NT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C6 | N1 | sing | 1.40Å | 1.43Å | |
| N1 | C7 | sing | 1.35Å | 1.35Å | |
| C7 | O1 | doub | 1.21Å | 1.22Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | N2 | sing | 1.47Å | 1.46Å | |
| O2 | C11 | sing | 1.43Å | 1.42Å | |
| O2 | C10 | sing | 1.43Å | 1.42Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.2° | 119.9° |
| C1 | C2 | C13 | 121.7° | 120.0° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C2 | C1 | H10 | 109.4° | 109.4° |
| C2 | C3 | C4 | 121.2° | 120.1° |
| C3 | C2 | C13 | 119.1° | 120.1° |
| C2 | C3 | H18 | 119.4° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C3 | C4 | H2 | 119.9° | 120.0° |
| C4 | C3 | H18 | 119.5° | 119.9° |
| C2 | C13 | C6 | 119.4° | 119.9° |
| C2 | C13 | C14 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C5 | C4 | H2 | 119.9° | 120.0° |
| C4 | C5 | H3 | 119.9° | 120.0° |
| C5 | C6 | C13 | 120.0° | 119.9° |
| C5 | C6 | N1 | 120.3° | 120.0° |
| C6 | C5 | H3 | 119.9° | 120.1° |
| C6 | C13 | C14 | 120.8° | 120.0° |
| C13 | C6 | N1 | 119.7° | 120.1° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C13 | C14 | H16 | 109.5° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C6 | N1 | C7 | 129.6° | 120.0° |
| C6 | N1 | H1 | 115.2° | 120.0° |
| N1 | C7 | O1 | 123.0° | 120.0° |
| N1 | C7 | C8 | 117.1° | 120.0° |
| C7 | N1 | H1 | 115.2° | 120.0° |
| O1 | C7 | C8 | 119.8° | 120.0° |
| C7 | C8 | N2 | 118.4° | 109.4° |
| C7 | C8 | H4 | 107.2° | 109.5° |
| C7 | C8 | H5 | 107.2° | 109.5° |
| C11 | C12 | N2 | 108.8° | 109.2° |
| C12 | C11 | O2 | 111.3° | 109.3° |
| C12 | C11 | H11 | 109.0° | 109.5° |
| C12 | C11 | H12 | 109.0° | 109.5° |
| C11 | C12 | H13 | 109.6° | 109.5° |
| C11 | C12 | H14 | 109.6° | 109.5° |
| C12 | N2 | C9 | 109.1° | 110.7° |
| C12 | N2 | C8 | 113.3° | 111.0° |
| N2 | C12 | H13 | 109.7° | 109.5° |
| N2 | C12 | H14 | 109.7° | 109.5° |
| C11 | O2 | C10 | 110.9° | 113.7° |
| O2 | C11 | H11 | 109.0° | 109.5° |
| O2 | C11 | H12 | 109.0° | 109.5° |
| O2 | C10 | C9 | 112.7° | 109.3° |
| O2 | C10 | H6 | 108.6° | 109.5° |
| O2 | C10 | H7 | 108.6° | 109.5° |
| N2 | C9 | C10 | 109.8° | 109.3° |
| C9 | N2 | C8 | 115.5° | 111.0° |
| N2 | C9 | H19 | 109.4° | 109.5° |
| N2 | C9 | H20 | 109.4° | 109.5° |
| C9 | C10 | H6 | 108.7° | 109.5° |
| C9 | C10 | H7 | 108.7° | 109.5° |
| C10 | C9 | H19 | 109.4° | 109.5° |
| C10 | C9 | H20 | 109.4° | 109.5° |
| N2 | C8 | H4 | 107.2° | 109.4° |
| N2 | C8 | H5 | 107.2° | 109.5° |
| H4 | C8 | H5 | 109.5° | 109.4° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.4° | 109.5° |
| H8 | C1 | H10 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.6° |
| H15 | C14 | H16 | 109.4° | 109.4° |
