V9B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N20 | sing | 1.46Å | 1.45Å | |
| N20 | C18 | sing | 1.35Å | 1.33Å | |
| O19 | C18 | doub | 1.22Å | 1.24Å | |
| C18 | C15 | sing | 1.47Å | 1.49Å | |
| C15 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C15 | N13 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C10 | sing | 1.42Å | 1.43Å | Aromatic |
| N13 | C11 | sing | 1.34Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C08 | sing | 1.47Å | 1.48Å | |
| C08 | O09 | doub | 1.21Å | 1.23Å | |
| C08 | C05 | sing | 1.51Å | 1.50Å | |
| C05 | C01 | sing | 1.53Å | 1.51Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| N13 | H10 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| N20 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N20 | C18 | 121.9° | 120.0° |
| N20 | C22 | H1 | 109.5° | 109.5° |
| N20 | C22 | H2 | 109.5° | 109.5° |
| N20 | C22 | H3 | 109.5° | 109.5° |
| C22 | N20 | H12 | 119.0° | 120.1° |
| N20 | C18 | O19 | 122.7° | 120.0° |
| N20 | C18 | C15 | 116.2° | 120.0° |
| C18 | N20 | H12 | 119.0° | 119.9° |
| O19 | C18 | C15 | 121.1° | 120.0° |
| C18 | C15 | C16 | 132.6° | 125.8° |
| C18 | C15 | N13 | 119.4° | 125.8° |
| C16 | C15 | N13 | 107.9° | 108.4° |
| C15 | C16 | C10 | 107.0° | 107.0° |
| C15 | C16 | H11 | 126.5° | 126.5° |
| C15 | N13 | C11 | 109.8° | 109.3° |
| C15 | N13 | H10 | 125.1° | 125.3° |
| C16 | C10 | C11 | 106.7° | 106.9° |
| C16 | C10 | C08 | 126.0° | 126.5° |
| C10 | C16 | H11 | 126.5° | 126.5° |
| N13 | C11 | C10 | 108.6° | 108.3° |
| N13 | C11 | H9 | 125.7° | 125.8° |
| C11 | N13 | H10 | 125.1° | 125.3° |
| C11 | C10 | C08 | 127.4° | 126.5° |
| C10 | C11 | H9 | 125.7° | 125.8° |
| C10 | C08 | O09 | 120.4° | 120.0° |
| C10 | C08 | C05 | 119.2° | 120.0° |
| O09 | C08 | C05 | 120.4° | 120.0° |
| C08 | C05 | C01 | 114.1° | 109.5° |
| C08 | C05 | H7 | 108.3° | 109.5° |
| C08 | C05 | H8 | 108.3° | 109.5° |
| C05 | C01 | H4 | 109.5° | 109.5° |
| C05 | C01 | H5 | 109.4° | 109.4° |
| C05 | C01 | H6 | 109.5° | 109.4° |
| C01 | C05 | H7 | 108.3° | 109.4° |
| C01 | C05 | H8 | 108.3° | 109.5° |
| H1 | C22 | H2 | 109.5° | 109.4° |
| H1 | C22 | H3 | 109.5° | 109.5° |
| H2 | C22 | H3 | 109.5° | 109.4° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N20 | C18 | H12 | 180.0° | 179.9° |
| C22 | N20 | C18 | O19 | 0.1° | 0.1° |
| C22 | N20 | C18 | C15 | 179.6° | 180.0° |
| N20 | C22 | H1 | H2 | 120.0° | 120.0° |
| N20 | C22 | H1 | H3 | 120.0° | 120.1° |
| N20 | C22 | H2 | H3 | 120.0° | 120.0° |
| N20 | C18 | O19 | C15 | 179.5° | 179.9° |
| N20 | C18 | C15 | C16 | 4.9° | 180.0° |
| N20 | C18 | C15 | N13 | 174.8° | 0.4° |
| C18 | N20 | C22 | H1 | 180.0° | 60.0° |
