7ZD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | N13 | sing | 1.46Å | 1.47Å | |
| C20 | C22 | sing | 1.51Å | 1.51Å | |
| N13 | C12 | sing | 1.35Å | 1.35Å | |
| C28 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| O25 | C14 | sing | 1.43Å | 1.44Å | |
| C12 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | O17 | doub | 1.21Å | 1.22Å | |
| C14 | C19 | sing | 1.53Å | 1.54Å | |
| C26 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N3 | sing | 1.40Å | 1.40Å | |
| C19 | C24 | sing | 1.51Å | 1.51Å | |
| C30 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| O16 | C2 | sing | 1.36Å | 1.36Å | |
| N3 | C2 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.40Å | Aromatic |
| C32 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C31 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.48Å | 1.47Å | |
| N6 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| N6 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C8 | doub | 1.36Å | 1.36Å | Aromatic |
| C11 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C21 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.46Å | 1.46Å | Aromatic |
| C10 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| C23 | N18 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C28 | H8 | sing | 1.08Å | 1.08Å | |
| N6 | H10 | sing | 0.97Å | 1.00Å | |
| N13 | H11 | sing | 0.97Å | 1.00Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| O25 | H16 | sing | 0.97Å | 0.95Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| C32 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C34 | H23 | sing | 1.08Å | 1.08Å | |
| O16 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C29 | C22 | 120.9° | 120.1° |
| C29 | C28 | C26 | 119.7° | 120.1° |
| C29 | C28 | H8 | 120.2° | 120.0° |
| C28 | C29 | H18 | 119.5° | 119.9° |
| C29 | C22 | C20 | 119.7° | 120.0° |
| C29 | C22 | C15 | 119.8° | 120.1° |
| C22 | C29 | H18 | 119.6° | 119.9° |
| N13 | C20 | C22 | 114.0° | 109.5° |
| C20 | N13 | C12 | 121.3° | 120.0° |
| N13 | C20 | H4 | 108.3° | 109.5° |
| N13 | C20 | H5 | 108.4° | 109.5° |
| C20 | N13 | H11 | 119.3° | 120.0° |
| C20 | C22 | C15 | 120.5° | 120.0° |
| C22 | C20 | H4 | 108.3° | 109.5° |
| C22 | C20 | H5 | 108.3° | 109.5° |
| N13 | C12 | C14 | 120.6° | 120.0° |
| N13 | C12 | O17 | 119.8° | 120.0° |
| C12 | N13 | H11 | 119.3° | 120.0° |
| C28 | C26 | C9 | 119.6° | 119.9° |
| C28 | C26 | H7 | 120.2° | 120.0° |
| C26 | C28 | H8 | 120.2° | 120.0° |
| C22 | C15 | C9 | 119.4° | 120.0° |
| C22 | C15 | H3 | 120.3° | 120.0° |
| O25 | C14 | C12 | 111.4° | 109.5° |
| O25 | C14 | C19 | 111.7° | 109.5° |
| O25 | C14 | H12 | 107.8° | 109.5° |
