AV5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C16 | sing | 1.74Å | 1.74Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C20 | sing | 1.51Å | 1.50Å | |
| C13 | C11 | doub | 1.39Å | 1.43Å | Aromatic |
| C14 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | N19 | doub | 1.30Å | 1.31Å | |
| C20 | N18 | sing | 1.36Å | 1.39Å | |
| N19 | C8 | sing | 1.34Å | 1.35Å | |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.47Å | |
| C23 | N18 | sing | 1.46Å | 1.45Å | |
| C23 | C24 | sing | 1.51Å | 1.47Å | |
| N18 | C17 | sing | 1.36Å | 1.35Å | |
| C8 | C10 | doub | 1.46Å | 1.48Å | Aromatic |
| C8 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | O25 | doub | 1.21Å | 1.28Å | |
| C24 | O26 | sing | 1.34Å | 1.24Å | |
| C10 | N9 | sing | 1.31Å | 1.33Å | Aromatic |
| C17 | C7 | sing | 1.46Å | 1.41Å | |
| C17 | O21 | doub | 1.22Å | 1.28Å | |
| C7 | C1 | doub | 1.46Å | 1.43Å | Aromatic |
| N9 | C2 | doub | 1.34Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.43Å | Aromatic |
| C2 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C5 | doub | 1.36Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C23 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| O26 | H14 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C16 | C15 | 116.0° | 119.9° |
| CL1 | C16 | C14 | 123.3° | 119.8° |
| C16 | C15 | C13 | 117.8° | 120.1° |
| C15 | C16 | C14 | 120.2° | 120.3° |
| C16 | C15 | H3 | 121.1° | 119.9° |
| C15 | C13 | C11 | 122.5° | 119.9° |
| C13 | C15 | H3 | 121.1° | 120.0° |
| C15 | C13 | H4 | 118.7° | 120.1° |
| C16 | C14 | C12 | 120.8° | 120.1° |
| C16 | C14 | H1 | 119.6° | 120.0° |
| C22 | C20 | N19 | 121.2° | 118.3° |
| C22 | C20 | N18 | 121.2° | 118.3° |
| C20 | C22 | H9 | 109.5° | 109.5° |
| C20 | C22 | H10 | 109.5° | 109.5° |
| C20 | C22 | H11 | 109.4° | 109.5° |
| C13 | C11 | C12 | 116.7° | 119.7° |
| C13 | C11 | C10 | 121.7° | 120.1° |
| C11 | C13 | H4 | 118.8° | 120.1° |
| C14 | C12 | C11 | 121.6° | 119.9° |
| C12 | C14 | H1 | 119.6° | 119.9° |
| C14 | C12 | H2 | 119.2° | 120.0° |
| N19 | C20 | N18 | 117.5° | 123.4° |
| C20 | N19 | C8 | 119.9° | 121.6° |
| C20 | N18 | C23 | 122.1° | 119.8° |
| C20 | N18 | C17 | 125.6° | 120.3° |
| N19 | C8 | C10 | 116.7° | 122.6° |
| N19 | C8 | C7 | 124.4° | 119.1° |
| C12 | C11 | C10 | 121.7° | 120.1° |
