VFC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F32 | C29 | sing | 1.35Å | 1.33Å | |
| C29 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C29 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.37Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.38Å | Aromatic |
| C27 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | N30 | sing | 1.37Å | 1.34Å | Aromatic |
| N30 | C33 | sing | 1.46Å | 1.47Å | |
| N30 | N31 | sing | 1.40Å | 1.26Å | Aromatic |
| N31 | C23 | doub | 1.31Å | 1.35Å | Aromatic |
| C23 | C5 | sing | 1.48Å | 1.48Å | |
| C5 | N3 | doub | 1.33Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| N3 | C1 | sing | 1.33Å | 1.38Å | Aromatic |
| C6 | N4 | doub | 1.32Å | 1.40Å | Aromatic |
| N4 | C2 | sing | 1.33Å | 1.38Å | Aromatic |
| C2 | N7 | sing | 1.38Å | 1.33Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.36Å | Aromatic |
| N7 | C8 | sing | 1.35Å | 1.35Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | C1 | sing | 1.47Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.48Å | |
| C10 | O11 | doub | 1.22Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.38Å | |
| N12 | C13 | sing | 1.47Å | 1.45Å | |
| C13 | C22 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | O21 | doub | 1.21Å | 1.22Å | |
| C14 | N15 | sing | 1.35Å | 1.38Å | |
| N15 | C17 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C16 | sing | 1.54Å | 1.52Å | |
| C18 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | N20 | trip | 1.14Å | 1.15Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F32 | C29 | C28 | 119.4° | 119.7° |
| F32 | C29 | C27 | 120.1° | 119.7° |
| C28 | C29 | C27 | 120.6° | 120.6° |
| C29 | C28 | C26 | 120.5° | 120.6° |
| C29 | C28 | H28 | 119.8° | 119.7° |
| C29 | C27 | C25 | 117.6° | 119.7° |
| C29 | C27 | H27 | 121.2° | 120.2° |
| C28 | C26 | C24 | 118.4° | 119.8° |
| C26 | C28 | H28 | 119.7° | 119.8° |
| C28 | C26 | H26 | 120.8° | 120.1° |
| C26 | C24 | C25 | 120.6° | 119.9° |
| C26 | C24 | C23 | 133.7° | 133.8° |
| C24 | C26 | H26 | 120.8° | 120.1° |
| C25 | C24 | C23 | 105.6° | 106.3° |
| C24 | C25 | C27 | 122.2° | 119.5° |
| C24 | C25 | N30 | 107.5° | 107.0° |
| C24 | C23 | N31 | 106.6° | 107.6° |
| C24 | C23 | C5 | 130.0° | 126.2° |
| C27 | C25 | N30 | 130.3° | 133.6° |
| C25 | C27 | H27 | 121.2° | 120.2° |
| C25 | N30 | C33 | 125.5° | 125.4° |
| C25 | N30 | N31 | 110.3° | 109.2° |
| C33 | N30 | N31 | 124.2° | 125.4° |
| N30 | C33 | H331 | 109.5° | 109.5° |
| N30 | C33 | H332 | 109.5° | 109.5° |
| N30 | C33 | H333 | 109.4° | 109.5° |
| N30 | N31 | C23 | 110.0° | 110.0° |
