NG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.51Å | 1.50Å | |
| F1 | B1 | sing | 1.37Å | 1.39Å | |
| F2 | B1 | sing | 1.37Å | 1.39Å | |
| C4 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.38Å | Aromatic |
| O1 | C14 | doub | 1.21Å | 1.23Å | |
| B1 | N1 | sing | 1.51Å | 1.56Å | |
| B1 | N6 | sing | 1.51Å | 1.56Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C14 | N2 | sing | 1.35Å | 1.35Å | |
| N6 | C11 | sing | 1.36Å | 1.36Å | Aromatic |
| N6 | C8 | sing | 1.37Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.35Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C2 | C6 | doub | 1.35Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N2 | C15 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.39Å | |
| C8 | C7 | sing | 1.51Å | 1.41Å | |
| C8 | C9 | doub | 1.35Å | 1.40Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.37Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N1 | 124.4° | 125.9° |
| C5 | C4 | C3 | 127.1° | 125.8° |
| C4 | C5 | H5 | 109.5° | 109.5° |
| C4 | C5 | H6 | 109.5° | 109.5° |
| C4 | C5 | H7 | 109.5° | 109.4° |
| F1 | B1 | F2 | 109.8° | 109.8° |
| F1 | B1 | N1 | 108.8° | 109.6° |
| F1 | B1 | N6 | 108.9° | 109.5° |
| F2 | B1 | N1 | 110.6° | 109.7° |
| F2 | B1 | N6 | 110.8° | 109.8° |
| N1 | C4 | C3 | 108.6° | 108.2° |
| C4 | N1 | B1 | 127.7° | 126.4° |
| C4 | N1 | C6 | 108.3° | 108.7° |
| C4 | C3 | C2 | 107.1° | 107.4° |
| C4 | C3 | H4 | 126.4° | 126.3° |
| O1 | C14 | C13 | 121.9° | 120.0° |
| O1 | C14 | N2 | 121.1° | 120.0° |
| N1 | B1 | N6 | 107.9° | 108.5° |
| B1 | N1 | C6 | 123.8° | 124.9° |
| B1 | N6 | C11 | 128.4° | 126.5° |
| B1 | N6 | C8 | 123.9° | 124.8° |
| C13 | C12 | C11 | 113.5° | 109.5° |
| C12 | C13 | C14 | 116.3° | 109.5° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H11 | 108.4° | 109.4° |
| C12 | C13 | H13 | 107.7° | 109.5° |
| C12 | C13 | H14 | 107.7° | 109.4° |
| C12 | C11 | N6 | 125.5° | 125.9° |
| C12 | C11 | C10 | 125.9° | 125.9° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H11 | 108.5° | 109.5° |
| N1 | C6 | C2 | 107.0° | 108.3° |
| N1 | C6 | C7 | 121.4° | 125.1° |
| C3 | C2 | C6 | 107.7° | 107.4° |
| C3 | C2 | C1 | 126.4° | 126.4° |
| C2 | C3 | H4 | 126.4° | 126.2° |
| C13 | C14 | N2 | 117.1° | 120.0° |
| C14 | C13 | H13 | 107.7° | 109.5° |
| C14 | C13 | H14 | 107.7° | 109.4° |
| C14 | N2 | C15 | 125.7° | 120.0° |
| C14 | N2 | H15 | 117.1° | 120.1° |
| C11 | N6 | C8 | 107.7° | 108.7° |
| N6 | C11 | C10 | 108.6° | 108.2° |
| N6 | C8 | C7 | 119.9° | 125.2° |
| N6 | C8 | C9 | 108.3° | 108.2° |
| C11 | C10 | C9 | 108.2° | 107.5° |