| C18 | N20 | C22 | H2 | 60.0° | 180.0° |
| C18 | N20 | C22 | H3 | 60.0° | 60.1° |
| O19 | C18 | C15 | C16 | 175.6° | 0.1° |
| O19 | C18 | C15 | N13 | 4.7° | 179.5° |
| O19 | C18 | N20 | H12 | 179.9° | 180.0° |
| C18 | C15 | C16 | N13 | 179.7° | 179.6° |
| C18 | C15 | C16 | C10 | 179.6° | 179.9° |
| C18 | C15 | N13 | C11 | 179.5° | 179.9° |
| C18 | C15 | N13 | H10 | 0.4° | 0.3° |
| C18 | C15 | C16 | H11 | 0.4° | 0.4° |
| C15 | C18 | N20 | H12 | 0.4° | 0.1° |
| C15 | C16 | C10 | H11 | 180.0° | 179.6° |
| C16 | C15 | N13 | C11 | 0.2° | 0.2° |
| C15 | C16 | C10 | C11 | 0.1° | 0.4° |
| C15 | C16 | C10 | C08 | 179.9° | 179.9° |
| C16 | C15 | N13 | H10 | 179.8° | 179.9° |
| N13 | C15 | C16 | C10 | 0.1° | 0.4° |
| C15 | N13 | C11 | H10 | 180.0° | 179.8° |
| C15 | N13 | C11 | C10 | 0.2° | 0.1° |
| C15 | N13 | C11 | H9 | 179.7° | 180.0° |
| N13 | C15 | C16 | H11 | 179.9° | 180.0° |
| C16 | C10 | C11 | N13 | 0.2° | 0.3° |
| C16 | C10 | C11 | C08 | 180.0° | 179.7° |
| C16 | C10 | C08 | O09 | 7.6° | 0.4° |
| C16 | C10 | C08 | C05 | 172.5° | 179.7° |
| C16 | C10 | C11 | H9 | 179.8° | 179.8° |
| N13 | C11 | C10 | H9 | 180.0° | 179.9° |
| N13 | C11 | C10 | C08 | 179.8° | 180.0° |
| C11 | C10 | C08 | O09 | 172.3° | 180.0° |
| C11 | C10 | C08 | C05 | 7.5° | 0.1° |
| C10 | C11 | N13 | H10 | 179.8° | 179.8° |
| C11 | C10 | C16 | H11 | 179.9° | 180.0° |
| C10 | C08 | O09 | C05 | 179.8° | 179.9° |
| C10 | C08 | C05 | C01 | 150.5° | 179.9° |
| C10 | C08 | C05 | H7 | 88.8° | 60.0° |
| C10 | C08 | C05 | H8 | 29.8° | 60.0° |
| C08 | C10 | C11 | H9 | 0.2° | 0.1° |
| C08 | C10 | C16 | H11 | 0.1° | 0.3° |
| O09 | C08 | C05 | C01 | 29.7° | 0.0° |
| O09 | C08 | C05 | H7 | 91.0° | 120.0° |
| O09 | C08 | C05 | H8 | 150.3° | 120.0° |
| C08 | C05 | C01 | H7 | 120.7° | 120.0° |
| C08 | C05 | C01 | H8 | 120.7° | 120.0° |
| C08 | C05 | C01 | H4 | 180.0° | 60.0° |
| C08 | C05 | C01 | H5 | 60.0° | 60.0° |
| C08 | C05 | C01 | H6 | 60.0° | 180.0° |
| C08 | C05 | H7 | H8 | 117.9° | 120.0° |
| C05 | C01 | H4 | H5 | 120.0° | 120.0° |
| C05 | C01 | H4 | H6 | 120.0° | 120.0° |
| C05 | C01 | H5 | H6 | 120.0° | 119.9° |
| C01 | C05 | H7 | H8 | 117.8° | 120.0° |
| H1 | C22 | H2 | H3 | 120.0° | 120.0° |
| H1 | C22 | N20 | H12 | 0.0° | 119.9° |
| H2 | C22 | N20 | H12 | 120.0° | 0.1° |
| H3 | C22 | N20 | H12 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 120.1° |
| H4 | C01 | C05 | H7 | 59.3° | 60.0° |
| H4 | C01 | C05 | H8 | 59.3° | 180.0° |
| H5 | C01 | C05 | H7 | 179.3° | 180.0° |
| H5 | C01 | C05 | H8 | 60.7° | 60.0° |
| H6 | C01 | C05 | H7 | 60.7° | 60.0° |
| H6 | C01 | C05 | H8 | 179.3° | 59.9° |
| H9 | C11 | N13 | H10 | 0.3° | 0.1° |
