73Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C25 | doub | 1.22Å | 1.23Å | |
| C3 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| N24 | C23 | doub | 1.30Å | 1.32Å | Aromatic |
| N24 | C20 | sing | 1.35Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N22 | sing | 1.36Å | 1.35Å | Aromatic |
| C2 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.47Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C9 | sing | 1.51Å | 1.47Å | |
| C7 | N14 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | N14 | sing | 1.35Å | 1.34Å | |
| C25 | C19 | sing | 1.48Å | 1.51Å | |
| N28 | C29 | doub | 1.31Å | 1.32Å | Aromatic |
| N28 | C30 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.48Å | |
| C29 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | doub | 1.41Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| N22 | C21 | sing | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | N18 | doub | 1.32Å | 1.35Å | Aromatic |
| C35 | C30 | doub | 1.40Å | 1.42Å | Aromatic |
| C35 | C34 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.42Å | 1.42Å | Aromatic |
| C15 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | BR3 | sing | 1.89Å | 1.90Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| N18 | C17 | sing | 1.32Å | 1.34Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| C33 | C32 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| N22 | H11 | sing | 0.97Å | 1.00Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C25 | N14 | 122.4° | 120.0° |
| O26 | C25 | C19 | 121.0° | 120.0° |
| C1 | C3 | C2 | 120.3° | 120.2° |
| C3 | C1 | C6 | 119.8° | 120.0° |
| C3 | C1 | H6 | 120.1° | 120.0° |
| C1 | C3 | H8 | 119.9° | 119.9° |
| C3 | C2 | C4 | 120.4° | 120.3° |
| C3 | C2 | H7 | 119.8° | 119.9° |
| C2 | C3 | H8 | 119.8° | 119.9° |
| C23 | N24 | C20 | 103.5° | 109.7° |
| N24 | C23 | N22 | 113.9° | 110.0° |
| N24 | C23 | H12 | 123.0° | 124.9° |
| N24 | C20 | C19 | 132.8° | 134.0° |
| N24 | C20 | C21 | 110.3° | 107.2° |
| C1 | C6 | C7 | 130.3° | 132.2° |
| C1 | C6 | C5 | 120.1° | 120.3° |
| C6 | C1 | H6 | 120.1° | 120.0° |
| C23 | N22 | C21 | 106.5° | 107.3° |
| C23 | N22 | H11 | 126.7° | 126.3° |
| N22 | C23 | H12 | 123.0° | 125.0° |
| C2 | C4 | C5 | 119.6° | 119.9° |
| C2 | C4 | H1 | 120.2° | 120.0° |
| C4 | C2 | H7 | 119.8° | 119.8° |
| C7 | C6 | C5 | 109.6° | 107.5° |
| C6 | C7 | C9 | 105.2° | 106.0° |
| C6 | C7 | N14 | 115.2° | 110.2° |
| C6 | C7 | H2 | 107.6° | 110.1° |
| C6 | C5 | C4 | 119.8° | 119.3° |
| C6 | C5 | C8 | 107.6° | 109.4° |
| C9 | C7 | N14 | 113.4° | 110.2° |
| C7 | C9 | C8 | 109.6° | 107.5° |
