BV7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | N3 | sing | 1.47Å | 1.44Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | O10 | doub | 1.21Å | 1.19Å | |
| C9 | O11 | sing | 1.34Å | 1.32Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 1.01Å | 1.00Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 105.9° | 109.3° |
| C1 | C2 | N3 | 108.8° | 109.5° |
| C2 | C1 | H11C | 110.4° | 109.5° |
| C2 | C1 | H12C | 110.4° | 109.5° |
| C1 | C2 | H21C | 109.6° | 109.5° |
| C1 | C2 | H22C | 109.6° | 109.4° |
| C1 | C6 | C5 | 107.5° | 109.2° |
| C1 | C6 | C7 | 111.6° | 109.5° |
| C6 | C1 | H11C | 110.4° | 109.5° |
| C6 | C1 | H12C | 110.3° | 109.5° |
| C1 | C6 | H6 | 108.1° | 109.6° |
| C2 | N3 | C4 | 113.8° | 111.2° |
| N3 | C2 | H21C | 109.6° | 109.5° |
| N3 | C2 | H22C | 109.7° | 109.5° |
| C2 | N3 | H3 | 108.4° | 111.0° |
| N3 | C4 | C5 | 111.5° | 109.5° |
| C4 | N3 | H3 | 108.4° | 111.0° |
| N3 | C4 | H41C | 109.0° | 109.5° |
| N3 | C4 | H42C | 109.0° | 109.4° |
| C4 | C5 | C6 | 107.7° | 109.2° |
| C5 | C4 | H41C | 109.0° | 109.4° |
| C5 | C4 | H42C | 109.0° | 109.4° |
| C4 | C5 | H51C | 109.9° | 109.5° |
| C4 | C5 | H52C | 109.9° | 109.6° |
| C5 | C6 | C7 | 113.5° | 109.5° |
| C5 | C6 | H6 | 108.0° | 109.5° |
| C6 | C5 | H51C | 109.9° | 109.5° |
| C6 | C5 | H52C | 109.9° | 109.5° |
| C6 | C7 | C8 | 111.7° | 109.5° |
| C7 | C6 | H6 | 107.9° | 109.6° |
| C6 | C7 | H71C | 108.9° | 109.5° |
| C6 | C7 | H72C | 108.9° | 109.4° |
| C7 | C8 | C9 | 111.5° | 109.5° |
| C8 | C7 | H71C | 108.9° | 109.5° |
| C8 | C7 | H72C | 108.9° | 109.5° |
| C7 | C8 | H81C | 109.0° | 109.5° |
| C7 | C8 | H82C | 109.0° | 109.5° |
| C8 | C9 | O10 | 119.9° | 120.0° |
| C8 | C9 | O11 | 121.2° | 120.1° |
| C9 | C8 | H81C | 109.0° | 109.4° |
| C9 | C8 | H82C | 109.0° | 109.5° |
| O10 | C9 | O11 | 118.9° | 120.0° |
| C9 | O11 | H11 | 109.5° | 117.0° |
| H11C | C1 | H12C | 109.5° | 109.6° |
| H21C | C2 | H22C | 109.5° | 109.4° |
| H41C | C4 | H42C | 109.4° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H11C | 119.5° | 119.9° |
| C2 | C1 | C6 | H12C | 119.4° | 119.9° |
| C1 | C2 | N3 | H21C | 119.9° | 120.0° |
| C1 | C2 | N3 | H22C | 119.9° | 120.0° |
| C1 | C2 | N3 | C4 | 58.7° | 61.8° |
| C2 | C1 | C6 | C5 | 67.8° | 57.7° |
| C2 | C1 | C6 | C7 | 167.1° | 177.5° |
| C2 | C1 | H11C | H12C | 121.7° | 120.1° |
| C1 | C2 | H21C | H22C | 120.3° | 120.0° |
| C2 | C1 | C6 | H6 | 48.6° | 62.3° |
| C1 | C2 | N3 | H3 | 179.4° | 174.2° |
| C6 | C1 | C2 | N3 | 64.8° | 59.2° |
| C1 | C6 | C5 | C4 | 62.1° | 57.7° |
| C1 | C6 | C5 | C7 | 124.0° | 119.9° |
| C1 | C6 | C5 | H6 | 116.4° | 120.0° |
| C1 | C6 | C7 | H6 | 118.6° | 120.2° |
| C1 | C6 | C7 | C8 | 43.4° | 175.0° |
| C6 | C1 | H11C | H12C | 121.6° | 120.1° |
| C6 | C1 | C2 | H21C | 55.1° | 60.8° |
| C6 | C1 | C2 | H22C | 175.3° | 179.2° |
| C1 | C6 | C5 | H51C | 178.1° | 177.6° |
| C1 | C6 | C5 | H52C | 57.6° | 62.3° |
| C1 | C6 | C7 | H71C | 76.9° | 65.0° |
| C1 | C6 | C7 | H72C | 163.8° | 55.0° |
| C2 | N3 | C4 | H3 | 120.6° | 124.1° |
| C2 | N3 | C4 | C5 | 53.5° | 61.8° |
| N3 | C2 | C1 | H11C | 54.7° | 60.7° |
| N3 | C2 | C1 | H12C | 175.8° | 179.1° |