| C11 | C10 | H10 | 125.9° | 126.2° |
| C16 | C15 | N2 | 112.9° | 109.5° |
| C16 | C15 | H17 | 108.6° | 109.5° |
| C16 | C15 | H16 | 108.6° | 109.4° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.4° | 109.5° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C6 | C2 | C1 | 126.0° | 126.3° |
| C2 | C6 | C7 | 131.5° | 126.6° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C15 | N2 | H15 | 117.1° | 120.0° |
| N2 | C15 | H17 | 108.6° | 109.5° |
| N2 | C15 | H16 | 108.6° | 109.5° |
| C6 | C7 | C8 | 121.6° | 108.5° |
| C6 | C7 | H8 | 106.4° | 109.6° |
| C6 | C7 | H20 | 106.4° | 109.6° |
| C7 | C8 | C9 | 131.8° | 126.6° |
| C8 | C7 | H8 | 106.3° | 109.6° |
| C8 | C7 | H20 | 106.3° | 109.8° |
| C8 | C9 | C10 | 107.1° | 107.4° |
| C8 | C9 | H9 | 126.4° | 126.3° |
| C10 | C9 | H9 | 126.4° | 126.3° |
| C9 | C10 | H10 | 125.9° | 126.3° |
| H3 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.5° |
| H5 | C5 | H7 | 109.5° | 109.4° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C7 | H20 | 109.5° | 109.7° |
| H12 | C12 | H11 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H17 | C15 | H16 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H21 | 109.5° | 109.4° |
| H19 | C16 | H21 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N1 | C3 | 179.9° | 180.0° |
| C5 | C4 | N1 | B1 | 3.0° | 0.1° |
| C5 | C4 | N1 | C6 | 178.1° | 180.0° |
| C5 | C4 | C3 | C2 | 171.4° | 180.0° |
| C5 | C4 | C3 | H4 | 8.6° | 0.0° |
| C4 | C5 | H5 | H6 | 120.0° | 120.1° |
| C4 | C5 | H5 | H7 | 120.0° | 119.9° |
| C4 | C5 | H6 | H7 | 120.0° | 120.0° |
| F1 | B1 | F2 | N1 | 120.1° | 120.5° |
| F1 | B1 | F2 | N6 | 120.4° | 120.4° |
| F1 | B1 | N1 | C4 | 69.5° | 47.3° |
| F1 | B1 | N1 | N6 | 118.1° | 119.5° |
| F1 | B1 | N1 | C6 | 104.9° | 132.8° |
| F1 | B1 | N6 | C11 | 71.2° | 47.3° |
| F1 | B1 | N6 | C8 | 107.6° | 133.1° |
| F2 | B1 | N1 | C4 | 51.2° | 73.3° |
| F2 | B1 | N1 | N6 | 121.3° | 119.9° |
| F2 | B1 | N1 | C6 | 134.5° | 106.6° |
| F2 | B1 | N6 | C11 | 49.6° | 73.3° |
| F2 | B1 | N6 | C8 | 131.6° | 106.3° |
| C4 | N1 | B1 | C6 | 174.4° | 179.9° |
| C4 | N1 | B1 | N6 | 172.5° | 166.8° |
| N1 | C4 | C3 | C2 | 8.5° | 0.1° |
| C4 | N1 | C6 | C2 | 5.4° | 0.1° |
| C4 | N1 | C6 | C7 | 178.0° | 179.8° |
| N1 | C4 | C3 | H4 | 171.5° | 179.9° |
| N1 | C4 | C5 | H5 | 90.0° | 89.9° |
| N1 | C4 | C5 | H6 | 150.1° | 150.0° |
| N1 | C4 | C5 | H7 | 30.1° | 30.0° |
| C3 | C4 | N1 | B1 | 176.9° | 180.0° |
| C3 | C4 | N1 | C6 | 1.9° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C6 | 11.8° | 0.0° |
| C4 | C3 | C2 | C1 | 167.0° | 179.7° |