| C7 | C9 | C10 | 129.7° | 132.1° |
| C9 | C7 | H2 | 107.6° | 110.1° |
| C7 | N14 | C25 | 122.9° | 120.0° |
| N14 | C7 | H2 | 107.5° | 110.2° |
| C7 | N14 | H9 | 118.6° | 120.0° |
| C4 | C5 | C8 | 132.6° | 131.2° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| N14 | C25 | C19 | 116.2° | 120.0° |
| C25 | N14 | H9 | 118.6° | 120.0° |
| C25 | C19 | C20 | 118.3° | 121.1° |
| C25 | C19 | C16 | 123.0° | 121.1° |
| C29 | N28 | C30 | 118.0° | 121.6° |
| N28 | C29 | C15 | 125.0° | 121.6° |
| N28 | C29 | H15 | 117.5° | 119.2° |
| N28 | C30 | C35 | 119.0° | 120.8° |
| N28 | C30 | C31 | 121.9° | 120.1° |
| C5 | C8 | C9 | 107.9° | 109.5° |
| C5 | C8 | C13 | 133.4° | 131.2° |
| C29 | C15 | C13 | 120.7° | 120.3° |
| C29 | C15 | C27 | 117.4° | 119.5° |
| C15 | C29 | H15 | 117.5° | 119.2° |
| C19 | C20 | C21 | 116.5° | 118.8° |
| C20 | C19 | C16 | 118.8° | 117.9° |
| C20 | C21 | N22 | 105.7° | 105.7° |
| C20 | C21 | N18 | 126.7° | 120.5° |
| N22 | C21 | N18 | 127.4° | 133.8° |
| C21 | N22 | H11 | 126.8° | 126.4° |
| C8 | C9 | C10 | 120.8° | 120.4° |
| C9 | C8 | C13 | 118.7° | 119.3° |
| C9 | C10 | C11 | 120.1° | 120.3° |
| C9 | C10 | H3 | 119.9° | 119.9° |
| C8 | C13 | C15 | 122.9° | 120.2° |
| C8 | C13 | C12 | 119.3° | 119.7° |
| C19 | C16 | BR3 | 122.3° | 120.3° |
| C19 | C16 | C17 | 119.7° | 119.3° |
| C10 | C11 | C12 | 120.1° | 120.2° |
| C11 | C10 | H3 | 119.9° | 119.8° |
| C10 | C11 | H4 | 119.9° | 119.9° |
| C21 | N18 | C17 | 115.6° | 122.0° |
| C30 | C35 | C34 | 120.4° | 119.8° |
| C35 | C30 | C31 | 119.1° | 119.1° |
| C30 | C35 | H19 | 119.8° | 120.1° |
| C35 | C34 | C33 | 120.5° | 121.0° |
| C35 | C34 | H18 | 119.7° | 119.5° |
| C34 | C35 | H19 | 119.8° | 120.1° |
| C15 | C13 | C12 | 117.7° | 120.1° |
| C13 | C15 | C27 | 121.9° | 120.3° |
| C13 | C12 | C11 | 120.9° | 120.1° |
| C13 | C12 | H5 | 119.6° | 120.0° |
| C30 | C31 | C27 | 117.3° | 119.1° |
| C30 | C31 | C32 | 118.7° | 119.6° |
| C15 | C27 | C31 | 120.4° | 118.0° |
| C15 | C27 | H14 | 119.8° | 121.0° |
| C12 | C11 | H4 | 119.9° | 119.9° |
| C11 | C12 | H5 | 119.6° | 119.9° |
| BR3 | C16 | C17 | 118.0° | 120.4° |
| C16 | C17 | N18 | 122.6° | 121.5° |
| C16 | C17 | H10 | 118.7° | 119.2° |
| N18 | C17 | H10 | 118.7° | 119.3° |
| C34 | C33 | C32 | 120.6° | 120.9° |
| C34 | C33 | H17 | 119.7° | 119.6° |
| C33 | C34 | H18 | 119.7° | 119.5° |
| C27 | C31 | C32 | 124.0° | 121.3° |
| C31 | C27 | H14 | 119.8° | 121.0° |
| C31 | C32 | C33 | 120.6° | 119.6° |
| C31 | C32 | H16 | 119.7° | 120.2° |
| C33 | C32 | H16 | 119.7° | 120.2° |
