7V3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C4A | sing | 1.74Å | 1.73Å | |
| C4A | C5A | doub | 1.38Å | 1.38Å | Aromatic |
| C4A | C3A | sing | 1.38Å | 1.35Å | Aromatic |
| C5A | C6A | sing | 1.38Å | 1.38Å | Aromatic |
| C3A | C2A | doub | 1.38Å | 1.37Å | Aromatic |
| C6A | C1A | doub | 1.38Å | 1.36Å | Aromatic |
| C2A | C1A | sing | 1.38Å | 1.38Å | Aromatic |
| C1A | C7 | sing | 1.51Å | 1.47Å | |
| N | C7 | sing | 1.47Å | 1.47Å | |
| C7 | C1B | sing | 1.51Å | 1.56Å | |
| C1B | C2B | doub | 1.38Å | 1.41Å | Aromatic |
| C1B | C6B | sing | 1.38Å | 1.41Å | Aromatic |
| C2B | C3B | sing | 1.38Å | 1.41Å | Aromatic |
| C6B | C5B | doub | 1.38Å | 1.41Å | Aromatic |
| C3B | C4B | doub | 1.38Å | 1.39Å | Aromatic |
| C5B | C4B | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C4B | H2 | sing | 1.08Å | 1.08Å | |
| C5B | H3 | sing | 1.08Å | 1.08Å | |
| C3B | H4 | sing | 1.08Å | 1.08Å | |
| C6B | H5 | sing | 1.08Å | 1.08Å | |
| C2B | H6 | sing | 1.08Å | 1.08Å | |
| C5A | H7 | sing | 1.08Å | 1.08Å | |
| C2A | H8 | sing | 1.08Å | 1.08Å | |
| C3A | H9 | sing | 1.08Å | 1.08Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| C6A | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C4A | C5A | 119.8° | 120.0° |
| CL | C4A | C3A | 119.8° | 120.0° |
| C5A | C4A | C3A | 120.4° | 120.0° |
| C4A | C5A | C6A | 119.5° | 120.0° |
| C4A | C5A | H7 | 120.3° | 120.0° |
| C4A | C3A | C2A | 119.0° | 120.0° |
| C4A | C3A | H9 | 120.5° | 119.9° |
| C5A | C6A | C1A | 121.3° | 120.0° |
| C6A | C5A | H7 | 120.2° | 120.0° |
| C5A | C6A | H13 | 119.4° | 120.0° |
| C3A | C2A | C1A | 122.8° | 120.0° |
| C3A | C2A | H8 | 118.6° | 120.0° |
| C2A | C3A | H9 | 120.5° | 120.1° |
| C6A | C1A | C2A | 117.0° | 120.0° |
| C6A | C1A | C7 | 121.4° | 120.0° |
| C1A | C6A | H13 | 119.4° | 120.0° |
| C2A | C1A | C7 | 121.5° | 120.0° |
| C1A | C2A | H8 | 118.6° | 119.9° |
| C1A | C7 | N | 113.2° | 109.5° |
| C1A | C7 | C1B | 113.9° | 109.4° |
| C1A | C7 | H1 | 104.4° | 109.5° |
| N | C7 | C1B | 115.6° | 109.5° |
| N | C7 | H1 | 104.4° | 109.5° |
| C7 | N | H10 | 109.5° | 111.0° |
| C7 | N | H11 | 109.4° | 111.0° |
| C7 | C1B | C2B | 124.5° | 120.0° |
| C7 | C1B | C6B | 119.8° | 120.0° |
| C1B | C7 | H1 | 103.6° | 109.4° |
| C2B | C1B | C6B | 115.7° | 120.0° |
| C1B | C2B | C3B | 121.9° | 120.0° |
| C1B | C2B | H6 | 119.0° | 120.0° |
| C1B | C6B | C5B | 122.5° | 120.0° |
| C1B | C6B | H5 | 118.8° | 120.0° |
| C2B | C3B | C4B | 121.0° | 120.0° |
| C2B | C3B | H4 | 119.5° | 120.0° |
| C3B | C2B | H6 | 119.0° | 120.0° |
| C6B | C5B | C4B | 120.6° | 120.0° |
| C6B | C5B | H3 | 119.7° | 120.0° |
| C5B | C6B | H5 | 118.8° | 120.0° |
| C3B | C4B | C5B | 118.3° | 120.0° |
| C3B | C4B | H2 | 120.8° | 120.0° |
| C4B | C3B | H4 | 119.5° | 120.0° |
| C5B | C4B | H2 | 120.8° | 120.0° |
| C4B | C5B | H3 | 119.7° | 120.0° |
| H10 | N | H11 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C4A | C5A | C3A | 179.8° | 179.7° |
| CL | C4A | C5A | C6A | 179.5° | 179.7° |
| CL | C4A | C3A | C2A | 179.9° | 179.7° |
| CL | C4A | C5A | H7 | 0.5° | 0.3° |
| CL | C4A | C3A | H9 | 0.1° | 0.3° |
| C4A | C5A | C6A | H7 | 180.0° | 180.0° |
| C5A | C4A | C3A | C2A | 0.1° | 0.0° |