| C14 | O25 | H16 | 109.5° | 114.0° |
| C14 | C12 | O17 | 119.6° | 120.0° |
| C12 | C14 | C19 | 112.3° | 109.5° |
| C12 | C14 | H12 | 106.8° | 109.4° |
| C14 | C19 | C24 | 114.3° | 109.5° |
| C19 | C14 | H12 | 106.6° | 109.5° |
| C14 | C19 | H13 | 108.2° | 109.5° |
| C14 | C19 | H14 | 108.2° | 109.5° |
| C26 | C9 | C15 | 120.6° | 119.9° |
| C26 | C9 | N3 | 120.1° | 120.0° |
| C9 | C26 | H7 | 120.2° | 120.0° |
| C15 | C9 | N3 | 119.3° | 120.1° |
| C9 | C15 | H3 | 120.3° | 120.0° |
| C9 | N3 | C2 | 125.0° | 125.9° |
| C9 | N3 | N5 | 126.5° | 125.9° |
| C19 | C24 | C30 | 120.5° | 120.0° |
| C19 | C24 | C31 | 119.8° | 120.0° |
| C24 | C19 | H13 | 108.3° | 109.4° |
| C24 | C19 | H14 | 108.3° | 109.5° |
| C24 | C30 | C32 | 119.9° | 120.0° |
| C30 | C24 | C31 | 119.7° | 120.0° |
| C24 | C30 | H19 | 120.1° | 120.0° |
| C30 | C32 | C34 | 120.3° | 120.0° |
| C32 | C30 | H19 | 120.1° | 120.0° |
| C30 | C32 | H21 | 119.8° | 120.0° |
| C24 | C31 | C33 | 120.5° | 120.0° |
| C24 | C31 | H20 | 119.8° | 120.0° |
| O16 | C2 | N3 | 125.7° | 126.4° |
| O16 | C2 | C1 | 126.9° | 126.4° |
| C2 | O16 | H9 | 109.5° | 114.0° |
| C2 | N3 | N5 | 108.5° | 108.2° |
| N3 | C2 | C1 | 107.4° | 107.2° |
| N3 | N5 | C7 | 108.3° | 109.0° |
| C32 | C34 | C33 | 119.9° | 120.0° |
| C34 | C32 | H21 | 119.8° | 120.0° |
| C32 | C34 | H23 | 120.0° | 120.1° |
| C31 | C33 | C34 | 119.8° | 120.0° |
| C33 | C31 | H20 | 119.8° | 120.0° |
| C31 | C33 | H22 | 120.1° | 120.0° |
| C2 | C1 | C7 | 107.0° | 107.2° |
| C2 | C1 | C4 | 124.7° | 126.4° |
| C34 | C33 | H22 | 120.1° | 120.0° |
| C33 | C34 | H23 | 120.1° | 120.0° |
| N5 | C7 | C1 | 108.7° | 108.4° |
| N5 | C7 | H1 | 125.6° | 125.8° |
| C7 | C1 | C4 | 128.2° | 126.4° |
| C1 | C7 | H1 | 125.6° | 125.8° |
| C1 | C4 | N6 | 123.2° | 125.2° |
| C1 | C4 | C8 | 127.6° | 125.2° |
| C4 | N6 | C11 | 110.4° | 109.8° |
| N6 | C4 | C8 | 109.3° | 109.6° |
| C4 | N6 | H10 | 124.8° | 125.1° |
| N6 | C11 | C21 | 133.7° | 134.4° |
| N6 | C11 | C10 | 107.4° | 107.5° |
| C11 | N6 | H10 | 124.8° | 125.0° |
| C4 | C8 | C10 | 106.9° | 106.9° |
| C4 | C8 | H2 | 126.5° | 126.6° |
| C21 | C11 | C10 | 118.9° | 118.1° |
| C11 | C21 | C27 | 118.7° | 118.9° |
| C11 | C21 | H6 | 120.6° | 120.6° |
| C11 | C10 | C8 | 106.0° | 106.2° |
| C11 | C10 | C23 | 118.4° | 119.1° |
| C21 | C27 | N18 | 121.1° | 121.5° |
| C27 | C21 | H6 | 120.6° | 120.5° |
| C21 | C27 | H17 | 119.4° | 119.3° |
| C8 | C10 | C23 | 135.6° | 134.7° |
| C10 | C8 | H2 | 126.6° | 126.5° |
| C10 | C23 | N18 | 120.3° | 120.1° |
| C10 | C23 | H15 | 119.9° | 119.9° |
| C27 | N18 | C23 | 122.6° | 122.2° |
| N18 | C27 | H17 | 119.4° | 119.2° |