| C3 | C4 | C5 | H5 | 90.0° | 90.1° |
| C3 | C4 | C5 | H6 | 30.0° | 30.0° |
| C3 | C4 | C5 | H7 | 150.0° | 150.1° |
| O1 | C14 | C13 | C12 | 41.1° | 0.0° |
| O1 | C14 | C13 | N2 | 179.4° | 179.9° |
| O1 | C14 | N2 | C15 | 24.3° | 0.0° |
| O1 | C14 | C13 | H13 | 79.9° | 119.9° |
| O1 | C14 | C13 | H14 | 162.1° | 120.0° |
| O1 | C14 | N2 | H15 | 155.7° | 180.0° |
| N1 | B1 | N6 | C11 | 170.8° | 166.9° |
| N1 | B1 | N6 | C8 | 10.4° | 13.5° |
| B1 | N1 | C6 | C2 | 169.9° | 180.0° |
| B1 | N1 | C6 | C7 | 6.7° | 0.1° |
| B1 | N6 | C11 | C12 | 0.4° | 0.3° |
| N6 | B1 | N1 | C6 | 13.2° | 13.3° |
| B1 | N6 | C11 | C8 | 179.0° | 179.7° |
| B1 | N6 | C11 | C10 | 179.5° | 179.7° |
| B1 | N6 | C8 | C7 | 1.3° | 0.4° |
| B1 | N6 | C8 | C9 | 179.2° | 179.7° |
| C13 | C12 | C11 | H12 | 120.6° | 120.0° |
| C13 | C12 | C11 | H11 | 120.6° | 120.0° |
| C12 | C13 | C14 | H13 | 121.0° | 120.0° |
| C12 | C13 | C14 | H14 | 121.0° | 120.0° |
| C12 | C13 | C14 | N2 | 139.5° | 180.0° |
| C13 | C12 | C11 | N6 | 161.2° | 95.1° |
| C13 | C12 | C11 | C10 | 17.8° | 85.0° |
| C13 | C12 | H12 | H11 | 118.1° | 120.0° |
| C12 | C13 | H13 | H14 | 116.9° | 120.0° |
| C11 | C12 | C13 | C14 | 60.3° | 180.0° |
| C12 | C11 | N6 | C10 | 179.2° | 179.9° |
| C12 | C11 | N6 | C8 | 178.6° | 179.9° |
| C12 | C11 | C10 | C9 | 178.4° | 180.0° |
| C12 | C11 | C10 | H10 | 1.6° | 0.1° |
| C11 | C12 | H12 | H11 | 118.2° | 120.1° |
| C11 | C12 | C13 | H13 | 178.7° | 60.0° |
| C11 | C12 | C13 | H14 | 60.7° | 60.0° |
| N1 | C6 | C2 | C3 | 10.7° | 0.0° |
| N1 | C6 | C2 | C7 | 176.1° | 179.8° |
| N1 | C6 | C2 | C1 | 168.1° | 179.8° |
| N1 | C6 | C7 | C8 | 4.7° | 13.4° |
| N1 | C6 | C7 | H8 | 126.4° | 106.3° |
| N1 | C6 | C7 | H20 | 116.9° | 133.2° |
| C3 | C2 | C6 | C1 | 178.8° | 179.7° |
| C3 | C2 | C6 | C7 | 173.2° | 179.8° |
| C3 | C2 | C1 | H3 | 89.3° | 89.7° |
| C3 | C2 | C1 | H1 | 150.7° | 30.3° |
| C3 | C2 | C1 | H2 | 30.7° | 150.3° |
| C13 | C14 | N2 | C15 | 155.1° | 180.0° |
| C14 | C13 | C12 | H12 | 179.1° | 60.0° |
| C14 | C13 | C12 | H11 | 60.3° | 60.0° |
| C14 | C13 | H13 | H14 | 116.9° | 120.0° |
| C13 | C14 | N2 | H15 | 24.9° | 0.0° |
| C14 | N2 | C15 | C16 | 112.6° | 180.0° |
| C14 | N2 | C15 | H15 | 180.0° | 180.0° |
| N2 | C14 | C13 | H13 | 99.5° | 60.0° |
| N2 | C14 | C13 | H14 | 18.5° | 60.1° |
| C14 | N2 | C15 | H17 | 7.9° | 60.0° |
| C14 | N2 | C15 | H16 | 126.9° | 60.0° |
| C11 | N6 | C8 | C7 | 179.7° | 180.0° |
| C11 | N6 | C8 | C9 | 0.1° | 0.1° |
| N6 | C11 | C10 | C9 | 0.8° | 0.0° |
| N6 | C11 | C10 | H10 | 179.3° | 179.9° |
