VFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N9 | sing | 1.47Å | 1.47Å | |
| C11 | N13 | sing | 1.35Å | 1.39Å | |
| C11 | O12 | doub | 1.21Å | 1.23Å | |
| N13 | C14 | sing | 1.47Å | 1.45Å | |
| C6 | O5 | sing | 1.43Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| O5 | C4 | sing | 1.36Å | 1.40Å | |
| N9 | C7 | sing | 1.35Å | 1.40Å | |
| N9 | C15 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| C3 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | N22 | sing | 1.40Å | 1.41Å | |
| N22 | C23 | sing | 1.35Å | 1.37Å | Aromatic |
| N22 | N26 | sing | 1.40Å | 1.34Å | Aromatic |
| C23 | N24 | doub | 1.31Å | 1.32Å | Aromatic |
| N26 | C25 | doub | 1.31Å | 1.33Å | Aromatic |
| N24 | C25 | sing | 1.33Å | 1.37Å | Aromatic |
| C29 | H1 | sing | 1.08Å | 1.08Å | |
| C28 | H2 | sing | 1.08Å | 1.08Å | |
| C30 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C18 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| N13 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 110.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.2° | 109.5° |
| C1 | C2 | H18 | 109.2° | 109.5° |
| C11 | C10 | N9 | 106.8° | 109.5° |
| C10 | C11 | N13 | 113.6° | 120.0° |
| C10 | C11 | O12 | 122.6° | 120.0° |
| C11 | C10 | H21 | 110.1° | 109.5° |
| C11 | C10 | H22 | 110.1° | 109.4° |
| C10 | N9 | C7 | 123.0° | 120.0° |
| C10 | N9 | C15 | 118.3° | 120.0° |
| N9 | C10 | H21 | 110.1° | 109.5° |
| N9 | C10 | H22 | 110.1° | 109.5° |
| N13 | C11 | O12 | 123.8° | 120.0° |
| C11 | N13 | C14 | 119.8° | 120.0° |
| C11 | N13 | H25 | 120.1° | 120.0° |
| N13 | C14 | H14 | 109.5° | 109.4° |
| N13 | C14 | H15 | 109.5° | 109.5° |
| N13 | C14 | H16 | 109.5° | 109.4° |
| C14 | N13 | H25 | 120.1° | 120.0° |
| O5 | C6 | C7 | 110.6° | 109.5° |
| C6 | O5 | C4 | 113.9° | 117.0° |
| O5 | C6 | H23 | 109.2° | 109.5° |
| O5 | C6 | H24 | 109.2° | 109.5° |
| C6 | C7 | N9 | 115.5° | 120.0° |
| C6 | C7 | O8 | 120.7° | 120.0° |
| C7 | C6 | H23 | 109.2° | 109.5° |
| C7 | C6 | H24 | 109.2° | 109.4° |
| O5 | C4 | C3 | 115.6° | 120.0° |
| O5 | C4 | C27 | 124.3° | 120.1° |
| C7 | N9 | C15 | 118.6° | 120.0° |
| N9 | C7 | O8 | 123.7° | 120.0° |
| N9 | C15 | C16 | 114.9° | 109.4° |
| N9 | C15 | H19 | 108.1° | 109.5° |
| N9 | C15 | H20 | 108.1° | 109.4° |
| C2 | C3 | C4 | 119.3° | 120.1° |
| C2 | C3 | C30 | 121.1° | 120.0° |
| C3 | C2 | H17 | 109.2° | 109.5° |
| C3 | C2 | H18 | 109.2° | 109.4° |
| C3 | C4 | C27 | 120.1° | 119.9° |
| C4 | C3 | C30 | 119.6° | 119.9° |
| C4 | C27 | C28 | 120.4° | 120.0° |
| C4 | C27 | H8 | 119.8° | 120.0° |
| C3 | C30 | C29 | 119.6° | 120.0° |
| C3 | C30 | H3 | 120.2° | 120.0° |
| C27 | C28 | C29 | 119.1° | 120.0° |
| C27 | C28 | H2 | 120.4° | 120.0° |
| C28 | C27 | H8 | 119.8° | 120.0° |
| C15 | C16 | C21 | 119.7° | 119.9° |
| C15 | C16 | C17 | 122.0° | 120.0° |
| C16 | C15 | H19 | 108.1° | 109.5° |
