 | H14 | 111.7° | 109.5° |
| N6 | C5 | H15 | 111.7° | 109.5° |
| C4 | O3 | C2 | 111.8° | 113.7° |
| O3 | C4 | H12 | 109.7° | 109.5° |
| O3 | C4 | H13 | 109.7° | 109.5° |
| N24 | C23 | N22 | 120.8° | 120.0° |
| N24 | C23 | N21 | 116.3° | 120.0° |
| N6 | C27 | N22 | 120.3° | 120.1° |
| C27 | N6 | C1 | 123.4° | 111.0° |
| C27 | N22 | C23 | 119.0° | 120.0° |
| N6 | C1 | C2 | 100.0° | 109.3° |
| N6 | C1 | H8 | 111.8° | 109.5° |
| N6 | C1 | H9 | 111.8° | 109.5° |
| O3 | C2 | C1 | 104.2° | 109.2° |
| O3 | C2 | H10 | 110.8° | 109.5° |
| O3 | C2 | H11 | 110.8° | 109.6° |
| N22 | C23 | N21 | 122.8° | 120.0° |
| C23 | N21 | C20 | 119.0° | 119.9° |
| C23 | N21 | C15 | 124.8° | 120.1° |
| C20 | C19 | C18 | 103.9° | 104.2° |
| C19 | C20 | N21 | 111.5° | 110.8° |
| C19 | C20 | C16 | 102.1° | 102.7° |
| C20 | C19 | H22 | 110.9° | 110.5° |
| C20 | C19 | H23 | 110.8° | 110.5° |
| C19 | C20 | H24 | 108.9° | 110.7° |
| C19 | C18 | C17 | 103.7° | 106.6° |
| C19 | C18 | H20 | 110.9° | 110.1° |
| C19 | C18 | H21 | 110.9° | 110.0° |
| C18 | C19 | H22 | 110.9° | 110.4° |
| C18 | C19 | H23 | 110.9° | 110.5° |
| C2 | C1 | H8 | 111.8° | 109.5° |
| C2 | C1 | H9 | 111.8° | 109.5° |
| C1 | C2 | H10 | 110.8° | 109.5° |
| C1 | C2 | H11 | 110.8° | 109.5° |
| N21 | C20 | C16 | 113.1° | 110.8° |
| C20 | N21 | C15 | 114.1° | 120.0° |
| N21 | C20 | H24 | 110.7° | 110.6° |
| C20 | C16 | C17 | 112.6° | 104.2° |
| C20 | C16 | H1 | 108.7° | 110.5° |
| C20 | C16 | H2 | 108.7° | 110.6° |
| C16 | C20 | H24 | 110.1° | 110.9° |
| C18 | C17 | C16 | 103.9° | 106.6° |
| C18 | C17 | H18 | 110.8° | 110.0° |
| C18 | C17 | H19 | 110.9° | 110.1° |
| C17 | C18 | H20 | 110.9° | 110.1° |
| C17 | C18 | H21 | 110.9° | 110.0° |
| N21 | C15 | C14 | 105.6° | 109.5° |
| N21 | C15 | H5 | 110.4° | 109.5° |
| N21 | C15 | H6 | 110.5° | 109.5° |
| C17 | C16 | H1 | 108.7° | 110.5° |
| C17 | C16 | H2 | 108.7° | 110.5° |
| C16 | C17 | H18 | 110.9° | 110.0° |
| C16 | C17 | H19 | 110.8° | 110.0° |
| C15 | C14 | C9 | 129.5° | 120.0° |
| C15 | C14 | N13 | 114.1° | 120.0° |
| C14 | C15 | H5 | 110.4° | 109.5° |
| C14 | C15 | H6 | 110.4° | 109.5° |
| C14 | C9 | N10 | 123.9° | 120.0° |
| C9 | C14 | N13 | 116.4° | 120.0° |
| C14 | C9 | H7 | 118.1° | 119.9° |
| C9 | N10 | C11 | 118.4° | 120.0° |
| N10 | C9 | H7 | 118.0° | 120.1° |
| C14 | N13 | C12 | 119.7° | 120.0° |
| N10 | C11 | C12 | 119.0° | 120.0° |
| N10 | C11 | H4 | 120.5° | 120.0° |
| N13 | C12 | C11 | 121.9° | 120.0° |
| N13 | C12 | H3 | 119.0° | 120.1° |
| C11 | C12 | H3 | 119.1° | 119.9° |
| C12 | C11 | H4 | 120.5° | 120.1° |
| H1 | C16 | H2 | 109.5° | 110.4° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.6° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C4 | H13 | 109.5° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.6° |
