V7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C7 | sing | 1.55Å | 1.50Å | |
| C6 | C5 | sing | 1.55Å | 1.50Å | |
| C7 | C8 | sing | 1.54Å | 1.51Å | |
| C5 | N1 | sing | 1.49Å | 1.44Å | |
| C8 | N1 | sing | 1.48Å | 1.46Å | |
| N1 | C3 | sing | 1.39Å | 1.38Å | |
| C3 | N | doub | 1.32Å | 1.32Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.32Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.53Å | |
| N | C4 | sing | 1.32Å | 1.31Å | Aromatic |
| C9 | C2 | sing | 1.51Å | 1.47Å | |
| C2 | C1 | doub | 1.38Å | 1.34Å | Aromatic |
| C4 | C | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.39Å | 1.34Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 1.01Å | 1.00Å | |
| N2 | H6 | sing | 1.01Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| C | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | C5 | 102.4° | 102.9° |
| C6 | C7 | C8 | 104.0° | 105.1° |
| C6 | C7 | H1 | 110.8° | 110.3° |
| C6 | C7 | H2 | 110.8° | 110.4° |
| C7 | C6 | H13 | 111.2° | 110.7° |
| C7 | C6 | H14 | 111.2° | 110.8° |
| C6 | C5 | N1 | 101.5° | 103.2° |
| C6 | C5 | H11 | 111.4° | 110.6° |
| C6 | C5 | H12 | 111.4° | 110.8° |
| C5 | C6 | H13 | 111.2° | 110.8° |
| C5 | C6 | H14 | 111.2° | 110.7° |
| C7 | C8 | N1 | 104.6° | 107.1° |
| C8 | C7 | H1 | 110.8° | 110.4° |
| C8 | C7 | H2 | 110.8° | 110.3° |
| C7 | C8 | H3 | 110.7° | 109.9° |
| C7 | C8 | H4 | 110.7° | 109.9° |
| C5 | N1 | C8 | 109.0° | 105.8° |
| C5 | N1 | C3 | 119.9° | 111.0° |
| N1 | C5 | H11 | 111.4° | 110.7° |
| N1 | C5 | H12 | 111.4° | 110.6° |
| C8 | N1 | C3 | 113.5° | 111.0° |
| N1 | C8 | H3 | 110.7° | 110.0° |
| N1 | C8 | H4 | 110.7° | 109.9° |
| N1 | C3 | N | 122.5° | 119.7° |
| N1 | C3 | C2 | 113.7° | 119.7° |
| N | C3 | C2 | 123.4° | 120.6° |
| C3 | N | C4 | 117.4° | 121.6° |
| C3 | C2 | C9 | 120.0° | 120.5° |
| C3 | C2 | C1 | 118.6° | 119.1° |
| N2 | C9 | C2 | 103.3° | 109.5° |
| C9 | N2 | H5 | 109.5° | 111.0° |
| C9 | N2 | H6 | 109.5° | 111.0° |
| N2 | C9 | H8 | 111.0° | 109.4° |
| N2 | C9 | H9 | 111.0° | 109.5° |
| N | C4 | C | 122.9° | 120.9° |
| N | C4 | H15 | 118.5° | 119.5° |
| C9 | C2 | C1 | 121.3° | 120.4° |
| C2 | C9 | H8 | 111.0° | 109.5° |
| C2 | C9 | H9 | 111.0° | 109.5° |
| C2 | C1 | C | 120.4° | 118.5° |
