RW7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | N2 | sing | 1.46Å | 1.46Å | |
| C9 | C14 | sing | 1.50Å | 1.54Å | |
| N2 | C1 | sing | 1.34Å | 1.34Å | |
| C1 | C2 | sing | 1.47Å | 1.50Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C14 | N1 | sing | 1.33Å | 1.36Å | |
| C14 | O2 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N1 | sing | 1.38Å | 1.41Å | |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 113.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.5° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C12 | C13 | H13 | 109.5° | 109.5° |
| C13 | C12 | H16 | 108.4° | 109.4° |
| C13 | C12 | H17 | 108.5° | 109.5° |
| C12 | C11 | C9 | 115.3° | 109.5° |
| C12 | C11 | H14 | 108.0° | 109.5° |
| C12 | C11 | H15 | 108.0° | 109.5° |
| C11 | C12 | H16 | 108.4° | 109.5° |
| C11 | C12 | H17 | 108.5° | 109.5° |
| C11 | C9 | C10 | 90.5° | 109.5° |
| C11 | C9 | N2 | 118.8° | 109.7° |
| C11 | C9 | C14 | 123.0° | 109.6° |
| C9 | C11 | H14 | 108.0° | 109.4° |
| C9 | C11 | H15 | 108.0° | 109.5° |
| C8 | N2 | C9 | 121.1° | 119.3° |
| C8 | N2 | C1 | 119.7° | 119.4° |
| N2 | C8 | H5 | 109.5° | 109.5° |
| N2 | C8 | H6 | 109.5° | 109.5° |
| N2 | C8 | H7 | 109.5° | 109.4° |
| C10 | C9 | N2 | 98.1° | 109.6° |
| C10 | C9 | C14 | 99.4° | 109.6° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.5° |
| N2 | C9 | C14 | 115.1° | 108.9° |
| C9 | N2 | C1 | 119.2° | 121.4° |
| C9 | C14 | N1 | 116.0° | 121.9° |
| C9 | C14 | O2 | 121.2° | 119.1° |
| N2 | C1 | C2 | 118.6° | 124.3° |
| N2 | C1 | O1 | 122.3° | 117.8° |
| C2 | C1 | O1 | 119.1° | 117.8° |
| C1 | C2 | C3 | 118.1° | 117.5° |
| C1 | C2 | C7 | 123.4° | 123.2° |
| N1 | C14 | O2 | 122.8° | 119.0° |
| C14 | N1 | C7 | 129.7° | 125.6° |
| C14 | N1 | H1 | 115.1° | 117.1° |
| C2 | C3 | C4 | 121.5° | 120.5° |
| C3 | C2 | C7 | 118.6° | 119.3° |
| C2 | C3 | H18 | 119.3° | 119.8° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H2 | 120.1° | 120.0° |
| C4 | C3 | H18 | 119.3° | 119.7° |
| C2 | C7 | N1 | 120.3° | 123.4° |
| C2 | C7 | C6 | 119.4° | 119.3° |
| C4 | C5 | C6 | 120.2° | 120.2° |
| C5 | C4 | H2 | 120.1° | 120.0° |
| C4 | C5 | H3 | 119.9° | 119.9° |
| N1 | C7 | C6 | 120.3° | 117.2° |
| C7 | N1 | H1 | 115.2° | 117.3° |
| C7 | C6 | C5 | 120.5° | 120.7° |
| C7 | C6 | H4 | 119.8° | 119.7° |
| C6 | C5 | H3 | 119.9° | 119.9° |
| C5 | C6 | H4 | 119.7° | 119.7° |
| H5 | C8 | H6 | 109.4° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C10 | H9 | 109.5° | 109.4° |
| H8 | C10 | H10 | 109.4° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H13 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.4° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H16 | 120.6° | 120.0° |