| H18 | C17 | H19 | 109.5° | 110.0° |
| H20 | C18 | H21 | 109.5° | 110.0° |
| H22 | C19 | H23 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C8 | C25 | H17 | 180.0° | 180.0° |
| N7 | C8 | C25 | N26 | 4.7° | 0.0° |
| N7 | C8 | C25 | N24 | 178.8° | 180.0° |
| C8 | C25 | N26 | N24 | 173.8° | 180.0° |
| C8 | C25 | N26 | C27 | 179.9° | 180.0° |
| C8 | C25 | N24 | C23 | 176.0° | 180.0° |
| N26 | C25 | N24 | C23 | 2.0° | 0.0° |
| C25 | N26 | C27 | N6 | 173.4° | 180.0° |
| C25 | N26 | C27 | N22 | 7.9° | 0.0° |
| N26 | C25 | C8 | H17 | 175.3° | 179.9° |
| N24 | C25 | N26 | C27 | 6.1° | 0.1° |
| C25 | N24 | C23 | N22 | 0.3° | 0.0° |
| C25 | N24 | C23 | N21 | 175.4° | 180.0° |
| N24 | C25 | C8 | H17 | 1.2° | 0.0° |
| N26 | C27 | N6 | C5 | 1.2° | 0.0° |
| N26 | C27 | N6 | N22 | 178.7° | 180.0° |
| N26 | C27 | N6 | C1 | 171.3° | 123.7° |
| N26 | C27 | N22 | C23 | 5.7° | 0.0° |
| C4 | C5 | N6 | H14 | 118.4° | 119.9° |
| C4 | C5 | N6 | H15 | 118.4° | 120.0° |
| C5 | C4 | O3 | H12 | 119.9° | 119.8° |
| C5 | C4 | O3 | H13 | 119.8° | 120.1° |
| C4 | C5 | N6 | C27 | 123.8° | 177.6° |
| C4 | C5 | N6 | C1 | 65.4° | 58.6° |
| C5 | C4 | O3 | C2 | 66.9° | 58.7° |
| C5 | C4 | H12 | H13 | 120.5° | 120.1° |
| C4 | C5 | H14 | H15 | 124.4° | 120.2° |
| N6 | C5 | C4 | O3 | 56.6° | 56.9° |
| C5 | N6 | C27 | C1 | 170.1° | 123.6° |
| C5 | N6 | C27 | N22 | 179.9° | 180.0° |
| C5 | N6 | C1 | C2 | 71.8° | 58.6° |
| C5 | N6 | C1 | H8 | 169.7° | 61.3° |
| C5 | N6 | C1 | H9 | 46.6° | 178.5° |
| N6 | C5 | C4 | H12 | 176.5° | 176.8° |
| N6 | C5 | C4 | H13 | 63.2° | 63.2° |
| N6 | C5 | H14 | H15 | 124.4° | 120.1° |
| C4 | O3 | C2 | C1 | 71.3° | 58.7° |
| C4 | O3 | C2 | H10 | 169.5° | 61.2° |
| C4 | O3 | C2 | H11 | 47.9° | 178.6° |
| O3 | C4 | H12 | H13 | 120.5° | 120.1° |
| O3 | C4 | C5 | H14 | 175.1° | 176.8° |
| O3 | C4 | C5 | H15 | 61.8° | 63.0° |
| N24 | C23 | N22 | C27 | 1.5° | 0.0° |
| N24 | C23 | N22 | N21 | 175.5° | 180.0° |
| N24 | C23 | N21 | C20 | 16.3° | 0.0° |
| N24 | C23 | N21 | C15 | 146.2° | 180.0° |
| N6 | C27 | N22 | C23 | 175.6° | 180.0° |
| C27 | N6 | C1 | C2 | 117.7° | 177.6° |
| C27 | N6 | C1 | H8 | 0.8° | 62.5° |
| C27 | N6 | C1 | H9 | 123.9° | 57.7° |
| C27 | N6 | C5 | H14 | 5.4° | 57.7° |
| C27 | N6 | C5 | H15 | 117.7° | 62.4° |
| N22 | C27 | N6 | C1 | 10.0° | 56.3° |
| C27 | N22 | C23 | N21 | 177.0° | 180.0° |
| N6 | C1 | C2 | O3 | 66.2° | 56.8° |
| N6 | C1 | C2 | H8 | 118.5° | 119.9° |
| N6 | C1 | C2 | H9 | 118.5° | 119.9° |
| N6 | C1 | H8 | H9 | 124.4° | 120.1° |
| N6 | C1 | C2 | H10 | 174.6° | 63.1° |
| N6 | C1 | C2 | H11 | 53.0° | 176.9° |
| C1 | N6 | C5 | H14 | 176.2° | 178.6° |