| H15 | C14 | H17 | 109.4° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H19 | C9 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C13 | 179.9° | 179.7° |
| C1 | C2 | C3 | C4 | 179.8° | 179.8° |
| C1 | C2 | C13 | C6 | 179.1° | 180.0° |
| C1 | C2 | C13 | C14 | 0.1° | 0.1° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H10 | 120.0° | 120.0° |
| C2 | C1 | H9 | H10 | 120.0° | 120.0° |
| C1 | C2 | C3 | H18 | 0.2° | 0.0° |
| C2 | C3 | C4 | H18 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 0.5° | 0.5° |
| C3 | C2 | C13 | C6 | 1.0° | 0.3° |
| C3 | C2 | C13 | C14 | 180.0° | 179.8° |
| C2 | C3 | C4 | H2 | 179.5° | 179.8° |
| C3 | C2 | C1 | H8 | 90.1° | 89.7° |
| C3 | C2 | C1 | H9 | 149.9° | 30.3° |
| C3 | C2 | C1 | H10 | 29.9° | 150.3° |
| C4 | C3 | C2 | C13 | 0.1° | 0.5° |
| C3 | C4 | C5 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | H3 | 179.8° | 179.7° |
| C2 | C13 | C6 | C5 | 1.8° | 0.0° |
| C2 | C13 | C6 | C14 | 179.0° | 179.9° |
| C2 | C13 | C6 | N1 | 178.7° | 179.9° |
| C13 | C2 | C1 | H8 | 90.0° | 90.0° |
| C13 | C2 | C1 | H9 | 30.0° | 150.0° |
| C13 | C2 | C1 | H10 | 149.9° | 30.0° |
| C2 | C13 | C14 | H15 | 89.5° | 90.0° |
| C2 | C13 | C14 | H16 | 150.5° | 29.9° |
| C2 | C13 | C14 | H17 | 30.5° | 150.0° |
| C13 | C2 | C3 | H18 | 179.9° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C13 | 1.4° | 0.0° |
| C4 | C5 | C6 | N1 | 178.3° | 179.9° |
| C5 | C4 | C3 | H18 | 179.5° | 179.7° |
| C5 | C6 | C13 | N1 | 177.0° | 179.9° |
| C5 | C6 | C13 | C14 | 179.3° | 180.0° |
| C5 | C6 | N1 | C7 | 108.6° | 24.8° |
| C5 | C6 | N1 | H1 | 71.4° | 154.9° |
| C6 | C5 | C4 | H2 | 179.8° | 180.0° |
| C13 | C6 | N1 | C7 | 74.5° | 155.1° |
| C13 | C6 | N1 | H1 | 105.6° | 25.1° |
| C13 | C6 | C5 | H3 | 178.7° | 180.0° |
| C6 | C13 | C14 | H15 | 89.5° | 90.1° |
| C6 | C13 | C14 | H16 | 30.5° | 150.0° |
| C6 | C13 | C14 | H17 | 150.5° | 30.0° |
| C14 | C13 | C6 | N1 | 2.3° | 0.0° |
| C13 | C14 | H15 | H16 | 120.0° | 120.0° |
| C13 | C14 | H15 | H17 | 120.0° | 120.0° |
| C13 | C14 | H16 | H17 | 120.0° | 120.0° |
| C6 | N1 | C7 | H1 | 180.0° | 179.7° |
| C6 | N1 | C7 | O1 | 15.3° | 5.7° |
| C6 | N1 | C7 | C8 | 159.7° | 174.4° |
| N1 | C6 | C5 | H3 | 1.7° | 0.1° |
| N1 | C7 | O1 | C8 | 174.9° | 179.9° |
| N1 | C7 | C8 | N2 | 54.6° | 180.0° |
| N1 | C7 | C8 | H4 | 66.7° | 60.1° |
| N1 | C7 | C8 | H5 | 175.9° | 59.9° |
| O1 | C7 | C8 | N2 | 130.2° | 0.1° |
| O1 | C7 | N1 | H1 | 164.6° | 174.6° |
| O1 | C7 | C8 | H4 | 108.5° | 120.0° |
| O1 | C7 | C8 | H5 | 8.9° | 120.0° |
| C7 | C8 | N2 | C12 | 95.3° | 170.1° |
| C7 | C8 | N2 | C9 | 31.7° | 66.3° |
| C7 | C8 | N2 | H4 | 121.3° | 120.0° |