| C2 | C1 | H10 | 119.8° | 120.8° |
| C4 | C | C1 | 117.2° | 119.3° |
| C | C4 | H15 | 118.5° | 119.6° |
| C4 | C | H16 | 121.4° | 120.4° |
| C | C1 | H10 | 119.8° | 120.7° |
| C1 | C | H16 | 121.4° | 120.3° |
| H1 | C7 | H2 | 109.5° | 110.3° |
| H3 | C8 | H4 | 109.4° | 110.1° |
| H5 | N2 | H6 | 109.4° | 111.0° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H11 | C5 | H12 | 109.5° | 110.6° |
| H13 | C6 | H14 | 109.4° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | C5 | H13 | 118.9° | 118.3° |
| C7 | C6 | C5 | H14 | 118.9° | 118.4° |
| C6 | C7 | C8 | H1 | 119.1° | 118.9° |
| C6 | C7 | C8 | H2 | 119.1° | 119.0° |
| C7 | C6 | C5 | N1 | 42.8° | 37.4° |
| C6 | C7 | C8 | N1 | 14.0° | 1.2° |
| C6 | C7 | H1 | H2 | 122.5° | 122.2° |
| C6 | C7 | C8 | H3 | 105.3° | 118.2° |
| C6 | C7 | C8 | H4 | 133.2° | 120.6° |
| C7 | C6 | C5 | H11 | 75.9° | 155.9° |
| C7 | C6 | C5 | H12 | 161.5° | 81.1° |
| C7 | C6 | H13 | H14 | 123.3° | 123.3° |
| C5 | C6 | C7 | C8 | 35.0° | 22.0° |
| C6 | C5 | N1 | H11 | 118.7° | 118.4° |
| C6 | C5 | N1 | H12 | 118.7° | 118.6° |
| C6 | C5 | N1 | C8 | 35.3° | 39.2° |
| C6 | C5 | N1 | C3 | 168.6° | 159.7° |
| C5 | C6 | C7 | H1 | 154.1° | 97.0° |
| C5 | C6 | C7 | H2 | 84.1° | 140.9° |
| C6 | C5 | H11 | H12 | 123.7° | 123.2° |
| C5 | C6 | H13 | H14 | 123.3° | 123.3° |
| C7 | C8 | N1 | C5 | 13.5° | 25.3° |
| C7 | C8 | N1 | H3 | 119.2° | 119.3° |
| C7 | C8 | N1 | H4 | 119.2° | 119.4° |
| C7 | C8 | N1 | C3 | 150.0° | 145.8° |
| C8 | C7 | H1 | H2 | 122.6° | 122.1° |
| C7 | C8 | H3 | H4 | 122.2° | 121.2° |
| C8 | C7 | C6 | H13 | 153.9° | 140.3° |
| C8 | C7 | C6 | H14 | 83.9° | 96.4° |
| C5 | N1 | C8 | C3 | 136.5° | 120.5° |
| C5 | N1 | C3 | N | 113.1° | 57.9° |
| C5 | N1 | C3 | C2 | 74.0° | 123.0° |
| C5 | N1 | C8 | H3 | 132.7° | 94.0° |
| C5 | N1 | C8 | H4 | 105.8° | 144.7° |
| N1 | C5 | H11 | H12 | 123.7° | 123.0° |
| N1 | C5 | C6 | H13 | 161.7° | 155.7° |
| N1 | C5 | C6 | H14 | 76.0° | 81.0° |
| C8 | N1 | C3 | N | 18.3° | 59.5° |
| C8 | N1 | C3 | C2 | 154.7° | 119.6° |
| N1 | C8 | C7 | H1 | 133.1° | 120.1° |
| N1 | C8 | C7 | H2 | 105.1° | 117.8° |
| N1 | C8 | H3 | H4 | 122.2° | 121.2° |
| C8 | N1 | C5 | H11 | 83.4° | 157.7° |
| C8 | N1 | C5 | H12 | 154.0° | 79.4° |