| C1 | N6 | C5 | H15 | 53.1° | 61.3° |
| O3 | C2 | C1 | H10 | 119.2° | 119.9° |
| O3 | C2 | C1 | H11 | 119.2° | 120.0° |
| O3 | C2 | C1 | H8 | 175.4° | 63.1° |
| O3 | C2 | C1 | H9 | 52.3° | 176.8° |
| O3 | C2 | H10 | H11 | 122.5° | 120.2° |
| C2 | O3 | C4 | H12 | 173.3° | 178.6° |
| C2 | O3 | C4 | H13 | 53.0° | 61.3° |
| N22 | C23 | N21 | C20 | 168.0° | 180.0° |
| N22 | C23 | N21 | C15 | 29.5° | 0.0° |
| C23 | N21 | C20 | C19 | 94.1° | 60.0° |
| C23 | N21 | C20 | C15 | 164.3° | 180.0° |
| C23 | N21 | C20 | C16 | 151.5° | 53.4° |
| C23 | N21 | C15 | C14 | 93.0° | 90.0° |
| C23 | N21 | C15 | H5 | 26.4° | 150.0° |
| C23 | N21 | C15 | H6 | 147.6° | 30.0° |
| C23 | N21 | C20 | H24 | 27.4° | 176.8° |
| C20 | C19 | C18 | H22 | 119.1° | 118.7° |
| C20 | C19 | C18 | H23 | 119.1° | 118.7° |
| C19 | C20 | N21 | C16 | 114.4° | 113.4° |
| C19 | C20 | N21 | H24 | 121.5° | 123.2° |
| C19 | C20 | C16 | H24 | 115.6° | 118.4° |
| C20 | C19 | C18 | C17 | 37.1° | 23.7° |
| C19 | C20 | N21 | C15 | 70.2° | 120.0° |
| C19 | C20 | C16 | C17 | 5.4° | 37.9° |
| C19 | C20 | C16 | H1 | 125.9° | 80.8° |
| C19 | C20 | C16 | H2 | 115.1° | 156.6° |
| C20 | C19 | C18 | H20 | 156.2° | 95.7° |
| C20 | C19 | C18 | H21 | 82.0° | 142.9° |
| C20 | C19 | H22 | H23 | 122.6° | 122.6° |
| C18 | C19 | C20 | N21 | 146.9° | 156.3° |
| C18 | C19 | C20 | C16 | 25.9° | 38.0° |
| C19 | C18 | C17 | H20 | 119.1° | 119.3° |
| C19 | C18 | C17 | H21 | 119.1° | 119.3° |
| C19 | C18 | C17 | C16 | 33.4° | 0.1° |
| C19 | C18 | C17 | H18 | 85.7° | 119.3° |
| C19 | C18 | C17 | H19 | 152.6° | 119.3° |
| C19 | C18 | H20 | H21 | 122.7° | 121.4° |
| C18 | C19 | H22 | H23 | 122.6° | 122.6° |
| C18 | C19 | C20 | H24 | 90.6° | 80.5° |
| C2 | C1 | H8 | H9 | 124.4° | 120.1° |
| C1 | C2 | H10 | H11 | 122.4° | 120.0° |
| N21 | C20 | C16 | H24 | 124.4° | 123.3° |
| N21 | C20 | C16 | C17 | 125.4° | 156.3° |
| C20 | N21 | C15 | C14 | 103.7° | 90.0° |
| N21 | C20 | C16 | H1 | 114.2° | 37.6° |
| N21 | C20 | C16 | H2 | 4.9° | 85.0° |
| C20 | N21 | C15 | H5 | 136.9° | 30.0° |
| C20 | N21 | C15 | H6 | 15.6° | 150.0° |
| N21 | C20 | C19 | H22 | 27.8° | 85.1° |
| N21 | C20 | C19 | H23 | 93.9° | 37.6° |
| C20 | C16 | C17 | C18 | 17.5° | 23.6° |
| C16 | C20 | N21 | C15 | 44.2° | 126.7° |
| C20 | C16 | C17 | H1 | 120.5° | 118.7° |
| C20 | C16 | C17 | H2 | 120.5° | 118.8° |
| C20 | C16 | H1 | H2 | 118.6° | 122.6° |
| C20 | C16 | C17 | H18 | 101.6° | 95.7° |
| C20 | C16 | C17 | H19 | 136.6° | 143.0° |
| C16 | C20 | C19 | H22 | 93.2° | 156.6° |
| C16 | C20 | C19 | H23 | 145.0° | 80.7° |
| C18 | C17 | C16 | H18 | 119.1° | 119.2° |
| C18 | C17 | C16 | H19 | 119.1° | 119.4° |
| C18 | C17 | C16 | H1 | 103.0° | 95.2° |