| N18 | C23 | H15 | 119.9° | 119.9° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C29 | C22 | H18 | 180.0° | 179.8° |
| C28 | C29 | C22 | C20 | 179.7° | 180.0° |
| C29 | C28 | C26 | H8 | 180.0° | 179.5° |
| C28 | C29 | C22 | C15 | 0.9° | 0.0° |
| C29 | C28 | C26 | C9 | 0.0° | 0.5° |
| C29 | C28 | C26 | H7 | 180.0° | 180.0° |
| C29 | C22 | C20 | N13 | 130.7° | 89.9° |
| C29 | C22 | C20 | C15 | 178.7° | 180.0° |
| C22 | C29 | C28 | C26 | 0.8° | 0.2° |
| C29 | C22 | C15 | C9 | 0.3° | 0.0° |
| C29 | C22 | C15 | H3 | 179.7° | 179.7° |
| C29 | C22 | C20 | H4 | 10.1° | 30.1° |
| C29 | C22 | C20 | H5 | 108.6° | 150.1° |
| C22 | C29 | C28 | H8 | 179.2° | 179.7° |
| N13 | C20 | C22 | H4 | 120.6° | 120.0° |
| N13 | C20 | C22 | H5 | 120.7° | 120.0° |
| C20 | N13 | C12 | H11 | 180.0° | 180.0° |
| N13 | C20 | C22 | C15 | 50.6° | 90.0° |
| C20 | N13 | C12 | C14 | 178.3° | 180.0° |
| C20 | N13 | C12 | O17 | 0.6° | 0.0° |
| N13 | C20 | H4 | H5 | 117.9° | 120.0° |
| C22 | C20 | N13 | C12 | 99.5° | 180.0° |
| C20 | C22 | C15 | C9 | 179.0° | 180.0° |
| C20 | C22 | C15 | H3 | 1.0° | 0.3° |
| C22 | C20 | H4 | H5 | 117.9° | 120.0° |
| C22 | C20 | N13 | H11 | 80.5° | 0.0° |
| C20 | C22 | C29 | H18 | 0.3° | 0.2° |
| N13 | C12 | C14 | O25 | 4.8° | 175.0° |
| N13 | C12 | C14 | O17 | 178.9° | 180.0° |
| N13 | C12 | C14 | C19 | 130.9° | 65.0° |
| C12 | N13 | C20 | H4 | 139.8° | 60.0° |
| C12 | N13 | C20 | H5 | 21.2° | 60.0° |
| N13 | C12 | C14 | H12 | 112.6° | 55.0° |
| C28 | C26 | C9 | H7 | 180.0° | 179.6° |
| C28 | C26 | C9 | C15 | 0.7° | 0.5° |
| C28 | C26 | C9 | N3 | 179.6° | 179.4° |
| C26 | C28 | C29 | H18 | 179.2° | 180.0° |
| C22 | C15 | C9 | C26 | 0.5° | 0.2° |
| C22 | C15 | C9 | H3 | 180.0° | 179.7° |
| C22 | C15 | C9 | N3 | 179.4° | 179.7° |
| C15 | C22 | C20 | H4 | 171.2° | 150.0° |
| C15 | C22 | C20 | H5 | 70.1° | 30.0° |
| C15 | C22 | C29 | H18 | 179.0° | 179.8° |
| O25 | C14 | C12 | C19 | 126.1° | 120.0° |
| O25 | C14 | C12 | H12 | 117.4° | 120.0° |
| O25 | C14 | C12 | O17 | 176.4° | 5.0° |
| O25 | C14 | C19 | H12 | 117.5° | 120.0° |
| O25 | C14 | C19 | C24 | 47.7° | 65.0° |
| O25 | C14 | C19 | H13 | 168.4° | 175.0° |
| O25 | C14 | C19 | H14 | 73.1° | 55.0° |
| C12 | C14 | C19 | H12 | 116.6° | 120.0° |
| C12 | C14 | C19 | C24 | 78.3° | 174.9° |
| C14 | C12 | N13 | H11 | 1.7° | 0.0° |
| C12 | C14 | C19 | H13 | 42.5° | 55.0° |
| C12 | C14 | C19 | H14 | 161.0° | 65.0° |
| C12 | C14 | O25 | H16 | 180.0° | 60.1° |
| O17 | C12 | C14 | C19 | 50.2° | 115.0° |
| O17 | C12 | N13 | H11 | 179.5° | 180.0° |
| O17 | C12 | C14 | H12 | 66.2° | 125.0° |
| C14 | C19 | C24 | H13 | 120.7° | 120.0° |