| N31 | C23 | C5 | 123.4° | 126.2° |
| C23 | C5 | N3 | 121.8° | 120.0° |
| C23 | C5 | C6 | 118.8° | 120.0° |
| N3 | C5 | C6 | 119.4° | 120.0° |
| C5 | N3 | C1 | 118.6° | 119.6° |
| C5 | C6 | N4 | 121.4° | 120.5° |
| C5 | C6 | H6 | 119.3° | 119.7° |
| N3 | C1 | C2 | 121.2° | 120.3° |
| N3 | C1 | C9 | 130.9° | 133.9° |
| C6 | N4 | C2 | 117.3° | 120.1° |
| N4 | C6 | H6 | 119.3° | 119.8° |
| N4 | C2 | N7 | 129.5° | 133.0° |
| N4 | C2 | C1 | 121.9° | 119.6° |
| N7 | C2 | C1 | 108.6° | 107.4° |
| C2 | N7 | C8 | 108.7° | 110.5° |
| C2 | N7 | H7 | 125.6° | 124.7° |
| C2 | C1 | C9 | 107.8° | 105.8° |
| N7 | C8 | C9 | 109.0° | 109.8° |
| C8 | N7 | H7 | 125.7° | 124.8° |
| N7 | C8 | H8 | 125.5° | 125.1° |
| C8 | C9 | C1 | 105.8° | 106.5° |
| C8 | C9 | C10 | 125.5° | 126.8° |
| C9 | C8 | H8 | 125.5° | 125.1° |
| C1 | C9 | C10 | 128.6° | 126.8° |
| C9 | C10 | O11 | 121.0° | 120.0° |
| C9 | C10 | N12 | 117.5° | 120.0° |
| O11 | C10 | N12 | 121.4° | 120.0° |
| C10 | N12 | C13 | 126.9° | 120.1° |
| C10 | N12 | H12 | 116.5° | 120.0° |
| N12 | C13 | C22 | 106.5° | 109.5° |
| N12 | C13 | C14 | 112.7° | 109.5° |
| C13 | N12 | H12 | 116.6° | 119.9° |
| N12 | C13 | H13 | 111.5° | 109.4° |
| C22 | C13 | C14 | 104.6° | 109.5° |
| C22 | C13 | H13 | 110.6° | 109.5° |
| C13 | C22 | H221 | 109.5° | 109.5° |
| C13 | C22 | H222 | 109.5° | 109.5° |
| C13 | C22 | H223 | 109.4° | 109.5° |
| C13 | C14 | O21 | 119.8° | 120.0° |
| C13 | C14 | N15 | 118.9° | 120.0° |
| C14 | C13 | H13 | 110.8° | 109.4° |
| O21 | C14 | N15 | 121.2° | 120.0° |
| C14 | N15 | C17 | 134.8° | 136.0° |
| C14 | N15 | C16 | 133.9° | 136.0° |
| C17 | N15 | C16 | 91.3° | 87.9° |
| N15 | C17 | C18 | 90.8° | 88.0° |
| N15 | C17 | H171 | 113.9° | 113.5° |
| N15 | C17 | H172 | 113.9° | 113.5° |
| N15 | C16 | C18 | 90.4° | 87.9° |
| N15 | C16 | H161 | 114.0° | 113.5° |
| N15 | C16 | H162 | 114.0° | 113.5° |
| C17 | C18 | C16 | 87.5° | 83.3° |
| C17 | C18 | C19 | 114.0° | 114.2° |
| C18 | C17 | H171 | 113.9° | 113.4° |
| C18 | C17 | H172 | 113.9° | 113.4° |
| C17 | C18 | H18 | 113.7° | 114.2° |
| C16 | C18 | C19 | 110.8° | 114.1° |
| C18 | C16 | H161 | 114.0° | 113.4° |
| C18 | C16 | H162 | 114.0° | 113.6° |
| C16 | C18 | H18 | 113.5° | 114.3° |
| C18 | C19 | N20 | 177.8° | 179.9° |
| C19 | C18 | H18 | 114.6° | 113.4° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H331 | C33 | H333 | 109.4° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 112.8° |
| H161 | C16 | H162 | 109.4° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F32 | C29 | C28 | C27 | 179.4° | 179.7° |
