5R8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | C35 | sing | 1.47Å | 1.47Å | |
| C35 | C28 | sing | 1.51Å | 1.51Å | |
| C28 | C27 | doub | 1.38Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C23 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | C23 | sing | 1.38Å | 1.44Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.46Å | 1.56Å | |
| C7 | N8 | sing | 1.48Å | 1.50Å | |
| C6 | N2 | sing | 1.48Å | 1.48Å | |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C22 | N8 | sing | 1.47Å | 1.50Å | |
| N8 | C9 | sing | 1.44Å | 1.48Å | |
| N2 | C11 | sing | 1.44Å | 1.50Å | |
| C9 | C10 | sing | 1.54Å | 1.53Å | |
| C11 | C10 | sing | 1.54Å | 1.54Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| N36 | H24 | sing | 1.01Å | 1.00Å | |
| N36 | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N36 | C35 | C28 | 112.4° | 109.5° |
| N36 | C35 | H22 | 108.7° | 109.5° |
| N36 | C35 | H23 | 108.7° | 109.5° |
| C35 | N36 | H24 | 109.5° | 111.0° |
| C35 | N36 | H25 | 109.5° | 111.0° |
| C35 | C28 | C27 | 120.8° | 120.0° |
| C35 | C28 | C29 | 120.0° | 120.0° |
| C28 | C35 | H22 | 108.7° | 109.5° |
| C28 | C35 | H23 | 108.7° | 109.5° |
| C27 | C28 | C29 | 119.2° | 120.0° |
| C28 | C27 | C26 | 120.3° | 120.0° |
| C28 | C27 | H19 | 119.9° | 120.0° |
| C28 | C29 | C30 | 120.4° | 120.0° |
| C28 | C29 | H20 | 119.8° | 120.0° |
| C27 | C26 | C23 | 120.6° | 120.0° |
| C27 | C26 | H18 | 119.7° | 120.0° |
| C26 | C27 | H19 | 119.8° | 120.0° |
| C29 | C30 | C23 | 120.7° | 120.0° |
| C30 | C29 | H20 | 119.8° | 120.0° |
| C29 | C30 | H21 | 119.7° | 120.0° |
| C26 | C23 | C30 | 118.7° | 120.0° |
| C26 | C23 | C22 | 120.3° | 120.0° |
| C23 | C26 | H18 | 119.7° | 120.0° |
| C30 | C23 | C22 | 121.0° | 120.0° |
| C23 | C30 | H21 | 119.6° | 120.0° |
| C23 | C22 | N8 | 119.1° | 109.5° |
| C23 | C22 | H16 | 107.0° | 109.5° |
| C23 | C22 | H17 | 107.0° | 109.5° |
| C6 | C7 | N8 | 117.7° | 112.2° |
| C7 | C6 | N2 | 114.8° | 112.1° |
| C7 | C6 | H1 | 108.1° | 108.9° |
| C7 | C6 | H2 | 108.1° | 108.9° |
| C6 | C7 | H7 | 107.4° | 109.0° |
| C6 | C7 | H8 | 107.4° | 109.0° |
| C7 | N8 | C22 | 118.7° | 111.0° |
| C7 | N8 | C9 | 116.2° | 109.9° |
| N8 | C7 | H7 | 107.4° | 109.0° |
| N8 | C7 | H8 | 107.4° | 108.9° |
| C6 | N2 | C1 | 116.6° | 111.0° |
| C6 | N2 | C11 | 116.7° | 109.9° |
| N2 | C6 | H1 | 108.1° | 108.9° |
| N2 | C6 | H2 | 108.1° | 109.0° |