| C13 | C12 | C11 | H17 | 120.6° | 120.0° |
| C13 | C12 | C11 | C9 | 169.2° | 180.0° |
| C12 | C13 | H11 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H13 | 120.0° | 120.0° |
| C12 | C13 | H12 | H13 | 120.0° | 120.0° |
| C13 | C12 | C11 | H14 | 69.9° | 60.0° |
| C13 | C12 | C11 | H15 | 48.3° | 60.0° |
| C13 | C12 | H16 | H17 | 118.2° | 120.0° |
| C12 | C11 | C9 | H14 | 120.9° | 120.0° |
| C12 | C11 | C9 | H15 | 120.9° | 120.0° |
| C12 | C11 | C9 | C10 | 151.4° | 60.0° |
| C12 | C11 | C9 | N2 | 51.8° | 179.7° |
| C12 | C11 | C9 | C14 | 107.1° | 60.2° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | H12 | 60.0° | 60.0° |
| C11 | C12 | C13 | H13 | 60.0° | 60.0° |
| C12 | C11 | H14 | H15 | 117.3° | 120.0° |
| C11 | C12 | H16 | H17 | 118.2° | 120.0° |
| C11 | C9 | N2 | C8 | 42.7° | 123.1° |
| C11 | C9 | C10 | N2 | 119.2° | 120.4° |
| C11 | C9 | C10 | C14 | 123.6° | 120.2° |
| C11 | C9 | N2 | C14 | 160.5° | 119.9° |
| C11 | C9 | N2 | C1 | 139.5° | 56.8° |
| C11 | C9 | C14 | N1 | 88.0° | 56.3° |
| C11 | C9 | C14 | O2 | 91.5° | 123.6° |
| C11 | C9 | C10 | H8 | 180.0° | 60.1° |
| C11 | C9 | C10 | H9 | 60.0° | 179.9° |
| C11 | C9 | C10 | H10 | 60.0° | 60.0° |
| C9 | C11 | H14 | H15 | 117.3° | 120.0° |
| C9 | C11 | C12 | H16 | 48.6° | 60.1° |
| C9 | C11 | C12 | H17 | 70.2° | 60.0° |
| C8 | N2 | C9 | C10 | 52.5° | 2.8° |
| C8 | N2 | C9 | C1 | 177.8° | 179.9° |
| C8 | N2 | C9 | C14 | 156.8° | 117.0° |
| C8 | N2 | C1 | C2 | 129.0° | 179.3° |
| C8 | N2 | C1 | O1 | 48.9° | 0.7° |
| N2 | C8 | H5 | H6 | 120.0° | 120.0° |
| N2 | C8 | H5 | H7 | 120.0° | 120.0° |
| N2 | C8 | H6 | H7 | 120.0° | 120.0° |
| C10 | C9 | N2 | C14 | 104.4° | 119.8° |
| C10 | C9 | N2 | C1 | 125.4° | 177.1° |
| C10 | C9 | C14 | N1 | 175.2° | 176.5° |
| C10 | C9 | C14 | O2 | 5.2° | 3.4° |
| C9 | C10 | H8 | H9 | 120.0° | 120.0° |
| C9 | C10 | H8 | H10 | 120.0° | 120.1° |
| C9 | C10 | H9 | H10 | 120.0° | 120.1° |
| C10 | C9 | C11 | H14 | 30.5° | 180.0° |
| C10 | C9 | C11 | H15 | 87.8° | 60.0° |
| C9 | N2 | C1 | C2 | 53.1° | 0.6° |
| C9 | N2 | C1 | O1 | 129.0° | 179.4° |
| N2 | C9 | C14 | N1 | 71.5° | 63.7° |
| N2 | C9 | C14 | O2 | 108.9° | 116.4° |
| C9 | N2 | C8 | H5 | 180.0° | 90.0° |
| C9 | N2 | C8 | H6 | 60.0° | 150.0° |
| C9 | N2 | C8 | H7 | 60.0° | 30.0° |
| N2 | C9 | C10 | H8 | 60.8° | 179.6° |
| N2 | C9 | C10 | H9 | 59.2° | 59.7° |
| N2 | C9 | C10 | H10 | 179.2° | 60.3° |
| N2 | C9 | C11 | H14 | 69.1° | 59.7° |
| N2 | C9 | C11 | H15 | 172.7° | 60.3° |