| C32 | C33 | H17 | 119.7° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C25 | N14 | C7 | 11.2° | 0.0° |
| O26 | C25 | N14 | C19 | 172.1° | 180.0° |
| O26 | C25 | C19 | C20 | 55.3° | 90.0° |
| O26 | C25 | C19 | C16 | 125.3° | 90.0° |
| O26 | C25 | N14 | H9 | 168.8° | 180.0° |
| C1 | C3 | C2 | H8 | 180.0° | 179.8° |
| C3 | C1 | C6 | H6 | 180.0° | 180.0° |
| C1 | C3 | C2 | C4 | 0.9° | 0.6° |
| C3 | C1 | C6 | C7 | 179.7° | 180.0° |
| C3 | C1 | C6 | C5 | 0.1° | 0.0° |
| C1 | C3 | C2 | H7 | 179.1° | 180.0° |
| C2 | C3 | C1 | C6 | 1.1° | 0.3° |
| C3 | C2 | C4 | H7 | 180.0° | 179.4° |
| C3 | C2 | C4 | C5 | 0.3° | 0.6° |
| C3 | C2 | C4 | H1 | 179.7° | 179.7° |
| C2 | C3 | C1 | H6 | 178.9° | 179.7° |
| N24 | C23 | N22 | H12 | 180.0° | 179.9° |
| C23 | N24 | C20 | C19 | 170.3° | 180.0° |
| C23 | N24 | C20 | C21 | 2.3° | 0.0° |
| N24 | C23 | N22 | C21 | 0.3° | 0.0° |
| N24 | C23 | N22 | H11 | 179.7° | 180.0° |
| C20 | N24 | C23 | N22 | 1.6° | 0.0° |
| N24 | C20 | C19 | C25 | 9.5° | 0.1° |
| N24 | C20 | C19 | C21 | 172.3° | 180.0° |
| N24 | C20 | C21 | N22 | 2.2° | 0.0° |
| N24 | C20 | C19 | C16 | 171.0° | 180.0° |
| N24 | C20 | C21 | N18 | 176.9° | 179.8° |
| C20 | N24 | C23 | H12 | 178.4° | 179.9° |
| C1 | C6 | C7 | C5 | 179.8° | 180.0° |
| C1 | C6 | C7 | C9 | 176.4° | 180.0° |
| C1 | C6 | C7 | N14 | 50.7° | 60.8° |
| C1 | C6 | C5 | C4 | 1.1° | 0.1° |
| C1 | C6 | C5 | C8 | 177.5° | 180.0° |
| C1 | C6 | C7 | H2 | 69.2° | 60.9° |
| C6 | C1 | C3 | H8 | 178.9° | 179.9° |
| C23 | N22 | C21 | C20 | 1.2° | 0.0° |
| C23 | N22 | C21 | H11 | 180.0° | 180.0° |
| C23 | N22 | C21 | N18 | 175.8° | 179.7° |
| C2 | C4 | C5 | C6 | 1.3° | 0.4° |
| C2 | C4 | C5 | H1 | 180.0° | 179.7° |
| C2 | C4 | C5 | C8 | 176.9° | 179.7° |
| C4 | C2 | C3 | H8 | 179.1° | 179.6° |
| C6 | C7 | C9 | N14 | 126.8° | 119.2° |
| C6 | C7 | C9 | H2 | 114.5° | 119.1° |
| C6 | C7 | N14 | H2 | 119.9° | 121.7° |
| C7 | C6 | C5 | C4 | 179.1° | 179.9° |
| C6 | C7 | N14 | C25 | 87.8° | 86.4° |
| C7 | C6 | C5 | C8 | 2.3° | 0.0° |
| C6 | C7 | C9 | C8 | 3.3° | 0.0° |
| C6 | C7 | C9 | C10 | 177.6° | 180.0° |
| C7 | C6 | C1 | H6 | 0.3° | 0.0° |
| C6 | C7 | N14 | H9 | 92.2° | 93.6° |
| C5 | C6 | C7 | C9 | 3.4° | 0.0° |
| C5 | C6 | C7 | N14 | 129.1° | 119.2° |
| C6 | C5 | C4 | C8 | 178.2° | 179.9° |
| C6 | C5 | C8 | C9 | 0.2° | 0.0° |
| C6 | C5 | C8 | C13 | 179.0° | 179.9° |
| C6 | C5 | C4 | H1 | 178.7° | 180.0° |
| C5 | C6 | C7 | H2 | 111.0° | 119.1° |
| C5 | C6 | C1 | H6 | 179.9° | 180.0° |
| C9 | C7 | N14 | H2 | 118.8° | 121.7° |
| C9 | C7 | N14 | C25 | 150.9° | 157.0° |
| C7 | C9 | C8 | C5 | 1.9° | 0.0° |
