V41
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| N18 | C15 | doub | 1.29Å | 1.27Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | N6 | sing | 1.37Å | 1.39Å | |
| N6 | N13 | doub | 1.24Å | 1.24Å | |
| C15 | N19 | sing | 1.37Å | 1.40Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| C14 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | N17 | sing | 1.35Å | 1.42Å | |
| C16 | O20 | doub | 1.21Å | 1.24Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| N17 | H7 | sing | 0.97Å | 1.00Å | |
| N17 | H8 | sing | 0.97Å | 1.00Å | |
| N18 | H9 | sing | 0.97Å | 1.00Å | |
| N19 | H10 | sing | 0.97Å | 1.00Å | |
| N19 | H11 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 119.0° | 120.1° |
| C11 | C10 | C9 | 121.1° | 120.3° |
| C11 | C10 | H3 | 119.4° | 119.8° |
| C10 | C11 | H4 | 120.5° | 119.9° |
| C11 | C12 | C7 | 120.5° | 119.9° |
| C12 | C11 | H4 | 120.5° | 119.9° |
| C11 | C12 | H5 | 119.7° | 120.1° |
| C10 | C9 | C8 | 120.2° | 120.2° |
| C10 | C9 | H2 | 119.9° | 119.9° |
| C9 | C10 | H3 | 119.5° | 119.9° |
| C12 | C7 | C8 | 120.2° | 119.7° |
| C12 | C7 | N6 | 117.6° | 120.2° |
| C7 | C12 | H5 | 119.8° | 120.1° |
| N18 | C15 | N19 | 115.5° | 120.0° |
| N18 | C15 | C14 | 117.9° | 120.0° |
| C15 | N18 | H9 | 112.0° | 120.0° |
| C9 | C8 | C7 | 118.9° | 119.8° |
| C9 | C8 | H1 | 120.5° | 120.1° |
| C8 | C9 | H2 | 119.9° | 119.9° |
| C8 | C7 | N6 | 122.2° | 120.1° |
| C7 | C8 | H1 | 120.6° | 120.1° |
| C7 | N6 | N13 | 124.4° | 120.0° |
| N6 | N13 | C14 | 115.1° | 120.0° |
| N19 | C15 | C14 | 126.6° | 120.0° |
| C15 | N19 | H10 | 120.0° | 119.9° |
| C15 | N19 | H11 | 120.0° | 120.0° |
| C15 | C14 | N13 | 111.0° | 109.5° |
| C15 | C14 | C16 | 119.7° | 109.5° |
| C15 | C14 | H6 | 105.3° | 109.4° |
| N13 | C14 | C16 | 108.2° | 109.5° |
| N13 | C14 | H6 | 106.1° | 109.5° |
| C14 | C16 | N17 | 121.5° | 120.0° |
| C14 | C16 | O20 | 119.6° | 120.0° |
| C16 | C14 | H6 | 105.5° | 109.5° |
| N17 | C16 | O20 | 118.9° | 120.0° |
| C16 | N17 | H7 | 120.0° | 120.0° |
| C16 | N17 | H8 | 120.0° | 120.0° |
| H7 | N17 | H8 | 120.0° | 120.0° |
| H10 | N19 | H11 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H4 | 180.0° | 179.8° |
| C11 | C10 | C9 | H3 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 0.3° | 0.5° |
| C11 | C10 | C9 | C8 | 0.9° | 0.1° |
| C11 | C10 | C9 | H2 | 179.1° | 179.9° |
| C10 | C11 | C12 | H5 | 179.6° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.2° |