| N1 | C3 | N | C2 | 172.3° | 179.2° |
| N1 | C3 | N | C4 | 169.3° | 180.0° |
| N1 | C3 | C2 | C9 | 14.6° | 0.3° |
| N1 | C3 | C2 | C1 | 168.7° | 179.7° |
| C3 | N1 | C8 | H3 | 90.8° | 26.5° |
| C3 | N1 | C8 | H4 | 30.8° | 94.8° |
| C3 | N1 | C5 | H11 | 49.9° | 81.8° |
| C3 | N1 | C5 | H12 | 72.7° | 41.1° |
| N | C3 | C2 | C9 | 172.4° | 179.4° |
| N | C3 | C2 | C1 | 4.2° | 0.5° |
| C3 | N | C4 | C | 0.1° | 0.6° |
| C3 | N | C4 | H15 | 179.9° | 179.4° |
| C3 | C2 | C9 | N2 | 106.1° | 76.9° |
| C2 | C3 | N | C4 | 3.0° | 0.8° |
| C3 | C2 | C9 | C1 | 176.6° | 180.0° |
| C3 | C2 | C1 | C | 2.5° | 0.0° |
| C3 | C2 | C9 | H8 | 134.9° | 43.0° |
| C3 | C2 | C9 | H9 | 12.9° | 163.0° |
| C3 | C2 | C1 | H10 | 177.5° | 179.7° |
| N2 | C9 | C2 | H8 | 119.0° | 120.0° |
| N2 | C9 | C2 | H9 | 119.0° | 120.0° |
| N2 | C9 | C2 | C1 | 70.5° | 103.0° |
| C9 | N2 | H5 | H6 | 120.0° | 124.1° |
| N2 | C9 | H8 | H9 | 122.9° | 120.0° |
| N | C4 | C | H15 | 180.0° | 180.0° |
| N | C4 | C | C1 | 1.4° | 0.0° |
| N | C4 | C | H16 | 178.6° | 180.0° |
| C9 | C2 | C1 | C | 174.1° | 180.0° |
| C2 | C9 | N2 | H5 | 180.0° | 56.0° |
| C2 | C9 | N2 | H6 | 60.0° | 179.9° |
| C2 | C9 | H8 | H9 | 122.9° | 120.1° |
| C9 | C2 | C1 | H10 | 5.9° | 0.3° |
| C2 | C1 | C | C4 | 0.2° | 0.3° |
| C2 | C1 | C | H10 | 180.0° | 179.7° |
| C1 | C2 | C9 | H8 | 48.5° | 137.0° |
| C1 | C2 | C9 | H9 | 170.5° | 17.0° |
| C2 | C1 | C | H16 | 179.8° | 179.7° |
| C4 | C | C1 | H16 | 180.0° | 180.0° |
| C4 | C | C1 | H10 | 179.8° | 180.0° |
| C1 | C | C4 | H15 | 178.6° | 180.0° |
| H1 | C7 | C8 | H3 | 13.8° | 0.7° |
| H1 | C7 | C8 | H4 | 107.7° | 120.5° |
| H1 | C7 | C6 | H13 | 87.0° | 21.4° |
| H1 | C7 | C6 | H14 | 35.3° | 144.7° |
| H2 | C7 | C8 | H3 | 135.6° | 122.9° |
| H2 | C7 | C8 | H4 | 14.1° | 1.6° |
| H2 | C7 | C6 | H13 | 34.7° | 100.7° |
| H2 | C7 | C6 | H14 | 157.0° | 22.5° |
| H5 | N2 | C9 | H8 | 61.0° | 176.0° |
| H5 | N2 | C9 | H9 | 61.0° | 64.0° |
| H6 | N2 | C9 | H8 | 59.0° | 60.0° |
| H6 | N2 | C9 | H9 | 179.0° | 60.0° |
| H10 | C1 | C | H16 | 0.2° | 0.1° |
| H11 | C5 | C6 | H13 | 43.0° | 85.8° |
| H11 | C5 | C6 | H14 | 165.3° | 37.5° |
| H12 | C5 | C6 | H13 | 79.6° | 37.2° |
| H12 | C5 | C6 | H14 | 42.7° | 160.5° |
| H15 | C4 | C | H16 | 1.4° | 0.0° |
