37V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.41Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.35Å | 1.36Å | Aromatic |
| C6 | S5 | sing | 1.76Å | 1.76Å | Aromatic |
| N13 | C4 | doub | 1.28Å | 1.28Å | Aromatic |
| S5 | C4 | sing | 1.71Å | 1.78Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| O20 | C19 | doub | 1.22Å | 1.22Å | |
| C3 | N1 | sing | 1.46Å | 1.47Å | |
| C19 | N1 | sing | 1.35Å | 1.35Å | |
| C19 | C21 | sing | 1.47Å | 1.51Å | |
| C22 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| O36 | C33 | doub | 1.21Å | 1.22Å | |
| C30 | O31 | sing | 1.36Å | 1.38Å | |
| C30 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.33Å | |
| O31 | C32 | sing | 1.43Å | 1.43Å | |
| C33 | C32 | sing | 1.51Å | 1.50Å | |
| C33 | O34 | sing | 1.34Å | 1.33Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C32 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| O34 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 121.8° | 120.8° |
| C9 | C8 | C7 | 120.6° | 120.1° |
| C9 | C8 | H5 | 119.7° | 120.0° |
| C8 | C9 | H6 | 119.1° | 119.6° |
| C9 | C10 | C12 | 117.4° | 120.4° |
| C10 | C9 | H6 | 119.1° | 119.6° |
| C9 | C10 | H7 | 121.3° | 119.8° |
| C8 | C7 | C6 | 116.8° | 120.0° |
| C8 | C7 | H4 | 121.6° | 120.0° |
| C7 | C8 | H5 | 119.7° | 120.0° |
| C10 | C12 | C6 | 120.5° | 118.5° |
| C10 | C12 | N13 | 127.2° | 129.7° |
| C12 | C10 | H7 | 121.3° | 119.8° |
| C7 | C6 | C12 | 122.9° | 120.2° |
| C7 | C6 | S5 | 125.2° | 131.8° |
| C6 | C7 | H4 | 121.6° | 120.0° |
| C6 | C12 | N13 | 112.3° | 111.8° |
| C12 | C6 | S5 | 111.9° | 108.0° |
| C12 | N13 | C4 | 115.1° | 117.8° |
| C6 | S5 | C4 | 86.4° | 90.8° |
| N13 | C4 | S5 | 114.3° | 111.5° |
| N13 | C4 | C3 | 125.6° | 124.2° |
| S5 | C4 | C3 | 120.1° | 124.2° |
| C4 | C3 | N1 | 110.5° | 109.5° |
| C4 | C3 | H2 | 109.2° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.4° |
| O20 | C19 | N1 | 122.0° | 120.0° |
| O20 | C19 | C21 | 120.0° | 120.0° |
| C3 | N1 | C19 | 120.5° | 120.0° |
| C3 | N1 | H1 | 119.7° | 120.0° |
| N1 | C3 | H2 | 109.2° | 109.5° |
| N1 | C3 | H3 | 109.2° | 109.4° |
| N1 | C19 | C21 | 117.8° | 120.0° |
| C19 | N1 | H1 | 119.7° | 120.0° |
| C19 | C21 | C22 | 118.0° | 120.2° |
| C19 | C21 | C30 | 122.5° | 120.1° |
| C21 | C22 | C24 | 121.1° | 120.0° |
| C22 | C21 | C30 | 119.5° | 119.7° |
| C21 | C22 | H8 | 119.4° | 120.0° |
| C22 | C24 | C26 | 118.5° | 120.3° |
| C24 | C22 | H8 | 119.4° | 120.0° |
| C22 | C24 | H9 | 120.8° | 119.9° |
| C21 | C30 | O31 | 117.9° | 120.1° |
| C21 | C30 | C28 | 120.2° | 119.7° |
| C24 | C26 | C28 | 121.3° | 120.3° |
| C24 | C26 | F27 | 118.9° | 119.8° |