| F32 | C29 | C28 | C26 | 179.3° | 180.0° |
| F32 | C29 | C27 | C25 | 179.7° | 179.8° |
| F32 | C29 | C28 | H28 | 0.7° | 0.0° |
| F32 | C29 | C27 | H27 | 0.3° | 0.1° |
| C29 | C28 | C26 | H28 | 180.0° | 179.9° |
| C29 | C28 | C26 | C24 | 0.3° | 0.1° |
| C28 | C29 | C27 | C25 | 0.3° | 0.5° |
| C28 | C29 | C27 | H27 | 179.7° | 179.7° |
| C29 | C28 | C26 | H26 | 179.7° | 180.0° |
| C27 | C29 | C28 | C26 | 0.0° | 0.3° |
| C29 | C27 | C25 | C24 | 0.4° | 0.4° |
| C29 | C27 | C25 | H27 | 180.0° | 179.8° |
| C29 | C27 | C25 | N30 | 179.4° | 179.9° |
| C27 | C29 | C28 | H28 | 179.9° | 179.8° |
| C28 | C26 | C24 | H26 | 180.0° | 180.0° |
| C28 | C26 | C24 | C25 | 0.2° | 0.0° |
| C28 | C26 | C24 | C23 | 179.1° | 179.9° |
| C26 | C24 | C25 | C23 | 179.5° | 180.0° |
| C26 | C24 | C25 | C27 | 0.1° | 0.2° |
| C26 | C24 | C25 | N30 | 179.7° | 180.0° |
| C26 | C24 | C23 | N31 | 179.8° | 180.0° |
| C26 | C24 | C23 | C5 | 0.7° | 0.0° |
| C24 | C26 | C28 | H28 | 179.7° | 180.0° |
| C24 | C25 | C27 | N30 | 179.8° | 179.7° |
| C24 | C25 | N30 | C33 | 179.8° | 180.0° |
| C24 | C25 | N30 | N31 | 0.2° | 0.0° |
| C25 | C24 | C23 | N31 | 0.5° | 0.0° |
| C25 | C24 | C23 | C5 | 180.0° | 180.0° |
| C24 | C25 | C27 | H27 | 179.6° | 179.7° |
| C25 | C24 | C26 | H26 | 179.8° | 180.0° |
| C23 | C24 | C25 | C27 | 179.6° | 179.7° |
| C23 | C24 | C25 | N30 | 0.2° | 0.0° |
| C24 | C23 | N31 | N30 | 0.6° | 0.0° |
| C24 | C23 | N31 | C5 | 179.5° | 180.0° |
| C24 | C23 | C5 | N3 | 7.9° | 25.0° |
| C24 | C23 | C5 | C6 | 172.2° | 154.7° |
| C23 | C24 | C26 | H26 | 0.9° | 0.1° |
| C27 | C25 | N30 | C33 | 0.4° | 0.3° |
| C27 | C25 | N30 | N31 | 180.0° | 179.7° |
| C25 | N30 | C33 | N31 | 179.5° | 179.9° |
| C25 | N30 | N31 | C23 | 0.5° | 0.0° |
| N30 | C25 | C27 | H27 | 0.7° | 0.0° |
| C25 | N30 | C33 | H331 | 179.5° | 90.1° |
| C25 | N30 | C33 | H332 | 60.5° | 150.0° |
| C25 | N30 | C33 | H333 | 59.6° | 30.0° |
| C33 | N30 | N31 | C23 | 179.9° | 180.0° |
| N30 | C33 | H331 | H332 | 120.0° | 120.0° |
| N30 | C33 | H331 | H333 | 120.0° | 120.0° |
| N30 | C33 | H332 | H333 | 120.0° | 120.0° |
| N30 | N31 | C23 | C5 | 179.9° | 180.0° |
| N31 | N30 | C33 | H331 | 0.0° | 90.0° |
| N31 | N30 | C33 | H332 | 120.0° | 29.9° |
| N31 | N30 | C33 | H333 | 120.0° | 150.0° |
| N31 | C23 | C5 | N3 | 171.5° | 155.0° |
| N31 | C23 | C5 | C6 | 8.4° | 25.3° |
| C23 | C5 | N3 | C6 | 179.9° | 179.7° |
| C23 | C5 | N3 | C1 | 179.7° | 180.0° |
| C23 | C5 | C6 | N4 | 179.6° | 180.0° |
| C23 | C5 | C6 | H6 | 0.4° | 0.0° |
| N3 | C5 | C6 | N4 | 0.3° | 0.3° |
| C5 | N3 | C1 | C2 | 0.0° | 0.1° |