| C7 | C9 | C8 | C10 | 179.3° | 180.0° |
| C7 | C9 | C8 | C13 | 178.7° | 179.9° |
| C7 | C9 | C10 | C11 | 179.8° | 180.0° |
| C7 | C9 | C10 | H3 | 0.2° | 0.0° |
| C9 | C7 | N14 | H9 | 29.1° | 23.0° |
| C7 | N14 | C25 | H9 | 180.0° | 180.0° |
| C7 | N14 | C25 | C19 | 160.9° | 180.0° |
| N14 | C7 | C9 | C8 | 130.0° | 119.2° |
| N14 | C7 | C9 | C10 | 50.8° | 60.8° |
| C4 | C5 | C8 | C9 | 178.6° | 179.9° |
| C4 | C5 | C8 | C13 | 0.7° | 0.0° |
| C5 | C4 | C2 | H7 | 179.7° | 180.0° |
| N14 | C25 | C19 | C20 | 116.9° | 89.9° |
| N14 | C25 | C19 | C16 | 62.5° | 90.0° |
| C25 | N14 | C7 | H2 | 32.1° | 35.3° |
| C25 | C19 | C20 | C16 | 179.5° | 180.0° |
| C25 | C19 | C20 | C21 | 178.2° | 179.9° |
| C25 | C19 | C16 | BR3 | 5.8° | 0.0° |
| C25 | C19 | C16 | C17 | 176.2° | 179.7° |
| C19 | C25 | N14 | H9 | 19.1° | 0.0° |
| N28 | C29 | C15 | H15 | 180.0° | 180.0° |
| C29 | N28 | C30 | C35 | 178.4° | 180.0° |
| N28 | C29 | C15 | C13 | 175.6° | 180.0° |
| C29 | N28 | C30 | C31 | 0.1° | 0.3° |
| N28 | C29 | C15 | C27 | 2.4° | 0.3° |
| C30 | N28 | C29 | C15 | 2.0° | 0.0° |
| N28 | C30 | C35 | C31 | 178.5° | 179.8° |
| N28 | C30 | C35 | C34 | 176.5° | 179.8° |
| N28 | C30 | C31 | C27 | 1.4° | 0.3° |
| N28 | C30 | C31 | C32 | 177.8° | 179.8° |
| C30 | N28 | C29 | H15 | 178.0° | 180.0° |
| N28 | C30 | C35 | H19 | 3.5° | 0.0° |
| C5 | C8 | C9 | C13 | 179.4° | 179.9° |
| C5 | C8 | C9 | C10 | 178.8° | 180.0° |
| C5 | C8 | C13 | C15 | 6.1° | 0.1° |
| C5 | C8 | C13 | C12 | 177.3° | 180.0° |
| C8 | C5 | C4 | H1 | 3.1° | 0.1° |
| C29 | C15 | C13 | C8 | 57.9° | 123.1° |
| C29 | C15 | C13 | C27 | 177.9° | 179.7° |
| C29 | C15 | C13 | C12 | 118.8° | 57.0° |
| C29 | C15 | C27 | C31 | 0.8° | 0.2° |
| C29 | C15 | C27 | H14 | 179.2° | 179.8° |
| C19 | C20 | C21 | N22 | 171.7° | 180.0° |
| C19 | C20 | C21 | N18 | 2.9° | 0.2° |
| C20 | C19 | C16 | BR3 | 174.8° | 180.0° |
| C20 | C19 | C16 | C17 | 3.3° | 0.3° |
| C20 | C21 | N22 | N18 | 174.6° | 179.8° |
| C21 | C20 | C19 | C16 | 1.3° | 0.0° |
| C20 | C21 | N18 | C17 | 4.7° | 0.2° |
| C20 | C21 | N22 | H11 | 178.8° | 180.0° |
| N22 | C21 | N18 | C17 | 168.7° | 179.9° |
| C21 | N22 | C23 | H12 | 179.7° | 180.0° |
| C8 | C9 | C10 | C11 | 0.7° | 0.0° |
| C9 | C8 | C13 | C15 | 174.7° | 180.0° |
| C9 | C8 | C13 | C12 | 1.9° | 0.1° |
| C8 | C9 | C7 | H2 | 111.2° | 119.1° |
| C8 | C9 | C10 | H3 | 179.3° | 180.0° |
| C10 | C9 | C8 | C13 | 0.6° | 0.1° |
| C9 | C10 | C11 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.7° | 0.0° |
| C10 | C9 | C7 | H2 | 68.0° | 60.9° |
| C9 | C10 | C11 | H4 | 179.3° | 180.0° |
| C8 | C13 | C15 | C12 | 176.6° | 180.0° |