| C1 | N2 | C11 | 117.8° | 111.0° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| N2 | C1 | H4 | 109.5° | 109.5° |
| N2 | C1 | H5 | 109.5° | 109.5° |
| C22 | N8 | C9 | 114.5° | 111.0° |
| N8 | C22 | H16 | 107.0° | 109.4° |
| N8 | C22 | H17 | 107.0° | 109.4° |
| N8 | C9 | C10 | 111.4° | 112.6° |
| N8 | C9 | H10 | 109.0° | 108.9° |
| N8 | C9 | H11 | 109.0° | 108.9° |
| N2 | C11 | C10 | 116.8° | 112.6° |
| N2 | C11 | H14 | 107.6° | 108.9° |
| N2 | C11 | H15 | 107.6° | 108.9° |
| C9 | C10 | C11 | 112.6° | 111.7° |
| C10 | C9 | H10 | 109.0° | 108.8° |
| C10 | C9 | H11 | 109.0° | 108.8° |
| C9 | C10 | H12 | 108.7° | 109.0° |
| C9 | C10 | H13 | 108.7° | 109.0° |
| C11 | C10 | H12 | 108.7° | 109.1° |
| C11 | C10 | H13 | 108.7° | 109.0° |
| C10 | C11 | H14 | 107.6° | 108.8° |
| C10 | C11 | H15 | 107.6° | 108.9° |
| H1 | C6 | H2 | 109.4° | 108.9° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.4° | 109.4° |
| H7 | C7 | H8 | 109.5° | 108.8° |
| H10 | C9 | H11 | 109.5° | 108.7° |
| H12 | C10 | H13 | 109.5° | 109.0° |
| H14 | C11 | H15 | 109.5° | 108.7° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H24 | N36 | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C35 | C28 | H22 | 120.4° | 120.0° |
| N36 | C35 | C28 | H23 | 120.5° | 120.0° |
| N36 | C35 | C28 | C27 | 69.8° | 90.0° |
| N36 | C35 | C28 | C29 | 110.5° | 90.0° |
| N36 | C35 | H22 | H23 | 118.6° | 120.0° |
| C35 | N36 | H24 | H25 | 120.0° | 124.0° |
| C35 | C28 | C27 | C29 | 179.7° | 180.0° |
| C35 | C28 | C27 | C26 | 180.0° | 179.9° |
| C35 | C28 | C29 | C30 | 179.9° | 179.8° |
| C35 | C28 | C27 | H19 | 0.0° | 0.0° |
| C35 | C28 | C29 | H20 | 0.1° | 0.1° |
| C28 | C35 | H22 | H23 | 118.7° | 120.0° |
| C28 | C35 | N36 | H24 | 180.0° | 180.0° |
| C28 | C35 | N36 | H25 | 60.0° | 56.0° |
| C28 | C27 | C26 | H19 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.2° |
| C28 | C27 | C26 | C23 | 0.4° | 0.1° |
| C28 | C27 | C26 | H18 | 179.6° | 180.0° |
| C27 | C28 | C29 | H20 | 179.8° | 179.9° |
| C27 | C28 | C35 | H22 | 169.8° | 150.0° |
| C27 | C28 | C35 | H23 | 50.6° | 30.0° |
| C29 | C28 | C27 | C26 | 0.3° | 0.1° |
| C28 | C29 | C30 | H20 | 180.0° | 179.8° |
| C28 | C29 | C30 | C23 | 0.3° | 0.5° |
| C29 | C28 | C27 | H19 | 179.8° | 180.0° |
| C28 | C29 | C30 | H21 | 179.7° | 180.0° |
| C29 | C28 | C35 | H22 | 10.0° | 30.0° |
| C29 | C28 | C35 | H23 | 129.1° | 150.0° |
| C27 | C26 | C23 | H18 | 180.0° | 179.9° |