| C7 | C8 | N2 | H5 | 121.3° | 120.1° |
| C8 | C7 | N1 | H1 | 20.3° | 5.3° |
| C7 | C8 | H4 | H5 | 115.9° | 120.1° |
| C11 | C12 | N2 | H13 | 119.9° | 119.9° |
| C11 | C12 | N2 | H14 | 119.9° | 119.9° |
| C12 | C11 | O2 | H11 | 120.3° | 119.9° |
| C12 | C11 | O2 | H12 | 120.3° | 120.0° |
| C12 | C11 | O2 | C10 | 56.9° | 58.6° |
| C11 | C12 | N2 | C9 | 60.3° | 58.6° |
| C11 | C12 | N2 | C8 | 169.4° | 177.6° |
| C12 | C11 | H11 | H12 | 119.2° | 120.1° |
| C11 | C12 | H13 | H14 | 120.3° | 120.1° |
| N2 | C12 | C11 | O2 | 60.5° | 56.9° |
| C12 | N2 | C9 | C8 | 129.1° | 123.7° |
| C12 | N2 | C9 | C10 | 57.6° | 58.7° |
| C12 | N2 | C8 | H4 | 26.0° | 70.0° |
| C12 | N2 | C8 | H5 | 143.4° | 50.0° |
| N2 | C12 | C11 | H11 | 179.3° | 176.8° |
| N2 | C12 | C11 | H12 | 59.8° | 63.2° |
| N2 | C12 | H13 | H14 | 120.3° | 120.2° |
| C12 | N2 | C9 | H19 | 177.6° | 61.3° |
| C12 | N2 | C9 | H20 | 62.5° | 178.6° |
| C11 | O2 | C10 | C9 | 54.3° | 58.7° |
| C11 | O2 | C10 | H6 | 174.9° | 61.3° |
| C11 | O2 | C10 | H7 | 66.1° | 178.6° |
| O2 | C11 | H11 | H12 | 119.2° | 120.1° |
| O2 | C11 | C12 | H13 | 179.6° | 176.8° |
| O2 | C11 | C12 | H14 | 59.4° | 63.1° |
| O2 | C10 | C9 | N2 | 54.9° | 56.9° |
| O2 | C10 | C9 | H6 | 120.5° | 120.0° |
| O2 | C10 | C9 | H7 | 120.5° | 119.9° |
| O2 | C10 | H6 | H7 | 118.5° | 120.0° |
| C10 | O2 | C11 | H11 | 177.2° | 178.5° |
| C10 | O2 | C11 | H12 | 63.3° | 61.4° |
| O2 | C10 | C9 | H19 | 175.0° | 63.0° |
| O2 | C10 | C9 | H20 | 65.1° | 176.8° |
| N2 | C9 | C10 | H19 | 120.1° | 119.9° |
| N2 | C9 | C10 | H20 | 120.0° | 119.9° |
| C9 | N2 | C8 | H4 | 152.9° | 53.6° |
| C9 | N2 | C8 | H5 | 89.6° | 173.6° |
| N2 | C9 | C10 | H6 | 175.4° | 63.1° |
| N2 | C9 | C10 | H7 | 65.5° | 176.8° |
| C9 | N2 | C12 | H13 | 179.7° | 178.5° |
| C9 | N2 | C12 | H14 | 59.6° | 61.3° |
| N2 | C9 | H19 | H20 | 119.8° | 120.1° |
| C10 | C9 | N2 | C8 | 173.4° | 177.6° |
| C9 | C10 | H6 | H7 | 118.5° | 120.1° |
| C10 | C9 | H19 | H20 | 119.9° | 120.1° |
| N2 | C8 | H4 | H5 | 115.9° | 120.0° |
| C8 | N2 | C12 | H13 | 49.5° | 57.7° |
| C8 | N2 | C12 | H14 | 70.7° | 62.5° |
| C8 | N2 | C9 | H19 | 53.3° | 62.4° |
| C8 | N2 | C9 | H20 | 66.6° | 57.7° |
| H2 | C4 | C5 | H3 | 0.2° | 0.0° |
| H2 | C4 | C3 | H18 | 0.5° | 0.0° |
| H6 | C10 | C9 | H19 | 64.5° | 177.0° |
| H6 | C10 | C9 | H20 | 55.4° | 56.8° |
| H7 | C10 | C9 | H19 | 54.5° | 56.9° |
| H7 | C10 | C9 | H20 | 174.4° | 63.3° |
| H8 | C1 | H9 | H10 | 120.0° | 120.1° |
| H11 | C11 | C12 | H13 | 59.3° | 63.3° |
| H11 | C11 | C12 | H14 | 60.8° | 56.9° |
| H12 | C11 | C12 | H13 | 60.2° | 56.7° |
| H12 | C11 | C12 | H14 | 179.7° | 176.9° |
| H15 | C14 | H16 | H17 | 120.0° | 120.0° |