| C8 | C13 | C15 | C27 | 120.1° | 57.2° |
| C8 | C13 | C12 | C11 | 2.0° | 0.0° |
| C8 | C13 | C12 | H5 | 178.0° | 179.9° |
| C19 | C16 | BR3 | C17 | 178.1° | 179.7° |
| C19 | C16 | C17 | N18 | 1.4° | 0.4° |
| C19 | C16 | C17 | H10 | 178.6° | 179.7° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | H5 | 179.3° | 179.9° |
| C21 | N18 | C17 | C16 | 2.4° | 0.1° |
| C21 | N18 | C17 | H10 | 177.6° | 180.0° |
| N18 | C21 | N22 | H11 | 4.2° | 0.2° |
| C30 | C35 | C34 | H19 | 180.0° | 179.8° |
| C30 | C35 | C34 | C33 | 2.0° | 0.0° |
| C35 | C30 | C31 | C27 | 179.8° | 180.0° |
| C35 | C30 | C31 | C32 | 0.7° | 0.0° |
| C30 | C35 | C34 | H18 | 178.0° | 180.0° |
| C34 | C35 | C30 | C31 | 2.0° | 0.0° |
| C35 | C34 | C33 | H18 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.8° | 0.0° |
| C35 | C34 | C33 | H17 | 179.2° | 180.0° |
| C15 | C13 | C12 | C11 | 174.8° | 180.0° |
| C13 | C15 | C27 | C31 | 177.2° | 180.0° |
| C15 | C13 | C12 | H5 | 5.2° | 0.1° |
| C13 | C15 | C27 | H14 | 2.8° | 0.0° |
| C13 | C15 | C29 | H15 | 4.4° | 0.0° |
| C12 | C13 | C15 | C27 | 63.3° | 122.8° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C13 | C12 | C11 | H4 | 179.3° | 180.0° |
| C30 | C31 | C27 | C15 | 1.0° | 0.0° |
| C30 | C31 | C27 | C32 | 179.1° | 179.9° |
| C30 | C31 | C32 | C33 | 0.5° | 0.1° |
| C30 | C31 | C27 | H14 | 179.0° | 180.0° |
| C30 | C31 | C32 | H16 | 179.5° | 180.0° |
| C31 | C30 | C35 | H19 | 178.0° | 179.8° |
| C15 | C27 | C31 | H14 | 180.0° | 180.0° |
| C15 | C27 | C31 | C32 | 178.1° | 179.9° |
| C27 | C15 | C29 | H15 | 177.6° | 179.7° |
| C12 | C11 | C10 | H3 | 179.3° | 179.9° |
| BR3 | C16 | C17 | N18 | 176.8° | 180.0° |
| BR3 | C16 | C17 | H10 | 3.2° | 0.1° |
| C16 | C17 | N18 | H10 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 0.5° | 0.1° |
| C34 | C33 | C32 | H17 | 180.0° | 179.9° |
| C34 | C33 | C32 | H16 | 179.5° | 180.0° |
| C33 | C34 | C35 | H19 | 178.0° | 179.8° |
| C27 | C31 | C32 | C33 | 178.5° | 180.0° |
| C27 | C31 | C32 | H16 | 1.5° | 0.1° |
| C31 | C32 | C33 | H16 | 180.0° | 179.9° |
| C32 | C31 | C27 | H14 | 1.9° | 0.1° |
| C31 | C32 | C33 | H17 | 179.5° | 180.0° |
| C32 | C33 | C34 | H18 | 179.2° | 179.9° |
| H1 | C4 | C2 | H7 | 0.3° | 0.3° |
| H2 | C7 | N14 | H9 | 147.9° | 144.7° |
| H3 | C10 | C11 | H4 | 0.7° | 0.0° |
| H4 | C11 | C12 | H5 | 0.7° | 0.1° |
| H6 | C1 | C3 | H8 | 1.1° | 0.0° |
| H7 | C2 | C3 | H8 | 0.9° | 0.3° |
| H11 | N22 | C23 | H12 | 0.3° | 0.1° |
| H16 | C32 | C33 | H17 | 0.5° | 0.1° |
| H17 | C33 | C34 | H18 | 0.8° | 0.0° |
| H18 | C34 | C35 | H19 | 2.1° | 0.2° |