| C14 | C19 | C24 | H14 | 120.7° | 120.1° |
| C14 | C19 | C24 | C30 | 78.8° | 89.7° |
| C14 | C19 | C24 | C31 | 102.3° | 90.0° |
| C14 | C19 | H13 | H14 | 117.7° | 120.0° |
| C19 | C14 | O25 | H16 | 53.6° | 59.9° |
| C26 | C9 | C15 | N3 | 178.9° | 179.9° |
| C26 | C9 | N3 | C2 | 54.4° | 35.1° |
| C26 | C9 | N3 | N5 | 127.9° | 144.7° |
| C26 | C9 | C15 | H3 | 179.5° | 179.9° |
| C9 | C26 | C28 | H8 | 180.0° | 180.0° |
| C15 | C9 | N3 | C2 | 124.5° | 145.0° |
| C15 | C9 | N3 | N5 | 53.2° | 35.2° |
| C15 | C9 | C26 | H7 | 179.3° | 180.0° |
| C9 | N3 | C2 | O16 | 2.2° | 0.2° |
| C9 | N3 | C2 | N5 | 178.0° | 179.8° |
| C9 | N3 | C2 | C1 | 177.8° | 179.8° |
| C9 | N3 | N5 | C7 | 177.1° | 179.8° |
| N3 | C9 | C15 | H3 | 0.6° | 0.0° |
| N3 | C9 | C26 | H7 | 0.4° | 0.1° |
| C19 | C24 | C30 | C31 | 178.9° | 179.7° |
| C19 | C24 | C30 | C32 | 179.5° | 179.7° |
| C19 | C24 | C31 | C33 | 179.4° | 180.0° |
| C24 | C19 | C14 | H12 | 165.2° | 55.0° |
| C24 | C19 | H13 | H14 | 117.8° | 119.9° |
| C19 | C24 | C30 | H19 | 0.5° | 0.4° |
| C19 | C24 | C31 | H20 | 0.5° | 0.1° |
| C24 | C30 | C32 | H19 | 180.0° | 179.9° |
| C24 | C30 | C32 | C34 | 0.3° | 0.0° |
| C30 | C24 | C31 | C33 | 0.5° | 0.3° |
| C30 | C24 | C19 | H13 | 160.5° | 30.4° |
| C30 | C24 | C19 | H14 | 41.9° | 150.3° |
| C30 | C24 | C31 | H20 | 179.4° | 179.6° |
| C24 | C30 | C32 | H21 | 179.7° | 179.9° |
| C32 | C30 | C24 | C31 | 0.6° | 0.0° |
| C30 | C32 | C34 | H21 | 180.0° | 179.9° |
| C30 | C32 | C34 | C33 | 0.1° | 0.3° |
| C30 | C32 | C34 | H23 | 179.9° | 180.0° |
| C24 | C31 | C33 | H20 | 180.0° | 179.9° |
| C24 | C31 | C33 | C34 | 0.1° | 0.5° |
| C31 | C24 | C19 | H13 | 18.4° | 149.9° |
| C31 | C24 | C19 | H14 | 137.0° | 30.1° |
| C31 | C24 | C30 | H19 | 179.4° | 179.9° |
| C24 | C31 | C33 | H22 | 179.9° | 179.9° |
| O16 | C2 | N3 | C1 | 180.0° | 180.0° |
| O16 | C2 | N3 | N5 | 179.8° | 180.0° |
| O16 | C2 | C1 | C7 | 179.5° | 180.0° |
| O16 | C2 | C1 | C4 | 1.4° | 0.0° |
| C2 | N3 | N5 | C7 | 0.8° | 0.1° |
| N3 | C2 | C1 | C7 | 0.4° | 0.1° |
| N3 | C2 | C1 | C4 | 178.5° | 180.0° |
| N3 | C2 | O16 | H9 | 180.0° | 90.0° |
| N5 | N3 | C2 | C1 | 0.2° | 0.1° |
| N3 | N5 | C7 | C1 | 1.1° | 0.0° |
| N3 | N5 | C7 | H1 | 178.9° | 180.0° |
| C32 | C34 | C33 | C31 | 0.2° | 0.5° |
| C32 | C34 | C33 | H23 | 180.0° | 179.7° |
| C34 | C32 | C30 | H19 | 179.7° | 179.9° |
| C32 | C34 | C33 | H22 | 179.8° | 180.0° |
| C31 | C33 | C34 | H22 | 180.0° | 179.4° |
| C31 | C33 | C34 | H23 | 179.8° | 179.8° |
| C2 | C1 | C7 | N5 | 1.0° | 0.0° |
| C2 | C1 | C7 | C4 | 178.0° | 179.9° |
| C2 | C1 | C4 | N6 | 1.9° | 140.3° |
| C2 | C1 | C4 | C8 | 176.5° | 40.0° |