| C5 | N3 | C1 | C9 | 178.6° | 179.6° |
| N3 | C5 | C6 | H6 | 179.7° | 179.8° |
| C6 | C5 | N3 | C1 | 0.2° | 0.3° |
| C5 | C6 | N4 | H6 | 180.0° | 180.0° |
| C5 | C6 | N4 | C2 | 0.3° | 0.0° |
| N3 | C1 | C2 | N4 | 0.0° | 0.2° |
| N3 | C1 | C2 | N7 | 179.9° | 180.0° |
| N3 | C1 | C2 | C9 | 178.9° | 179.7° |
| N3 | C1 | C9 | C8 | 179.9° | 180.0° |
| N3 | C1 | C9 | C10 | 3.9° | 0.2° |
| C6 | N4 | C2 | N7 | 179.7° | 180.0° |
| C6 | N4 | C2 | C1 | 0.1° | 0.2° |
| N4 | C2 | N7 | C1 | 179.9° | 179.8° |
| N4 | C2 | N7 | C8 | 179.6° | 180.0° |
| N4 | C2 | C1 | C9 | 178.9° | 179.9° |
| C2 | N4 | C6 | H6 | 179.7° | 180.0° |
| N4 | C2 | N7 | H7 | 0.4° | 0.0° |
| C2 | N7 | C8 | H7 | 180.0° | 179.9° |
| C2 | N7 | C8 | C9 | 0.4° | 0.0° |
| N7 | C2 | C1 | C9 | 1.2° | 0.3° |
| C2 | N7 | C8 | H8 | 179.6° | 180.0° |
| C1 | C2 | N7 | C8 | 0.5° | 0.2° |
| C2 | C1 | C9 | C8 | 1.4° | 0.3° |
| C2 | C1 | C9 | C10 | 177.4° | 179.9° |
| C1 | C2 | N7 | H7 | 179.5° | 179.8° |
| N7 | C8 | C9 | H8 | 180.0° | 180.0° |
| N7 | C8 | C9 | C1 | 1.1° | 0.2° |
| N7 | C8 | C9 | C10 | 177.2° | 180.0° |
| C8 | C9 | C1 | C10 | 176.0° | 179.8° |
| C8 | C9 | C10 | O11 | 3.7° | 180.0° |
| C8 | C9 | C10 | N12 | 172.6° | 0.0° |
| C9 | C8 | N7 | H7 | 179.6° | 180.0° |
| C1 | C9 | C10 | O11 | 179.0° | 0.2° |
| C1 | C9 | C10 | N12 | 2.6° | 179.8° |
| C1 | C9 | C8 | H8 | 178.9° | 179.8° |
| C9 | C10 | O11 | N12 | 176.2° | 179.9° |
| C9 | C10 | N12 | C13 | 177.2° | 180.0° |
| C10 | C9 | C8 | H8 | 2.8° | 0.1° |
| C9 | C10 | N12 | H12 | 2.8° | 0.0° |
| O11 | C10 | N12 | C13 | 0.9° | 0.0° |
| O11 | C10 | N12 | H12 | 179.1° | 180.0° |
| C10 | N12 | C13 | H12 | 180.0° | 180.0° |
| C10 | N12 | C13 | C22 | 124.2° | 85.0° |
| C10 | N12 | C13 | C14 | 121.8° | 155.0° |
| C10 | N12 | C13 | H13 | 3.5° | 35.0° |
| N12 | C13 | C22 | C14 | 119.5° | 120.0° |
| N12 | C13 | C22 | H13 | 121.2° | 120.0° |
| N12 | C13 | C14 | H13 | 125.7° | 119.9° |
| N12 | C13 | C14 | O21 | 41.3° | 0.0° |
| N12 | C13 | C14 | N15 | 140.5° | 179.9° |
| N12 | C13 | C22 | H221 | 180.0° | 60.1° |
| N12 | C13 | C22 | H222 | 60.0° | 60.0° |
| N12 | C13 | C22 | H223 | 60.0° | 180.0° |
| C22 | C13 | C14 | H13 | 119.1° | 120.0° |
| C22 | C13 | C14 | O21 | 74.0° | 120.0° |
| C22 | C13 | C14 | N15 | 104.2° | 60.0° |
| C22 | C13 | N12 | H12 | 55.9° | 95.0° |
| C13 | C22 | H221 | H222 | 120.0° | 120.0° |
| C13 | C22 | H221 | H223 | 120.0° | 120.0° |
| C13 | C22 | H222 | H223 | 120.0° | 120.0° |
| C13 | C14 | O21 | N15 | 178.1° | 180.0° |
| C13 | C14 | N15 | C17 | 2.1° | 180.0° |
| C13 | C14 | N15 | C16 | 179.3° | 0.4° |