| C16 | C15 | H20 | 108.1° | 109.5° |
| C30 | C29 | C28 | 121.1° | 120.1° |
| C30 | C29 | H1 | 119.5° | 119.9° |
| C29 | C30 | H3 | 120.2° | 120.0° |
| C28 | C29 | H1 | 119.4° | 120.0° |
| C29 | C28 | H2 | 120.4° | 120.0° |
| C21 | C16 | C17 | 118.3° | 120.1° |
| C16 | C21 | C20 | 121.8° | 120.1° |
| C16 | C21 | H5 | 119.1° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.1° |
| C16 | C17 | H4 | 120.1° | 119.9° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C20 | C21 | H5 | 119.1° | 120.0° |
| C21 | C20 | H7 | 119.8° | 120.1° |
| C17 | C18 | C19 | 121.4° | 119.9° |
| C18 | C17 | H4 | 120.1° | 120.0° |
| C17 | C18 | H6 | 119.3° | 120.1° |
| C20 | C19 | C18 | 118.5° | 119.9° |
| C20 | C19 | N22 | 118.2° | 120.1° |
| C19 | C20 | H7 | 119.9° | 120.0° |
| C18 | C19 | N22 | 123.3° | 120.0° |
| C19 | C18 | H6 | 119.3° | 120.0° |
| C19 | N22 | C23 | 127.4° | 126.8° |
| C19 | N22 | N26 | 122.8° | 126.9° |
| C23 | N22 | N26 | 109.7° | 106.3° |
| N22 | C23 | N24 | 110.7° | 108.0° |
| N22 | C23 | H10 | 124.7° | 126.0° |
| N22 | N26 | C25 | 102.3° | 106.9° |
| C23 | N24 | C25 | 101.7° | 109.9° |
| N24 | C23 | H10 | 124.7° | 126.0° |
| N26 | C25 | N24 | 115.6° | 109.0° |
| N26 | C25 | H9 | 122.2° | 125.5° |
| N24 | C25 | H9 | 122.2° | 125.5° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.5° |
| H14 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C2 | H18 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.4° | 109.5° |
| H21 | C10 | H22 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H17 | 120.1° | 120.1° |
| C1 | C2 | C3 | H18 | 120.2° | 120.0° |
| C1 | C2 | C3 | C4 | 83.5° | 85.0° |
| C1 | C2 | C3 | C30 | 95.9° | 95.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | H17 | H18 | 119.5° | 120.0° |
| C11 | C10 | N9 | H21 | 119.6° | 120.1° |
| C11 | C10 | N9 | H22 | 119.6° | 120.0° |
| C10 | C11 | N13 | O12 | 178.8° | 179.9° |
| C10 | C11 | N13 | C14 | 179.0° | 180.0° |
| C11 | C10 | N9 | C7 | 94.3° | 90.0° |
| C11 | C10 | N9 | C15 | 89.3° | 90.0° |
| C11 | C10 | H21 | H22 | 121.2° | 120.0° |
| C10 | C11 | N13 | H25 | 0.9° | 0.0° |
| N9 | C10 | C11 | N13 | 110.1° | 180.0° |
| N9 | C10 | C11 | O12 | 68.6° | 0.1° |
| C10 | N9 | C7 | C6 | 0.2° | 0.0° |
| C10 | N9 | C7 | C15 | 176.4° | 180.0° |
| C10 | N9 | C7 | O8 | 177.4° | 180.0° |
| C10 | N9 | C15 | C16 | 78.0° | 90.0° |
| C10 | N9 | C15 | H19 | 161.2° | 30.0° |
| C10 | N9 | C15 | H20 | 42.8° | 150.0° |
| N9 | C10 | H21 | H22 | 121.2° | 120.0° |
| C11 | N13 | C14 | H25 | 180.0° | 180.0° |
| C11 | N13 | C14 | H14 | 180.0° | 180.0° |
| C11 | N13 | C14 | H15 | 60.0° | 60.0° |
| C11 | N13 | C14 | H16 | 60.0° | 60.0° |
| N13 | C11 | C10 | H21 | 130.3° | 60.0° |
| N13 | C11 | C10 | H22 | 9.4° | 60.0° |
| O12 | C11 | N13 | C14 | 0.3° | 0.1° |
| O12 | C11 | C10 | H21 | 50.9° | 120.0° |
| O12 | C11 | C10 | H22 | 171.8° | 120.0° |