| N3 | C2 | H21C | H22C | 120.3° | 120.0° |
| C2 | N3 | C4 | H41C | 66.8° | 58.2° |
| C2 | N3 | C4 | H42C | 173.8° | 178.2° |
| N3 | C4 | C5 | H41C | 120.3° | 120.1° |
| N3 | C4 | C5 | H42C | 120.3° | 120.0° |
| N3 | C4 | C5 | C6 | 53.9° | 59.2° |
| C4 | N3 | C2 | H21C | 61.2° | 58.3° |
| C4 | N3 | C2 | H22C | 178.6° | 178.2° |
| N3 | C4 | H41C | H42C | 119.1° | 120.0° |
| N3 | C4 | C5 | H51C | 173.6° | 179.1° |
| N3 | C4 | C5 | H52C | 65.8° | 60.7° |
| C4 | C5 | C6 | H51C | 119.7° | 119.9° |
| C4 | C5 | C6 | H52C | 119.7° | 120.0° |
| C4 | C5 | C6 | C7 | 173.9° | 177.6° |
| C4 | C5 | C6 | H6 | 54.2° | 62.3° |
| C5 | C4 | N3 | H3 | 174.2° | 174.2° |
| C5 | C4 | H41C | H42C | 119.1° | 119.9° |
| C4 | C5 | H51C | H52C | 120.8° | 120.2° |
| C5 | C6 | C7 | H6 | 119.7° | 120.1° |
| C5 | C6 | C7 | C8 | 78.3° | 65.3° |
| C5 | C6 | C1 | H11C | 51.7° | 62.3° |
| C5 | C6 | C1 | H12C | 172.8° | 177.6° |
| C6 | C5 | C4 | H41C | 66.4° | 60.9° |
| C6 | C5 | C4 | H42C | 174.2° | 179.2° |
| C6 | C5 | H51C | H52C | 120.8° | 120.1° |
| C5 | C6 | C7 | H71C | 161.4° | 54.7° |
| C5 | C6 | C7 | H72C | 42.1° | 174.7° |
| C6 | C7 | C8 | H71C | 120.3° | 120.0° |
| C6 | C7 | C8 | H72C | 120.3° | 119.9° |
| C6 | C7 | C8 | C9 | 179.2° | 180.0° |
| C7 | C6 | C1 | H11C | 73.5° | 57.6° |
| C7 | C6 | C1 | H12C | 47.7° | 62.6° |
| C7 | C6 | C5 | H51C | 54.1° | 62.5° |
| C7 | C6 | C5 | H52C | 66.4° | 57.6° |
| C6 | C7 | H71C | H72C | 119.0° | 120.0° |
| C6 | C7 | C8 | H81C | 58.9° | 60.0° |
| C6 | C7 | C8 | H82C | 60.5° | 60.0° |
| C7 | C8 | C9 | H81C | 120.3° | 120.0° |
| C7 | C8 | C9 | H82C | 120.3° | 120.1° |
| C7 | C8 | C9 | O10 | 167.4° | 0.0° |
| C7 | C8 | C9 | O11 | 12.8° | 180.0° |
| C8 | C7 | C6 | H6 | 162.0° | 54.8° |
| C8 | C7 | H71C | H72C | 119.0° | 120.0° |
| C7 | C8 | H81C | H82C | 119.1° | 120.0° |
| C8 | C9 | O10 | O11 | 179.8° | 180.0° |
| C9 | C8 | C7 | H71C | 60.5° | 60.0° |
| C9 | C8 | C7 | H72C | 58.9° | 60.0° |
| C9 | C8 | H81C | H82C | 119.1° | 119.9° |
| C8 | C9 | O11 | H11 | 179.8° | 180.0° |
| O10 | C9 | C8 | H81C | 47.1° | 120.0° |
| O10 | C9 | C8 | H82C | 72.3° | 120.1° |
| O10 | C9 | O11 | H11 | 0.0° | 0.0° |
| O11 | C9 | C8 | H81C | 133.1° | 60.0° |
| O11 | C9 | C8 | H82C | 107.5° | 59.9° |
| H11C | C1 | C2 | H21C | 174.6° | 179.2° |
| H11C | C1 | C2 | H22C | 65.2° | 59.3° |
| H11C | C1 | C6 | H6 | 168.0° | 177.8° |
| H12C | C1 | C2 | H21C | 64.3° | 59.1° |
| H12C | C1 | C2 | H22C | 55.9° | 60.8° |
| H12C | C1 | C6 | H6 | 70.8° | 57.6° |
| H21C | C2 | N3 | H3 | 59.5° | 65.8° |
| H22C | C2 | N3 | H3 | 60.7° | 54.2° |
| H6 | C6 | C5 | H51C | 65.5° | 57.6° |
| H6 | C6 | C5 | H52C | 173.9° | 177.7° |
| H6 | C6 | C7 | H71C | 41.7° | 174.8° |
| H6 | C6 | C7 | H72C | 77.6° | 65.2° |
| H3 | N3 | C4 | H41C | 53.9° | 65.8° |
| H3 | N3 | C4 | H42C | 65.5° | 54.2° |
| H41C | C4 | C5 | H51C | 53.3° | 59.1° |
| H41C | C4 | C5 | H52C | 173.9° | 179.2° |
| H42C | C4 | C5 | H51C | 66.1° | 60.9° |
| H42C | C4 | C5 | H52C | 54.5° | 59.3° |
| H71C | C7 | C8 | H81C | 179.2° | 180.0° |
| H71C | C7 | C8 | H82C | 59.8° | 60.0° |
| H72C | C7 | C8 | H81C | 61.4° | 60.0° |
| H72C | C7 | C8 | H82C | 179.2° | 179.9° |