| N6 | C11 | C12 | H12 | 78.2° | 24.9° |
| N6 | C11 | C12 | H11 | 40.6° | 145.0° |
| C8 | N6 | C11 | C10 | 0.5° | 0.0° |
| N6 | C8 | C7 | C6 | 7.4° | 13.1° |
| N6 | C8 | C7 | C9 | 179.5° | 179.9° |
| N6 | C8 | C9 | C10 | 0.3° | 0.1° |
| N6 | C8 | C7 | H8 | 129.1° | 106.6° |
| N6 | C8 | C7 | H20 | 114.3° | 132.9° |
| N6 | C8 | C9 | H9 | 179.6° | 180.0° |
| C11 | C10 | C9 | C8 | 0.7° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | H9 | 179.3° | 180.0° |
| C10 | C11 | C12 | H12 | 102.8° | 155.0° |
| C10 | C11 | C12 | H11 | 138.4° | 35.0° |
| C16 | C15 | N2 | H17 | 120.5° | 120.0° |
| C16 | C15 | N2 | H16 | 120.5° | 120.0° |
| C16 | C15 | N2 | H15 | 67.4° | 0.0° |
| C16 | C15 | H17 | H16 | 118.4° | 120.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H21 | 120.0° | 120.0° |
| C15 | C16 | H19 | H21 | 120.0° | 120.0° |
| C2 | C6 | C7 | C8 | 179.6° | 166.8° |
| C6 | C2 | C1 | H3 | 89.3° | 90.0° |
| C6 | C2 | C1 | H1 | 30.7° | 150.0° |
| C6 | C2 | C1 | H2 | 150.7° | 30.0° |
| C6 | C2 | C3 | H4 | 168.2° | 179.9° |
| C2 | C6 | C7 | H8 | 58.0° | 73.5° |
| C2 | C6 | C7 | H20 | 58.7° | 47.0° |
| C1 | C2 | C6 | C7 | 8.0° | 0.1° |
| C2 | C1 | H3 | H1 | 120.0° | 119.9° |
| C2 | C1 | H3 | H2 | 120.0° | 120.1° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 13.0° | 0.3° |
| N2 | C15 | H17 | H16 | 118.5° | 120.1° |
| N2 | C15 | C16 | H18 | 180.0° | 59.9° |
| N2 | C15 | C16 | H19 | 60.0° | 180.0° |
| N2 | C15 | C16 | H21 | 60.0° | 60.0° |
| C6 | C7 | C8 | H8 | 121.7° | 119.7° |
| C6 | C7 | C8 | H20 | 121.7° | 119.8° |
| C6 | C7 | C8 | C9 | 172.1° | 166.8° |
| C6 | C7 | H8 | H20 | 114.6° | 120.4° |
| C7 | C8 | C9 | C10 | 179.2° | 180.0° |
| C8 | C7 | H8 | H20 | 114.5° | 120.6° |
| C7 | C8 | C9 | H9 | 0.8° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | H8 | 50.4° | 73.5° |
| C9 | C8 | C7 | H20 | 66.3° | 47.0° |
| C8 | C9 | C10 | H10 | 179.4° | 180.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H5 | C5 | H6 | H7 | 120.0° | 120.0° |
| H9 | C9 | C10 | H10 | 0.7° | 0.1° |
| H12 | C12 | C13 | H13 | 58.1° | NaN° |
| H12 | C12 | C13 | H14 | 59.9° | 60.0° |
| H11 | C12 | C13 | H13 | 60.7° | 60.0° |
| H11 | C12 | C13 | H14 | 178.7° | 180.0° |
| H15 | N2 | C15 | H17 | 172.1° | 120.0° |
| H15 | N2 | C15 | H16 | 53.1° | 120.0° |
| H17 | C15 | C16 | H18 | 59.5° | 60.0° |
| H17 | C15 | C16 | H19 | 60.5° | 60.0° |
| H17 | C15 | C16 | H21 | 179.5° | 180.0° |
| H16 | C15 | C16 | H18 | 59.5° | 180.0° |
| H16 | C15 | C16 | H19 | 179.5° | 60.0° |
| H16 | C15 | C16 | H21 | 60.5° | 60.0° |
| H18 | C16 | H19 | H21 | 120.0° | 119.9° |