| C11 | C12 | H2 | 119.2° | 120.1° |
| C11 | C10 | C8 | 123.3° | 119.6° |
| C11 | C10 | N9 | 118.0° | 119.7° |
| N18 | C23 | C24 | 116.1° | 109.5° |
| C23 | N18 | C17 | 112.3° | 119.8° |
| N18 | C23 | H12 | 107.8° | 109.5° |
| N18 | C23 | H13 | 107.8° | 109.5° |
| C23 | C24 | O25 | 113.9° | 120.0° |
| C23 | C24 | O26 | 119.3° | 120.1° |
| C24 | C23 | H12 | 107.8° | 109.4° |
| C24 | C23 | H13 | 107.8° | 109.5° |
| N18 | C17 | C7 | 116.5° | 117.1° |
| N18 | C17 | O21 | 119.6° | 121.4° |
| C10 | C8 | C7 | 118.9° | 118.3° |
| C8 | C10 | N9 | 118.7° | 120.7° |
| C8 | C7 | C17 | 115.7° | 118.5° |
| C8 | C7 | C1 | 121.3° | 118.3° |
| O25 | C24 | O26 | 126.7° | 119.9° |
| C24 | O26 | H14 | 109.5° | 117.1° |
| C10 | N9 | C2 | 122.3° | 123.3° |
| C7 | C17 | O21 | 123.8° | 121.5° |
| C17 | C7 | C1 | 122.8° | 123.2° |
| C7 | C1 | C2 | 115.3° | 118.5° |
| C7 | C1 | C3 | 126.3° | 121.7° |
| N9 | C2 | C1 | 123.4° | 120.9° |
| N9 | C2 | C4 | 114.5° | 120.4° |
| C1 | C2 | C4 | 122.1° | 118.8° |
| C2 | C1 | C3 | 118.2° | 119.8° |
| C2 | C4 | C6 | 119.1° | 119.9° |
| C2 | C4 | H5 | 120.4° | 120.1° |
| C1 | C3 | C5 | 117.8° | 119.8° |
| C1 | C3 | H8 | 121.1° | 120.1° |
| C4 | C6 | C5 | 120.1° | 121.1° |
| C6 | C4 | H5 | 120.5° | 120.0° |
| C4 | C6 | H6 | 119.9° | 119.5° |
| C3 | C5 | C6 | 122.4° | 120.7° |
| C3 | C5 | H7 | 118.8° | 119.7° |
| C5 | C3 | H8 | 121.1° | 120.1° |
| C5 | C6 | H6 | 120.0° | 119.5° |
| C6 | C5 | H7 | 118.8° | 119.7° |
| H9 | C22 | H10 | 109.5° | 109.4° |
| H9 | C22 | H11 | 109.5° | 109.4° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C16 | C15 | C14 | 172.3° | 179.7° |
| CL1 | C16 | C15 | C13 | 179.0° | 180.0° |
| CL1 | C16 | C14 | C12 | 179.9° | 180.0° |
| CL1 | C16 | C14 | H1 | 0.1° | 0.1° |
| CL1 | C16 | C15 | H3 | 1.0° | 0.1° |
| C16 | C15 | C13 | H3 | 180.0° | 179.9° |
| C16 | C15 | C13 | C11 | 1.5° | 0.1° |
| C15 | C16 | C14 | C12 | 8.3° | 0.3° |
| C15 | C16 | C14 | H1 | 171.8° | 179.7° |
| C16 | C15 | C13 | H4 | 178.5° | 179.9° |
| C13 | C15 | C16 | C14 | 6.7° | 0.3° |
| C15 | C13 | C11 | H4 | 180.0° | 180.0° |
| C15 | C13 | C11 | C12 | 2.4° | 0.2° |
| C15 | C13 | C11 | C10 | 177.4° | 180.0° |
| C16 | C14 | C12 | H1 | 180.0° | 179.9° |
| C16 | C14 | C12 | C11 | 4.2° | 0.1° |
| C16 | C14 | C12 | H2 | 175.8° | 179.9° |
| C14 | C16 | C15 | H3 | 173.2° | 179.7° |