| C14 | C13 | N12 | H12 | 58.2° | 25.0° |
| C14 | C13 | C22 | H221 | 60.5° | 60.0° |
| C14 | C13 | C22 | H222 | 59.5° | 180.0° |
| C14 | C13 | C22 | H223 | 179.5° | 60.0° |
| O21 | C14 | N15 | C17 | 179.7° | 0.1° |
| O21 | C14 | N15 | C16 | 1.2° | 179.7° |
| O21 | C14 | C13 | H13 | 166.9° | 120.0° |
| C14 | N15 | C17 | C16 | 179.0° | 179.7° |
| C14 | N15 | C17 | C18 | 179.5° | 153.0° |
| C14 | N15 | C16 | C18 | 179.5° | 153.0° |
| N15 | C14 | C13 | H13 | 14.9° | 60.0° |
| C14 | N15 | C17 | H171 | 63.8° | 38.2° |
| C14 | N15 | C17 | H172 | 62.7° | 92.3° |
| C14 | N15 | C16 | H161 | 62.8° | 92.3° |
| C14 | N15 | C16 | H162 | 63.8° | 38.1° |
| N15 | C17 | C18 | H171 | 116.7° | 114.8° |
| N15 | C17 | C18 | H172 | 116.7° | 114.8° |
| C17 | N15 | C16 | C18 | 0.5° | 27.3° |
| N15 | C17 | C18 | C19 | 112.1° | 139.7° |
| N15 | C17 | H171 | H172 | 128.8° | 130.9° |
| C17 | N15 | C16 | H161 | 116.2° | 87.4° |
| C17 | N15 | C16 | H162 | 117.2° | 142.2° |
| N15 | C17 | C18 | H18 | 114.1° | 87.5° |
| N15 | C16 | C18 | H161 | 116.7° | 114.7° |
| N15 | C16 | C18 | H162 | 116.7° | 114.8° |
| N15 | C16 | C18 | C19 | 115.2° | 139.8° |
| C16 | N15 | C17 | H171 | 117.2° | 142.1° |
| C16 | N15 | C17 | H172 | 116.2° | 87.4° |
| N15 | C16 | H161 | H162 | 129.0° | 130.8° |
| N15 | C16 | C18 | H18 | 114.3° | 87.4° |
| C17 | C18 | C16 | C19 | 114.7° | 113.6° |
| C17 | C18 | C16 | H18 | 114.8° | 113.6° |
| C17 | C18 | C19 | H18 | 133.4° | 133.2° |
| C17 | C18 | C19 | N20 | 9.5° | 90.5° |
| C18 | C17 | H171 | H172 | 128.9° | 130.7° |
| C17 | C18 | C16 | H161 | 116.2° | 88.5° |
| C17 | C18 | C16 | H162 | 117.2° | 141.0° |
| C16 | C18 | C19 | H18 | 129.9° | 133.3° |
| C16 | C18 | C19 | N20 | 106.2° | 3.0° |
| C16 | C18 | C17 | H171 | 117.2° | 141.0° |
| C16 | C18 | C17 | H172 | 116.2° | 88.6° |
| C18 | C16 | H161 | H162 | 129.0° | 130.9° |
| C19 | C18 | C17 | H171 | 131.1° | 105.5° |
| C19 | C18 | C17 | H172 | 4.6° | 24.9° |
| C19 | C18 | C16 | H161 | 1.4° | 25.1° |
| C19 | C18 | C16 | H162 | 128.1° | 105.4° |
| N20 | C19 | C18 | H18 | 123.8° | 136.3° |
| H28 | C28 | C26 | H26 | 0.3° | 0.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| H7 | N7 | C8 | H8 | 0.4° | 0.0° |
| H12 | N12 | C13 | H13 | 176.5° | 145.0° |
| H13 | C13 | C22 | H221 | 58.8° | 180.0° |
| H13 | C13 | C22 | H222 | 178.8° | 60.0° |
| H13 | C13 | C22 | H223 | 61.2° | 60.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H171 | C17 | C18 | H18 | 2.7° | 27.3° |
| H172 | C17 | C18 | H18 | 129.2° | 157.7° |
| H161 | C16 | C18 | H18 | 129.1° | 157.9° |
| H162 | C16 | C18 | H18 | 2.4° | 27.4° |