| C26 | C24 | H9 | 120.8° | 119.9° |
| O36 | C33 | C32 | 121.8° | 120.0° |
| O36 | C33 | O34 | 124.8° | 120.0° |
| O31 | C30 | C28 | 121.8° | 120.1° |
| C30 | O31 | C32 | 116.9° | 117.0° |
| C30 | C28 | C26 | 119.4° | 120.1° |
| C30 | C28 | H10 | 120.3° | 120.0° |
| C28 | C26 | F27 | 119.8° | 119.8° |
| C26 | C28 | H10 | 120.3° | 119.9° |
| O31 | C32 | C33 | 109.1° | 109.5° |
| O31 | C32 | H11 | 109.6° | 109.5° |
| O31 | C32 | H12 | 109.6° | 109.5° |
| C32 | C33 | O34 | 113.4° | 120.0° |
| C33 | C32 | H11 | 109.6° | 109.4° |
| C33 | C32 | H12 | 109.6° | 109.5° |
| C33 | O34 | H13 | 109.5° | 117.0° |
| H2 | C3 | H3 | 109.5° | 109.6° |
| H11 | C32 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | C12 | 0.4° | 0.1° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C9 | C8 | C7 | H4 | 179.8° | 180.0° |
| C8 | C9 | C10 | H7 | 179.6° | 180.0° |
| C10 | C9 | C8 | C7 | 0.5° | 0.0° |
| C9 | C10 | C12 | H7 | 180.0° | 180.0° |
| C9 | C10 | C12 | C6 | 0.1° | 0.1° |
| C9 | C10 | C12 | N13 | 179.9° | 179.7° |
| C10 | C9 | C8 | H5 | 179.5° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C12 | 0.1° | 0.0° |
| C8 | C7 | C6 | S5 | 179.6° | 180.0° |
| C7 | C8 | C9 | H6 | 179.5° | 179.9° |
| C10 | C12 | C6 | C7 | 0.1° | 0.0° |
| C10 | C12 | C6 | N13 | 179.8° | 179.8° |
| C10 | C12 | C6 | S5 | 179.7° | 179.9° |
| C10 | C12 | N13 | C4 | 179.5° | 179.7° |
| C12 | C10 | C9 | H6 | 179.6° | 180.0° |
| C7 | C6 | C12 | S5 | 179.6° | 180.0° |
| C7 | C6 | C12 | N13 | 179.7° | 179.8° |
| C7 | C6 | S5 | C4 | 179.5° | 180.0° |
| C6 | C7 | C8 | H5 | 179.8° | 180.0° |
| C6 | C12 | N13 | C4 | 0.3° | 0.5° |
| C12 | C6 | S5 | C4 | 0.1° | 0.0° |
| C12 | C6 | C7 | H4 | 179.9° | 180.0° |
| C6 | C12 | C10 | H7 | 179.9° | 180.0° |
| N13 | C12 | C6 | S5 | 0.1° | 0.2° |
| C12 | N13 | C4 | S5 | 0.4° | 0.5° |
| C12 | N13 | C4 | C3 | 179.7° | 179.8° |
| N13 | C12 | C10 | H7 | 0.1° | 0.2° |
| C6 | S5 | C4 | N13 | 0.2° | 0.3° |
| C6 | S5 | C4 | C3 | 179.8° | 180.0° |
| S5 | C6 | C7 | H4 | 0.4° | 0.0° |
| N13 | C4 | S5 | C3 | 179.9° | 179.7° |
| N13 | C4 | C3 | N1 | 170.0° | 89.7° |
| N13 | C4 | C3 | H2 | 69.8° | 30.3° |
| N13 | C4 | C3 | H3 | 49.9° | 150.4° |
| S5 | C4 | C3 | N1 | 10.1° | 90.0° |
| S5 | C4 | C3 | H2 | 110.1° | 150.0° |
| S5 | C4 | C3 | H3 | 130.2° | 30.0° |
| C4 | C3 | N1 | H2 | 120.1° | 120.0° |
| C4 | C3 | N1 | H3 | 120.1° | 119.9° |
| C4 | C3 | N1 | C19 | 101.7° | 179.7° |
| C4 | C3 | N1 | H1 | 78.3° | 0.1° |
| C4 | C3 | H2 | H3 | 119.5° | 120.0° |
| O20 | C19 | N1 | C3 | 3.1° | 0.3° |
| O20 | C19 | N1 | C21 | 175.8° | 180.0° |
| O20 | C19 | C21 | C22 | 27.6° | 179.7° |