| C22 | C20 | N19 | N18 | 176.1° | 180.0° |
| C22 | C20 | N19 | C8 | 178.2° | 180.0° |
| C22 | C20 | N18 | C23 | 5.9° | 0.0° |
| C22 | C20 | N18 | C17 | 176.2° | 179.8° |
| C20 | C22 | H9 | H10 | 120.0° | 120.0° |
| C20 | C22 | H9 | H11 | 120.0° | 120.0° |
| C20 | C22 | H10 | H11 | 120.0° | 120.1° |
| C13 | C11 | C12 | C14 | 1.0° | 0.2° |
| C13 | C11 | C12 | C10 | 179.8° | 179.8° |
| C13 | C11 | C10 | C8 | 43.6° | 144.7° |
| C13 | C11 | C10 | N9 | 135.2° | 35.0° |
| C13 | C11 | C12 | H2 | 179.0° | 179.8° |
| C11 | C13 | C15 | H3 | 178.5° | 180.0° |
| C14 | C12 | C11 | H2 | 180.0° | 180.0° |
| C14 | C12 | C11 | C10 | 178.8° | 180.0° |
| N19 | C20 | N18 | C23 | 170.3° | 180.0° |
| N19 | C20 | N18 | C17 | 7.7° | 0.2° |
| C20 | N19 | C8 | C10 | 178.4° | 180.0° |
| C20 | N19 | C8 | C7 | 2.6° | 0.3° |
| N19 | C20 | C22 | H9 | 0.0° | 0.0° |
| N19 | C20 | C22 | H10 | 120.0° | 120.0° |
| N19 | C20 | C22 | H11 | 120.0° | 120.0° |
| N18 | C20 | N19 | C8 | 2.1° | 0.1° |
| C20 | N18 | C23 | C17 | 178.2° | 179.8° |
| C20 | N18 | C23 | C24 | 91.5° | 90.0° |
| C20 | N18 | C17 | C7 | 7.9° | 0.2° |
| C20 | N18 | C17 | O21 | 173.5° | 179.8° |
| N18 | C20 | C22 | H9 | 176.0° | 180.0° |
| N18 | C20 | C22 | H10 | 64.0° | 60.0° |
| N18 | C20 | C22 | H11 | 56.0° | 60.1° |
| C20 | N18 | C23 | H12 | 147.6° | 150.0° |
| C20 | N18 | C23 | H13 | 29.5° | 30.0° |
| N19 | C8 | C10 | C11 | 0.7° | 0.0° |
| N19 | C8 | C10 | C7 | 179.1° | 179.7° |
| N19 | C8 | C10 | N9 | 178.1° | 179.7° |
| N19 | C8 | C7 | C17 | 2.2° | 0.3° |
| N19 | C8 | C7 | C1 | 176.3° | 179.7° |
| C12 | C11 | C10 | C8 | 136.6° | 35.5° |
| C12 | C11 | C10 | N9 | 44.6° | 144.8° |
| C11 | C12 | C14 | H1 | 175.8° | 180.0° |
| C12 | C11 | C13 | H4 | 177.6° | 179.8° |
| C11 | C10 | C8 | N9 | 178.8° | 179.7° |
| C11 | C10 | C8 | C7 | 178.4° | 179.7° |
| C11 | C10 | N9 | C2 | 177.5° | 180.0° |
| C10 | C11 | C12 | H2 | 1.2° | 0.0° |
| C10 | C11 | C13 | H4 | 2.6° | 0.0° |
| N18 | C23 | C24 | H12 | 121.0° | 120.0° |
| N18 | C23 | C24 | H13 | 120.9° | 120.0° |
| N18 | C23 | C24 | O25 | 164.9° | 0.1° |
| N18 | C23 | C24 | O26 | 18.2° | 180.0° |
| C23 | N18 | C17 | C7 | 170.2° | 180.0° |
| C23 | N18 | C17 | O21 | 8.4° | 0.0° |
| N18 | C23 | H12 | H13 | 117.0° | 120.0° |
| C24 | C23 | N18 | C17 | 90.3° | 89.7° |
| C23 | C24 | O25 | O26 | 176.6° | 179.9° |