| C14 | C9 | N2 | C1 | 21.0° | 63.1° |
| C9 | C14 | N1 | O2 | 179.6° | 179.9° |
| C9 | C14 | N1 | C7 | 34.6° | 2.7° |
| C9 | C14 | N1 | H1 | 145.4° | 177.5° |
| C14 | C9 | C10 | H8 | 56.4° | 60.2° |
| C14 | C9 | C10 | H9 | 176.4° | 59.7° |
| C14 | C9 | C10 | H10 | 63.6° | 179.7° |
| C14 | C9 | C11 | H14 | 132.0° | 59.8° |
| C14 | C9 | C11 | H15 | 13.8° | 179.8° |
| N2 | C1 | C2 | O1 | 177.9° | 180.0° |
| N2 | C1 | C2 | C3 | 119.1° | 139.9° |
| N2 | C1 | C2 | C7 | 61.1° | 40.1° |
| C1 | N2 | C8 | H5 | 2.2° | 90.1° |
| C1 | N2 | C8 | H6 | 122.2° | 29.9° |
| C1 | N2 | C8 | H7 | 117.8° | 149.9° |
| C1 | C2 | C3 | C7 | 179.8° | 180.0° |
| C1 | C2 | C3 | C4 | 179.8° | 179.7° |
| C1 | C2 | C7 | N1 | 0.2° | 0.5° |
| C1 | C2 | C7 | C6 | 179.8° | 179.5° |
| C1 | C2 | C3 | H18 | 0.2° | 0.2° |
| O1 | C1 | C2 | C3 | 58.8° | 40.1° |
| O1 | C1 | C2 | C7 | 120.9° | 140.0° |
| C14 | N1 | C7 | C2 | 16.3° | 41.2° |
| C14 | N1 | C7 | H1 | 180.0° | 179.7° |
| C14 | N1 | C7 | C6 | 163.7° | 138.9° |
| O2 | C14 | N1 | C7 | 145.8° | 177.2° |
| O2 | C14 | N1 | H1 | 34.2° | 2.6° |
| C2 | C3 | C4 | H18 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.5° | 0.0° |
| C3 | C2 | C7 | N1 | 179.9° | 179.5° |
| C3 | C2 | C7 | C6 | 0.1° | 0.5° |
| C2 | C3 | C4 | H2 | 179.5° | 179.9° |
| C4 | C3 | C2 | C7 | 0.4° | 0.3° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | C5 | H3 | 179.8° | 179.8° |
| C2 | C7 | N1 | C6 | 180.0° | 180.0° |
| C2 | C7 | C6 | C5 | 0.3° | 0.3° |
| C2 | C7 | N1 | H1 | 163.7° | 139.1° |
| C2 | C7 | C6 | H4 | 179.8° | 179.7° |
| C7 | C2 | C3 | H18 | 179.5° | 179.8° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C5 | C4 | C3 | H18 | 179.5° | 179.9° |
| N1 | C7 | C6 | C5 | 179.8° | 179.6° |
| N1 | C7 | C6 | H4 | 0.2° | 0.3° |
| C7 | C6 | C5 | H4 | 180.0° | 179.9° |
| C6 | C7 | N1 | H1 | 16.3° | 40.9° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C6 | C5 | C4 | H2 | 179.8° | 179.8° |
| H2 | C4 | C5 | H3 | 0.2° | 0.2° |
| H2 | C4 | C3 | H18 | 0.6° | 0.1° |
| H3 | C5 | C6 | H4 | 0.2° | 0.1° |
| H5 | C8 | H6 | H7 | 120.0° | 120.0° |
| H8 | C10 | H9 | H10 | 119.9° | 120.0° |
| H11 | C13 | H12 | H13 | 120.0° | 120.0° |
| H11 | C13 | C12 | H16 | 59.4° | 60.0° |
| H11 | C13 | C12 | H17 | 59.4° | 60.0° |
| H12 | C13 | C12 | H16 | 60.6° | 60.0° |
| H12 | C13 | C12 | H17 | 179.4° | 180.0° |
| H13 | C13 | C12 | H16 | 179.4° | 180.0° |
| H13 | C13 | C12 | H17 | 60.6° | 60.0° |
| H14 | C11 | C12 | H16 | 169.5° | 180.0° |
| H14 | C11 | C12 | H17 | 50.7° | 60.0° |
| H15 | C11 | C12 | H16 | 72.3° | 60.0° |
| H15 | C11 | C12 | H17 | 168.9° | 180.0° |