| O20 | C19 | C21 | C30 | 154.9° | 0.0° |
| O20 | C19 | N1 | H1 | 177.0° | 180.0° |
| C3 | N1 | C19 | H1 | 180.0° | 179.6° |
| C3 | N1 | C19 | C21 | 178.9° | 179.7° |
| N1 | C3 | H2 | H3 | 119.5° | 120.0° |
| N1 | C19 | C21 | C22 | 148.3° | 0.3° |
| N1 | C19 | C21 | C30 | 29.2° | 180.0° |
| C19 | N1 | C3 | H2 | 18.4° | 59.7° |
| C19 | N1 | C3 | H3 | 138.1° | 60.4° |
| C19 | C21 | C22 | C30 | 177.6° | 179.7° |
| C19 | C21 | C22 | C24 | 178.0° | 180.0° |
| C19 | C21 | C30 | O31 | 4.0° | 0.0° |
| C19 | C21 | C30 | C28 | 178.3° | 179.8° |
| C21 | C19 | N1 | H1 | 1.1° | 0.0° |
| C19 | C21 | C22 | H8 | 2.0° | 0.1° |
| C21 | C22 | C24 | H8 | 180.0° | 179.9° |
| C21 | C22 | C24 | C26 | 0.2° | 0.0° |
| C22 | C21 | C30 | O31 | 178.5° | 179.7° |
| C22 | C21 | C30 | C28 | 0.8° | 0.5° |
| C21 | C22 | C24 | H9 | 179.8° | 180.0° |
| C24 | C22 | C21 | C30 | 0.4° | 0.3° |
| C22 | C24 | C26 | H9 | 180.0° | 180.0° |
| C22 | C24 | C26 | C28 | 0.4° | 0.0° |
| C22 | C24 | C26 | F27 | 179.9° | 180.0° |
| C21 | C30 | O31 | C28 | 177.7° | 179.8° |
| C21 | C30 | C28 | C26 | 0.9° | 0.5° |
| C21 | C30 | O31 | C32 | 160.0° | 180.0° |
| C30 | C21 | C22 | H8 | 179.6° | 179.8° |
| C21 | C30 | C28 | H10 | 179.1° | 179.7° |
| C24 | C26 | C28 | C30 | 0.8° | 0.2° |
| C24 | C26 | C28 | F27 | 179.7° | 180.0° |
| C26 | C24 | C22 | H8 | 179.8° | 180.0° |
| C24 | C26 | C28 | H10 | 179.3° | 180.0° |
| O36 | C33 | C32 | O31 | 14.2° | 0.0° |
| O36 | C33 | C32 | O34 | 178.7° | 180.0° |
| O36 | C33 | C32 | H11 | 134.1° | 120.0° |
| O36 | C33 | C32 | H12 | 105.7° | 120.0° |
| O36 | C33 | O34 | H13 | 0.0° | 0.0° |
| O31 | C30 | C28 | C26 | 178.6° | 179.8° |
| C30 | O31 | C32 | C33 | 76.8° | 180.0° |
| O31 | C30 | C28 | H10 | 1.5° | 0.1° |
| C30 | O31 | C32 | H11 | 43.1° | 60.0° |
| C30 | O31 | C32 | H12 | 163.2° | 60.0° |
| C30 | C28 | C26 | H10 | 180.0° | 179.8° |
| C30 | C28 | C26 | F27 | 179.5° | 179.8° |
| C28 | C30 | O31 | C32 | 22.3° | 0.2° |
| C28 | C26 | C24 | H9 | 179.6° | 180.0° |
| F27 | C26 | C24 | H9 | 0.1° | 0.0° |
| F27 | C26 | C28 | H10 | 0.5° | 0.0° |
| O31 | C32 | C33 | H11 | 120.0° | 120.0° |
| O31 | C32 | C33 | H12 | 119.9° | 120.0° |
| O31 | C32 | C33 | O34 | 167.1° | 180.0° |
| O31 | C32 | H11 | H12 | 120.2° | 120.0° |
| C33 | C32 | H11 | H12 | 120.2° | 120.0° |
| C32 | C33 | O34 | H13 | 178.6° | 180.0° |
| O34 | C33 | C32 | H11 | 47.2° | 60.0° |
| O34 | C33 | C32 | H12 | 72.9° | 60.0° |
| H1 | N1 | C3 | H2 | 161.6° | 119.9° |
| H1 | N1 | C3 | H3 | 41.9° | 120.0° |
| H4 | C7 | C8 | H5 | 0.2° | 0.0° |
| H5 | C8 | C9 | H6 | 0.5° | 0.0° |
| H6 | C9 | C10 | H7 | 0.4° | 0.0° |
| H8 | C22 | C24 | H9 | 0.2° | 0.0° |