| O12 | C11 | N13 | H25 | 179.7° | 179.9° |
| N13 | C14 | H14 | H15 | 120.0° | 120.0° |
| N13 | C14 | H14 | H16 | 120.0° | 120.0° |
| N13 | C14 | H15 | H16 | 120.0° | 119.9° |
| O5 | C6 | C7 | H23 | 120.2° | 120.0° |
| O5 | C6 | C7 | H24 | 120.2° | 120.0° |
| O5 | C6 | C7 | N9 | 171.5° | 180.0° |
| C6 | O5 | C4 | C3 | 174.0° | 180.0° |
| C6 | O5 | C4 | C27 | 7.6° | 0.3° |
| O5 | C6 | C7 | O8 | 11.3° | 0.0° |
| O5 | C6 | H23 | H24 | 119.5° | 120.0° |
| C7 | C6 | O5 | C4 | 78.8° | 179.9° |
| C6 | C7 | N9 | O8 | 177.1° | 180.0° |
| C6 | C7 | N9 | C15 | 176.1° | 180.0° |
| C7 | C6 | H23 | H24 | 119.5° | 120.0° |
| O5 | C4 | C3 | C2 | 2.7° | 0.0° |
| O5 | C4 | C3 | C27 | 178.5° | 179.7° |
| O5 | C4 | C3 | C30 | 177.9° | 180.0° |
| O5 | C4 | C27 | C28 | 178.0° | 180.0° |
| O5 | C4 | C27 | H8 | 2.0° | 0.1° |
| C4 | O5 | C6 | H23 | 161.1° | 60.0° |
| C4 | O5 | C6 | H24 | 41.4° | 60.0° |
| C7 | N9 | C15 | C16 | 105.5° | 90.0° |
| C7 | N9 | C15 | H19 | 15.4° | 150.0° |
| C7 | N9 | C15 | H20 | 133.7° | 30.0° |
| C7 | N9 | C10 | H21 | 25.2° | 30.0° |
| C7 | N9 | C10 | H22 | 146.1° | 150.0° |
| N9 | C7 | C6 | H23 | 68.3° | 59.9° |
| N9 | C7 | C6 | H24 | 51.3° | 60.0° |
| C15 | N9 | C7 | O8 | 1.0° | 0.0° |
| N9 | C15 | C16 | H19 | 120.8° | 120.0° |
| N9 | C15 | C16 | H20 | 120.8° | 120.0° |
| N9 | C15 | C16 | C21 | 34.8° | 90.1° |
| N9 | C15 | C16 | C17 | 144.1° | 90.0° |
| N9 | C15 | H19 | H20 | 117.5° | 120.0° |
| C15 | N9 | C10 | H21 | 151.1° | 150.0° |
| C15 | N9 | C10 | H22 | 30.2° | 30.0° |
| C2 | C3 | C4 | C30 | 179.4° | 180.0° |
| C2 | C3 | C4 | C27 | 178.9° | 179.7° |
| C2 | C3 | C30 | C29 | 179.5° | 180.0° |
| C2 | C3 | C30 | H3 | 0.5° | 0.0° |
| C3 | C2 | C1 | H11 | 180.0° | 59.9° |
| C3 | C2 | C1 | H12 | 60.0° | 60.0° |
| C3 | C2 | C1 | H13 | 60.0° | 180.0° |
| C3 | C2 | H17 | H18 | 119.5° | 119.9° |
| C3 | C4 | C27 | C28 | 0.3° | 0.3° |
| C4 | C3 | C30 | C29 | 0.1° | 0.0° |
| C4 | C3 | C30 | H3 | 179.9° | 180.0° |
| C3 | C4 | C27 | H8 | 179.7° | 179.8° |
| C4 | C3 | C2 | H17 | 156.3° | 154.9° |
| C4 | C3 | C2 | H18 | 36.6° | 35.0° |
| C27 | C4 | C3 | C30 | 0.5° | 0.3° |
| C4 | C27 | C28 | H8 | 180.0° | 180.0° |
| C4 | C27 | C28 | C29 | 0.5° | 0.0° |
| C4 | C27 | C28 | H2 | 179.5° | 180.0° |
| O8 | C7 | C6 | H23 | 108.9° | 120.1° |
| O8 | C7 | C6 | H24 | 131.4° | 120.0° |
| C3 | C30 | C29 | H3 | 180.0° | 179.9° |
| C3 | C30 | C29 | C28 | 1.0° | 0.2° |
| C3 | C30 | C29 | H1 | 179.0° | 180.0° |
| C30 | C3 | C2 | H17 | 24.3° | 25.1° |
| C30 | C3 | C2 | H18 | 144.0° | 145.0° |
| C27 | C28 | C29 | C30 | 1.2° | 0.2° |
| C27 | C28 | C29 | H2 | 180.0° | 180.0° |
| C27 | C28 | C29 | H1 | 178.8° | 180.0° |
| C15 | C16 | C21 | C17 | 179.0° | 180.0° |
| C15 | C16 | C21 | C20 | 179.0° | 179.4° |
| C15 | C16 | C17 | C18 | 178.6° | 180.0° |
| C15 | C16 | C17 | H4 | 1.4° | 0.3° |