| C2 | C1 | C7 | H1 | 179.0° | 180.0° |
| C1 | C2 | O16 | H9 | 0.1° | 90.0° |
| C34 | C33 | C31 | H20 | 179.9° | 179.4° |
| C33 | C34 | C32 | H21 | 179.9° | 179.6° |
| N5 | C7 | C1 | H1 | 180.0° | 180.0° |
| N5 | C7 | C1 | C4 | 179.0° | 180.0° |
| C7 | C1 | C4 | N6 | 179.6° | 39.8° |
| C7 | C1 | C4 | C8 | 1.2° | 140.0° |
| C1 | C4 | N6 | C8 | 178.7° | 179.8° |
| C1 | C4 | N6 | C11 | 178.9° | 179.8° |
| C1 | C4 | C8 | C10 | 178.9° | 179.9° |
| C4 | C1 | C7 | H1 | 1.0° | 0.1° |
| C1 | C4 | C8 | H2 | 1.1° | 0.0° |
| C1 | C4 | N6 | H10 | 1.0° | 0.2° |
| C4 | N6 | C11 | H10 | 180.0° | 179.5° |
| C4 | N6 | C11 | C21 | 179.7° | 180.0° |
| C4 | N6 | C11 | C10 | 0.1° | 0.4° |
| N6 | C4 | C8 | C10 | 0.2° | 0.3° |
| N6 | C4 | C8 | H2 | 179.8° | 179.7° |
| C11 | N6 | C4 | C8 | 0.2° | 0.5° |
| N6 | C11 | C21 | C10 | 179.8° | 179.5° |
| N6 | C11 | C21 | C27 | 180.0° | 180.0° |
| N6 | C11 | C10 | C8 | 0.0° | 0.2° |
| N6 | C11 | C10 | C23 | 179.9° | 179.7° |
| N6 | C11 | C21 | H6 | 0.0° | 0.8° |
| C4 | C8 | C10 | C11 | 0.2° | 0.0° |
| C4 | C8 | C10 | H2 | 180.0° | 180.0° |
| C4 | C8 | C10 | C23 | 179.7° | 180.0° |
| C8 | C4 | N6 | H10 | 179.7° | 180.0° |
| C11 | C21 | C27 | H6 | 180.0° | 179.3° |
| C21 | C11 | C10 | C8 | 179.9° | 179.9° |
| C21 | C11 | C10 | C23 | 0.0° | 0.1° |
| C11 | C21 | C27 | N18 | 0.2° | 0.7° |
| C21 | C11 | N6 | H10 | 0.3° | 0.5° |
| C11 | C21 | C27 | H17 | 179.8° | 179.3° |
| C10 | C11 | C21 | C27 | 0.2° | 0.4° |
| C11 | C10 | C8 | C23 | 179.9° | 180.0° |
| C11 | C10 | C23 | N18 | 0.2° | 0.0° |
| C11 | C10 | C8 | H2 | 179.8° | 180.0° |
| C10 | C11 | C21 | H6 | 179.8° | 179.7° |
| C10 | C11 | N6 | H10 | 179.9° | 180.0° |
| C11 | C10 | C23 | H15 | 179.8° | 179.9° |
| C21 | C27 | N18 | H17 | 180.0° | 180.0° |
| C21 | C27 | N18 | C23 | 0.0° | 0.6° |
| C8 | C10 | C23 | N18 | 180.0° | 180.0° |
| C8 | C10 | C23 | H15 | 0.0° | 0.0° |
| C10 | C23 | N18 | C27 | 0.2° | 0.3° |
| C10 | C23 | N18 | H15 | 180.0° | 179.9° |
| C23 | C10 | C8 | H2 | 0.3° | 0.0° |
| N18 | C27 | C21 | H6 | 179.8° | 180.0° |
| C27 | N18 | C23 | H15 | 179.9° | 179.8° |
| C23 | N18 | C27 | H17 | 179.9° | 179.4° |
| H4 | C20 | N13 | H11 | 40.2° | 120.0° |
| H5 | C20 | N13 | H11 | 158.8° | 120.0° |
| H6 | C21 | C27 | H17 | 0.2° | 0.0° |
| H7 | C26 | C28 | H8 | 0.0° | 0.5° |
| H8 | C28 | C29 | H18 | 0.8° | 0.5° |
| H12 | C14 | C19 | H13 | 74.1° | 65.0° |
| H12 | C14 | C19 | H14 | 44.4° | 175.0° |
| H12 | C14 | O25 | H16 | 63.2° | 180.0° |
| H19 | C30 | C32 | H21 | 0.3° | 0.0° |
| H20 | C31 | C33 | H22 | 0.1° | 0.1° |
| H21 | C32 | C34 | H23 | 0.1° | 0.0° |
| H22 | C33 | C34 | H23 | 0.2° | 0.4° |