| C27 | C26 | C23 | C30 | 0.5° | 0.2° |
| C27 | C26 | C23 | C22 | 179.9° | 180.0° |
| C29 | C30 | C23 | C26 | 0.5° | 0.6° |
| C29 | C30 | C23 | H21 | 180.0° | 179.4° |
| C29 | C30 | C23 | C22 | 180.0° | 179.7° |
| C26 | C23 | C30 | C22 | 179.6° | 179.8° |
| C26 | C23 | C22 | N8 | 99.0° | 90.0° |
| C26 | C23 | C22 | H16 | 22.4° | 30.0° |
| C26 | C23 | C22 | H17 | 139.7° | 150.0° |
| C23 | C26 | C27 | H19 | 179.6° | 180.0° |
| C26 | C23 | C30 | H21 | 179.6° | 180.0° |
| C30 | C23 | C22 | N8 | 81.5° | 90.3° |
| C30 | C23 | C22 | H16 | 157.2° | 149.8° |
| C30 | C23 | C22 | H17 | 39.9° | 29.8° |
| C30 | C23 | C26 | H18 | 179.5° | 179.7° |
| C23 | C30 | C29 | H20 | 179.7° | 179.6° |
| C23 | C22 | N8 | C7 | 1.5° | 66.0° |
| C23 | C22 | N8 | H16 | 121.4° | 120.0° |
| C23 | C22 | N8 | H17 | 121.3° | 120.1° |
| C23 | C22 | N8 | C9 | 141.7° | 171.4° |
| C23 | C22 | H16 | H17 | 115.7° | 120.0° |
| C22 | C23 | C26 | H18 | 0.1° | 0.1° |
| C22 | C23 | C30 | H21 | 0.0° | 0.3° |
| C6 | C7 | N8 | H7 | 121.2° | 120.7° |
| C6 | C7 | N8 | H8 | 121.2° | 120.7° |
| C7 | C6 | N2 | H1 | 120.8° | 120.7° |
| C7 | C6 | N2 | H2 | 120.8° | 120.6° |
| C7 | C6 | N2 | C1 | 64.9° | 156.5° |
| C6 | C7 | N8 | C22 | 165.2° | 156.4° |
| C6 | C7 | N8 | C9 | 22.5° | 80.4° |
| C7 | C6 | N2 | C11 | 81.7° | 80.3° |
| C7 | C6 | H1 | H2 | 117.6° | 118.7° |
| C6 | C7 | H7 | H8 | 116.3° | 118.7° |
| N8 | C7 | C6 | N2 | 51.3° | 60.7° |
| C7 | N8 | C22 | C9 | 143.3° | 122.5° |
| C7 | N8 | C9 | C10 | 84.3° | 94.3° |
| N8 | C7 | C6 | H1 | 69.5° | 60.0° |
| N8 | C7 | C6 | H2 | 172.1° | 178.7° |
| N8 | C7 | H7 | H8 | 116.3° | 118.6° |
| C7 | N8 | C9 | H10 | 155.4° | 144.9° |
| C7 | N8 | C9 | H11 | 36.0° | 26.5° |
| C7 | N8 | C22 | H16 | 119.8° | 54.0° |
| C7 | N8 | C22 | H17 | 122.9° | 173.9° |
| C6 | N2 | C1 | C11 | 146.2° | 122.5° |
| C6 | N2 | C11 | C10 | 63.0° | 94.4° |
| N2 | C6 | H1 | H2 | 117.6° | 118.7° |
| C6 | N2 | C1 | H3 | 180.0° | 60.0° |
| C6 | N2 | C1 | H4 | 60.0° | 180.0° |
| C6 | N2 | C1 | H5 | 60.0° | 60.0° |
| N2 | C6 | C7 | H7 | 69.9° | 178.6° |
| N2 | C6 | C7 | H8 | 172.4° | 60.0° |
| C6 | N2 | C11 | H14 | 58.1° | 144.8° |
| C6 | N2 | C11 | H15 | 176.0° | 26.5° |
| C1 | N2 | C11 | C10 | 83.2° | 142.5° |
| C1 | N2 | C6 | H1 | 174.4° | 82.8° |
| C1 | N2 | C6 | H2 | 55.9° | 35.9° |
| N2 | C1 | H3 | H4 | 120.0° | 120.1° |
| N2 | C1 | H3 | H5 | 120.0° | 120.0° |
| N2 | C1 | H4 | H5 | 120.0° | 120.0° |