| C18 | C17 | C16 | H2 | 138.0° | 142.3° |
| C18 | C17 | H18 | H19 | 122.6° | 121.5° |
| C17 | C18 | H20 | H21 | 122.6° | 121.4° |
| C17 | C18 | C19 | H22 | 82.0° | 142.3° |
| C17 | C18 | C19 | H23 | 156.2° | 95.0° |
| N21 | C15 | C14 | H5 | 119.4° | 120.0° |
| N21 | C15 | C14 | H6 | 119.4° | 120.0° |
| N21 | C15 | C14 | C9 | 25.6° | 95.0° |
| N21 | C15 | C14 | N13 | 155.0° | 85.0° |
| N21 | C15 | H5 | H6 | 121.8° | 120.0° |
| C15 | N21 | C20 | H24 | 168.3° | 3.2° |
| C17 | C16 | H1 | H2 | 118.6° | 122.5° |
| C16 | C17 | H18 | H19 | 122.6° | 121.4° |
| C16 | C17 | C18 | H20 | 152.6° | 119.3° |
| C16 | C17 | C18 | H21 | 85.6° | 119.3° |
| C17 | C16 | C20 | H24 | 110.2° | 80.4° |
| C15 | C14 | C9 | N13 | 179.3° | 180.0° |
| C15 | C14 | C9 | N10 | 176.2° | 179.7° |
| C15 | C14 | N13 | C12 | 177.2° | 180.0° |
| C14 | C15 | H5 | H6 | 121.8° | 120.0° |
| C15 | C14 | C9 | H7 | 3.7° | 0.0° |
| C14 | C9 | N10 | H7 | 180.0° | 179.7° |
| C14 | C9 | N10 | C11 | 10.2° | 0.3° |
| C9 | C14 | N13 | C12 | 2.2° | 0.0° |
| C9 | C14 | C15 | H5 | 93.8° | 145.0° |
| C9 | C14 | C15 | H6 | 145.1° | 25.0° |
| N10 | C9 | C14 | N13 | 4.5° | 0.3° |
| C9 | N10 | C11 | C12 | 8.8° | 0.1° |
| C9 | N10 | C11 | H4 | 171.2° | 180.0° |
| C14 | N13 | C12 | C11 | 3.2° | 0.3° |
| C14 | N13 | C12 | H3 | 176.8° | 179.9° |
| N13 | C14 | C15 | H5 | 85.6° | 35.0° |
| N13 | C14 | C15 | H6 | 35.6° | 155.0° |
| N13 | C14 | C9 | H7 | 175.6° | 180.0° |
| N10 | C11 | C12 | N13 | 2.5° | 0.2° |
| N10 | C11 | C12 | H4 | 180.0° | 180.0° |
| N10 | C11 | C12 | H3 | 177.5° | 179.9° |
| C11 | N10 | C9 | H7 | 169.9° | 180.0° |
| N13 | C12 | C11 | H3 | 180.0° | 179.7° |
| N13 | C12 | C11 | H4 | 177.5° | 179.7° |
| H1 | C16 | C17 | H18 | 137.9° | 145.6° |
| H1 | C16 | C17 | H19 | 16.2° | 24.3° |
| H1 | C16 | C20 | H24 | 10.3° | 160.8° |
| H2 | C16 | C17 | H18 | 18.9° | 23.1° |
| H2 | C16 | C17 | H19 | 102.9° | 98.2° |
| H2 | C16 | C20 | H24 | 129.3° | 38.3° |
| H3 | C12 | C11 | H4 | 2.5° | 0.1° |
| H8 | C1 | C2 | H10 | 56.2° | 177.0° |
| H8 | C1 | C2 | H11 | 65.5° | 56.9° |
| H9 | C1 | C2 | H10 | 66.9° | 56.8° |
| H9 | C1 | C2 | H11 | 171.4° | 63.2° |
| H12 | C4 | C5 | H14 | 65.1° | 63.3° |
| H12 | C4 | C5 | H15 | 58.1° | 56.9° |
| H13 | C4 | C5 | H14 | 55.3° | 56.7° |
| H13 | C4 | C5 | H15 | 178.4° | 177.0° |
| H18 | C17 | C18 | H20 | 33.4° | 0.1° |
| H18 | C17 | C18 | H21 | 155.2° | 121.5° |
| H19 | C17 | C18 | H20 | 88.3° | 121.4° |
| H19 | C17 | C18 | H21 | 33.5° | 0.0° |
| H20 | C18 | C19 | H22 | 37.0° | 23.0° |
| H20 | C18 | C19 | H23 | 84.7° | 145.6° |
| H21 | C18 | C19 | H22 | 158.9° | 98.4° |
| H21 | C18 | C19 | H23 | 37.1° | 24.2° |
| H22 | C19 | C20 | H24 | 150.3° | 38.1° |
| H23 | C19 | C20 | H24 | 28.5° | 160.8° |