| C15 | C16 | C21 | H5 | 1.1° | 0.2° |
| C16 | C15 | H19 | H20 | 117.5° | 120.1° |
| C30 | C29 | C28 | H1 | 180.0° | 179.8° |
| C30 | C29 | C28 | H2 | 178.8° | 179.8° |
| C28 | C29 | C30 | H3 | 179.0° | 179.7° |
| C29 | C28 | C27 | H8 | 179.5° | 180.0° |
| C16 | C21 | C20 | H5 | 180.0° | 179.2° |
| C21 | C16 | C17 | C18 | 0.4° | 0.0° |
| C16 | C21 | C20 | C19 | 0.4° | 0.8° |
| C21 | C16 | C17 | H4 | 179.6° | 179.8° |
| C16 | C21 | C20 | H7 | 179.6° | 179.2° |
| C21 | C16 | C15 | H19 | 86.0° | 150.0° |
| C21 | C16 | C15 | H20 | 155.7° | 29.9° |
| C17 | C16 | C21 | C20 | 0.0° | 0.5° |
| C16 | C17 | C18 | H4 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C16 | C21 | H5 | 179.9° | 179.7° |
| C16 | C17 | C18 | H6 | 179.6° | 179.7° |
| C17 | C16 | C15 | H19 | 95.1° | 30.0° |
| C17 | C16 | C15 | H20 | 23.3° | 150.0° |
| C21 | C20 | C19 | H7 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.5° |
| C21 | C20 | C19 | N22 | 178.7° | 179.5° |
| C17 | C18 | C19 | C20 | 0.0° | 0.0° |
| C17 | C18 | C19 | H6 | 180.0° | 180.0° |
| C17 | C18 | C19 | N22 | 179.0° | 180.0° |
| C20 | C19 | C18 | N22 | 179.0° | 180.0° |
| C20 | C19 | N22 | C23 | 0.5° | 0.0° |
| C20 | C19 | N22 | N26 | 174.7° | 180.0° |
| C19 | C20 | C21 | H5 | 179.7° | 180.0° |
| C20 | C19 | C18 | H6 | 180.0° | 180.0° |
| C18 | C19 | N22 | C23 | 178.5° | 180.0° |
| C18 | C19 | N22 | N26 | 6.3° | 0.0° |
| C19 | C18 | C17 | H4 | 179.6° | 180.0° |
| C18 | C19 | C20 | H7 | 179.6° | 179.5° |
| C19 | N22 | C23 | N26 | 175.7° | 180.0° |
| C19 | N22 | C23 | N24 | 174.8° | 180.0° |
| C19 | N22 | N26 | C25 | 175.3° | 179.9° |
| N22 | C19 | C18 | H6 | 1.0° | 0.0° |
| N22 | C19 | C20 | H7 | 1.3° | 0.5° |
| C19 | N22 | C23 | H10 | 5.2° | 0.2° |
| N22 | C23 | N24 | H10 | 180.0° | 179.8° |
| C23 | N22 | N26 | C25 | 0.7° | 0.1° |
| N22 | C23 | N24 | C25 | 0.7° | 0.2° |
| N26 | N22 | C23 | N24 | 0.9° | 0.1° |
| N22 | N26 | C25 | N24 | 0.2° | 0.2° |
| N22 | N26 | C25 | H9 | 179.8° | 180.0° |
| N26 | N22 | C23 | H10 | 179.1° | 179.8° |
| C23 | N24 | C25 | N26 | 0.3° | 0.3° |
| C23 | N24 | C25 | H9 | 179.7° | 180.0° |
| N26 | C25 | N24 | H9 | 180.0° | 179.8° |
| C25 | N24 | C23 | H10 | 179.3° | 180.0° |
| H1 | C29 | C28 | H2 | 1.2° | 0.0° |
| H1 | C29 | C30 | H3 | 1.0° | 0.1° |
| H2 | C28 | C27 | H8 | 0.5° | 0.0° |
| H4 | C17 | C18 | H6 | 0.4° | 0.0° |
| H5 | C21 | C20 | H7 | 0.3° | 0.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | H17 | 59.8° | 180.0° |
| H11 | C1 | C2 | H18 | 59.8° | 60.0° |
| H12 | C1 | C2 | H17 | 60.2° | 60.1° |
| H12 | C1 | C2 | H18 | 179.9° | 180.0° |
| H13 | C1 | C2 | H17 | 179.8° | 59.9° |
| H13 | C1 | C2 | H18 | 60.2° | 60.1° |
| H14 | C14 | H15 | H16 | 120.0° | 120.1° |
| H14 | C14 | N13 | H25 | 0.0° | 0.0° |
| H15 | C14 | N13 | H25 | 120.0° | 120.0° |
| H16 | C14 | N13 | H25 | 120.0° | 120.1° |