| C24 | C23 | H12 | H13 | 117.0° | 120.0° |
| C23 | C24 | O26 | H14 | 176.4° | 180.0° |
| N18 | C17 | C7 | C8 | 2.8° | 0.0° |
| N18 | C17 | C7 | O21 | 178.5° | 180.0° |
| N18 | C17 | C7 | C1 | 171.2° | 179.5° |
| C17 | N18 | C23 | H12 | 30.6° | 30.2° |
| C17 | N18 | C23 | H13 | 148.7° | 150.2° |
| C10 | C8 | C7 | C17 | 178.8° | 180.0° |
| C10 | C8 | C7 | C1 | 4.7° | 0.6° |
| C8 | C10 | N9 | C2 | 1.4° | 0.3° |
| C7 | C8 | C10 | N9 | 2.8° | 0.6° |
| C8 | C7 | C17 | C1 | 174.0° | 179.4° |
| C8 | C7 | C17 | O21 | 178.7° | 179.9° |
| C8 | C7 | C1 | C2 | 2.5° | 0.3° |
| C8 | C7 | C1 | C3 | 171.6° | 179.7° |
| O25 | C24 | C23 | H12 | 43.9° | 120.1° |
| O25 | C24 | C23 | H13 | 74.2° | 120.0° |
| O25 | C24 | O26 | H14 | 0.0° | 0.1° |
| O26 | C24 | C23 | H12 | 139.2° | 60.0° |
| O26 | C24 | C23 | H13 | 102.7° | 60.0° |
| C10 | N9 | C2 | C1 | 3.8° | 0.1° |
| C10 | N9 | C2 | C4 | 175.9° | 180.0° |
| C17 | C7 | C1 | C2 | 176.1° | 179.7° |
| C17 | C7 | C1 | C3 | 2.1° | 0.3° |
| O21 | C17 | C7 | C1 | 7.4° | 0.5° |
| C7 | C1 | C2 | N9 | 1.8° | 0.0° |
| C7 | C1 | C2 | C3 | 174.6° | 180.0° |
| C7 | C1 | C2 | C4 | 177.9° | 180.0° |
| C7 | C1 | C3 | C5 | 177.6° | 180.0° |
| C7 | C1 | C3 | H8 | 2.4° | 0.0° |
| N9 | C2 | C1 | C4 | 179.7° | 179.9° |
| N9 | C2 | C1 | C3 | 176.4° | 180.0° |
| N9 | C2 | C4 | C6 | 178.3° | 179.9° |
| N9 | C2 | C4 | H5 | 1.7° | 0.1° |
| C1 | C2 | C4 | C6 | 2.0° | 0.0° |
| C2 | C1 | C3 | C5 | 3.7° | 0.0° |
| C1 | C2 | C4 | H5 | 178.0° | 180.0° |
| C2 | C1 | C3 | H8 | 176.3° | 180.0° |
| C4 | C2 | C1 | C3 | 3.3° | 0.0° |
| C2 | C4 | C6 | H5 | 180.0° | 180.0° |
| C2 | C4 | C6 | C5 | 6.8° | 0.0° |
| C2 | C4 | C6 | H6 | 173.2° | 179.9° |
| C1 | C3 | C5 | H8 | 180.0° | 180.0° |
| C1 | C3 | C5 | C6 | 1.0° | 0.0° |
| C1 | C3 | C5 | H7 | 179.0° | 180.0° |
| C4 | C6 | C5 | C3 | 6.5° | 0.0° |
| C4 | C6 | C5 | H6 | 180.0° | 179.9° |
| C4 | C6 | C5 | H7 | 173.5° | 180.0° |
| C3 | C5 | C6 | H7 | 180.0° | 180.0° |
| C3 | C5 | C6 | H6 | 173.5° | 179.9° |
| C5 | C6 | C4 | H5 | 173.2° | 179.9° |
| C6 | C5 | C3 | H8 | 179.0° | 180.0° |
| H1 | C14 | C12 | H2 | 4.2° | 0.0° |
| H3 | C15 | C13 | H4 | 1.5° | 0.0° |
| H5 | C4 | C6 | H6 | 6.8° | 0.0° |
| H6 | C6 | C5 | H7 | 6.5° | 0.1° |
| H7 | C5 | C3 | H8 | 1.0° | 0.0° |
| H9 | C22 | H10 | H11 | 120.0° | 119.9° |