| C11 | C12 | C7 | H5 | 180.0° | 179.5° |
| C11 | C12 | C7 | C8 | 1.8° | 0.6° |
| C11 | C12 | C7 | N6 | 179.7° | 179.7° |
| C12 | C11 | C10 | H3 | 179.9° | 179.7° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C10 | C9 | C8 | C7 | 2.3° | 0.0° |
| C10 | C9 | C8 | H1 | 177.7° | 179.9° |
| C9 | C10 | C11 | H4 | 179.8° | 179.9° |
| C12 | C7 | C8 | C9 | 2.7° | 0.3° |
| C12 | C7 | C8 | N6 | 177.8° | 179.7° |
| C12 | C7 | N6 | N13 | 160.3° | 0.3° |
| C12 | C7 | C8 | H1 | 177.3° | 179.8° |
| C7 | C12 | C11 | H4 | 179.7° | 179.6° |
| N18 | C15 | N19 | C14 | 178.3° | 180.0° |
| N18 | C15 | C14 | N13 | 43.8° | 5.1° |
| N18 | C15 | C14 | C16 | 171.0° | 125.1° |
| N18 | C15 | C14 | H6 | 70.6° | 114.9° |
| N18 | C15 | N19 | H10 | 178.2° | 174.0° |
| N18 | C15 | N19 | H11 | 1.7° | 5.9° |
| C9 | C8 | C7 | H1 | 180.0° | 179.9° |
| C9 | C8 | C7 | N6 | 179.4° | 180.0° |
| C8 | C9 | C10 | H3 | 179.1° | 180.0° |
| C8 | C7 | N6 | N13 | 21.8° | 180.0° |
| C7 | C8 | C9 | H2 | 177.7° | 180.0° |
| C8 | C7 | C12 | H5 | 178.2° | 179.9° |
| C7 | N6 | N13 | C14 | 177.9° | 180.0° |
| N6 | C7 | C8 | H1 | 0.6° | 0.1° |
| N6 | C7 | C12 | H5 | 0.3° | 0.3° |
| N6 | N13 | C14 | C15 | 93.7° | 175.0° |
| N6 | N13 | C14 | C16 | 133.0° | 65.0° |
| N6 | N13 | C14 | H6 | 20.2° | 55.0° |
| N19 | C15 | C14 | N13 | 138.0° | 174.9° |
| N19 | C15 | C14 | C16 | 10.8° | 54.9° |
| N19 | C15 | C14 | H6 | 107.6° | 65.1° |
| N19 | C15 | N18 | H9 | 178.4° | 179.9° |
| C15 | N19 | H10 | H11 | 180.0° | 180.0° |
| C15 | C14 | N13 | C16 | 133.3° | 120.0° |
| C15 | C14 | N13 | H6 | 113.9° | 120.0° |
| C15 | C14 | C16 | H6 | 118.3° | 120.0° |
| C15 | C14 | C16 | N17 | 28.6° | 87.7° |
| C15 | C14 | C16 | O20 | 153.4° | 92.3° |
| C14 | C15 | N18 | H9 | 0.0° | 0.0° |
| C14 | C15 | N19 | H10 | 0.0° | 6.0° |
| C14 | C15 | N19 | H11 | 180.0° | 174.0° |
| N13 | C14 | C16 | H6 | 113.2° | 120.0° |
| N13 | C14 | C16 | N17 | 157.0° | 152.3° |
| N13 | C14 | C16 | O20 | 24.9° | 27.7° |
| C14 | C16 | N17 | O20 | 178.1° | 180.0° |
| C14 | C16 | N17 | H7 | 178.1° | 5.1° |
| C14 | C16 | N17 | H8 | 1.9° | 174.8° |
| N17 | C16 | C14 | H6 | 89.8° | 32.3° |
| C16 | N17 | H7 | H8 | 180.0° | 179.9° |
| O20 | C16 | C14 | H6 | 88.3° | 147.7° |
| O20 | C16 | N17 | H7 | 0.0° | 174.9° |
| O20 | C16 | N17 | H8 | 180.0° | 5.2° |
| H1 | C8 | C9 | H2 | 2.3° | 0.1° |
| H2 | C9 | C10 | H3 | 0.9° | 0.0° |
| H3 | C10 | C11 | H4 | 0.2° | 0.1° |
| H4 | C11 | C12 | H5 | 0.3° | 0.2° |