| C4A | C5A | C6A | C1A | 0.7° | 0.0° |
| C5A | C4A | C3A | H9 | 179.9° | 180.0° |
| C4A | C5A | C6A | H13 | 179.3° | 179.9° |
| C3A | C4A | C5A | C6A | 0.3° | 0.1° |
| C4A | C3A | C2A | H9 | 180.0° | 180.0° |
| C4A | C3A | C2A | C1A | 0.1° | 0.0° |
| C3A | C4A | C5A | H7 | 179.7° | 180.0° |
| C4A | C3A | C2A | H8 | 179.9° | 180.0° |
| C5A | C6A | C1A | H13 | 180.0° | 179.9° |
| C5A | C6A | C1A | C2A | 0.7° | 0.0° |
| C5A | C6A | C1A | C7 | 178.6° | 179.9° |
| C3A | C2A | C1A | C6A | 0.2° | 0.0° |
| C3A | C2A | C1A | H8 | 180.0° | 180.0° |
| C3A | C2A | C1A | C7 | 178.1° | 179.9° |
| C6A | C1A | C2A | C7 | 177.9° | 179.9° |
| C6A | C1A | C7 | N | 18.5° | 39.9° |
| C6A | C1A | C7 | C1B | 116.3° | 80.0° |
| C6A | C1A | C7 | H1 | 131.4° | 160.0° |
| C1A | C6A | C5A | H7 | 179.3° | 180.0° |
| C6A | C1A | C2A | H8 | 179.8° | 180.0° |
| C2A | C1A | C7 | N | 159.3° | 140.0° |
| C2A | C1A | C7 | C1B | 65.9° | 100.1° |
| C2A | C1A | C7 | H1 | 46.4° | 19.9° |
| C1A | C2A | C3A | H9 | 179.9° | 180.0° |
| C2A | C1A | C6A | H13 | 179.3° | 179.9° |
| C1A | C7 | N | C1B | 133.9° | 120.0° |
| C1A | C7 | N | H1 | 112.9° | 120.0° |
| C1A | C7 | C1B | H1 | 112.8° | 120.0° |
| C1A | C7 | C1B | C2B | 8.0° | 100.0° |
| C1A | C7 | C1B | C6B | 168.3° | 80.3° |
| C7 | C1A | C2A | H8 | 1.9° | 0.1° |
| C1A | C7 | N | H10 | 180.0° | 64.0° |
| C1A | C7 | N | H11 | 60.0° | 60.0° |
| C7 | C1A | C6A | H13 | 1.4° | 0.0° |
| N | C7 | C1B | H1 | 113.6° | 120.1° |
| N | C7 | C1B | C2B | 125.6° | 140.0° |
| N | C7 | C1B | C6B | 58.1° | 39.7° |
| C7 | N | H10 | H11 | 120.0° | 124.0° |
| C7 | C1B | C2B | C6B | 176.5° | 179.7° |
| C7 | C1B | C2B | C3B | 177.4° | 180.0° |
| C7 | C1B | C6B | C5B | 177.7° | 180.0° |
| C7 | C1B | C6B | H5 | 2.3° | 0.0° |
| C7 | C1B | C2B | H6 | 2.6° | 0.0° |
| C1B | C7 | N | H10 | 46.0° | 176.1° |
| C1B | C7 | N | H11 | 166.1° | 59.9° |
| C1B | C2B | C3B | H6 | 180.0° | 180.0° |
| C2B | C1B | C6B | C5B | 1.0° | 0.2° |
| C1B | C2B | C3B | C4B | 0.3° | 0.1° |
| C2B | C1B | C7 | H1 | 120.8° | 20.0° |
| C1B | C2B | C3B | H4 | 179.7° | 180.0° |
| C2B | C1B | C6B | H5 | 179.0° | 179.7° |
| C6B | C1B | C2B | C3B | 0.9° | 0.2° |
| C1B | C6B | C5B | H5 | 180.0° | 180.0° |
| C1B | C6B | C5B | C4B | 0.6° | 0.1° |
| C6B | C1B | C7 | H1 | 55.5° | 159.8° |
| C1B | C6B | C5B | H3 | 179.4° | 179.9° |
| C6B | C1B | C2B | H6 | 179.1° | 179.7° |
| C2B | C3B | C4B | H4 | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 0.1° | 0.4° |
| C2B | C3B | C4B | H2 | 179.9° | 179.9° |
| C6B | C5B | C4B | C3B | 0.0° | 0.4° |
| C6B | C5B | C4B | H3 | 180.0° | 179.9° |
| C6B | C5B | C4B | H2 | 180.0° | 179.9° |
| C3B | C4B | C5B | H2 | 180.0° | 179.7° |
| C3B | C4B | C5B | H3 | 180.0° | 179.8° |
| C4B | C3B | C2B | H6 | 179.7° | 180.0° |
| C5B | C4B | C3B | H4 | 179.9° | 179.7° |
| C4B | C5B | C6B | H5 | 179.4° | 180.0° |
| H1 | C7 | N | H10 | 67.1° | 56.1° |
| H1 | C7 | N | H11 | 52.9° | 180.0° |
| H2 | C4B | C5B | H3 | 0.0° | 0.1° |
| H2 | C4B | C3B | H4 | 0.1° | 0.0° |
| H3 | C5B | C6B | H5 | 0.6° | 0.1° |
| H4 | C3B | C2B | H6 | 0.3° | 0.0° |
| H7 | C5A | C6A | H13 | 0.7° | 0.1° |
| H8 | C2A | C3A | H9 | 0.1° | 0.0° |