| C1 | N2 | C11 | H14 | 155.7° | 21.7° |
| C1 | N2 | C11 | H15 | 37.8° | 96.7° |
| C22 | N8 | C9 | C10 | 131.5° | 142.5° |
| C22 | N8 | C7 | H7 | 73.7° | 35.7° |
| C22 | N8 | C7 | H8 | 44.0° | 82.9° |
| C22 | N8 | C9 | H10 | 11.2° | 21.7° |
| C22 | N8 | C9 | H11 | 108.2° | 96.7° |
| N8 | C22 | H16 | H17 | 115.6° | 119.9° |
| N8 | C9 | C10 | H10 | 120.3° | 120.8° |
| N8 | C9 | C10 | H11 | 120.3° | 120.8° |
| N8 | C9 | C10 | C11 | 82.2° | 41.1° |
| C9 | N8 | C7 | H7 | 143.7° | 158.9° |
| C9 | N8 | C7 | H8 | 98.6° | 40.4° |
| N8 | C9 | H10 | H11 | 119.1° | 118.5° |
| N8 | C9 | C10 | H12 | 38.3° | 79.5° |
| N8 | C9 | C10 | H13 | 157.3° | 161.6° |
| C9 | N8 | C22 | H16 | 96.9° | 68.6° |
| C9 | N8 | C22 | H17 | 20.4° | 51.4° |
| N2 | C11 | C10 | C9 | 55.9° | 41.1° |
| N2 | C11 | C10 | H14 | 121.1° | 120.8° |
| N2 | C11 | C10 | H15 | 121.1° | 120.9° |
| C11 | N2 | C6 | H1 | 39.0° | 40.3° |
| C11 | N2 | C6 | H2 | 157.5° | 159.0° |
| C11 | N2 | C1 | H3 | 33.8° | 62.5° |
| C11 | N2 | C1 | H4 | 153.8° | 57.5° |
| C11 | N2 | C1 | H5 | 86.3° | 177.4° |
| N2 | C11 | C10 | H12 | 64.6° | 161.7° |
| N2 | C11 | C10 | H13 | 176.3° | 79.4° |
| N2 | C11 | H14 | H15 | 116.6° | 118.5° |
| C9 | C10 | C11 | H12 | 120.4° | 120.5° |
| C9 | C10 | C11 | H13 | 120.5° | 120.5° |
| C10 | C9 | H10 | H11 | 119.1° | 118.4° |
| C9 | C10 | H12 | H13 | 118.5° | 118.9° |
| C9 | C10 | C11 | H14 | 65.2° | 161.9° |
| C9 | C10 | C11 | H15 | 176.9° | 79.7° |
| C11 | C10 | C9 | H10 | 157.5° | 161.9° |
| C11 | C10 | C9 | H11 | 38.1° | 79.7° |
| C11 | C10 | H12 | H13 | 118.6° | 118.9° |
| C10 | C11 | H14 | H15 | 116.7° | 118.4° |
| H1 | C6 | C7 | H7 | 169.3° | 60.7° |
| H1 | C6 | C7 | H8 | 51.6° | 179.3° |
| H2 | C6 | C7 | H7 | 50.9° | 58.0° |
| H2 | C6 | C7 | H8 | 66.7° | 60.6° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H10 | C9 | C10 | H12 | 82.0° | 41.3° |
| H10 | C9 | C10 | H13 | 37.0° | 77.6° |
| H11 | C9 | C10 | H12 | 158.6° | 159.7° |
| H11 | C9 | C10 | H13 | 82.4° | 40.8° |
| H12 | C10 | C11 | H14 | 174.4° | 77.5° |
| H12 | C10 | C11 | H15 | 56.5° | 40.8° |
| H13 | C10 | C11 | H14 | 55.3° | 41.4° |
| H13 | C10 | C11 | H15 | 62.6° | 159.7° |
| H18 | C26 | C27 | H19 | 0.4° | 0.1° |
| H20 | C29 | C30 | H21 | 0.3° | 0.2° |
| H22 | C35 | N36 | H24 | 59.5° | 60.0° |
| H22 | C35 | N36 | H25 | 60.5° | 176.1° |
| H23 | C35 | N36 | H24 | 59.6° | 60.0° |
| H23 | C35 | N36 | H25 | 179.6° | 64.0° |
