0WP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C33 | trip | 1.14Å | 1.16Å | |
| C33 | C21 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C20 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.48Å | 1.28Å | |
| O15 | C13 | doub | 1.22Å | 1.23Å | |
| C13 | N11 | sing | 1.35Å | 1.35Å | |
| N11 | C5 | sing | 1.40Å | 1.42Å | |
| F10 | C4 | sing | 1.35Å | 1.35Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C2 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.47Å | |
| C2 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| O3 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N12 | sing | 1.35Å | 1.35Å | |
| N12 | C24 | sing | 1.40Å | 1.42Å | |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.41Å | Aromatic |
| C29 | N28 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | F9 | sing | 1.35Å | 1.36Å | |
| C25 | C26 | sing | 1.41Å | 1.40Å | Aromatic |
| N28 | C27 | sing | 1.34Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.47Å | 1.36Å | Aromatic |
| C26 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | N32 | doub | 1.32Å | 1.39Å | Aromatic |
| C30 | O35 | sing | 1.36Å | 1.36Å | |
| C30 | N31 | sing | 1.34Å | 1.32Å | Aromatic |
| O35 | C36 | sing | 1.43Å | 1.43Å | |
| N32 | N31 | sing | 1.40Å | 1.37Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| N11 | H3 | sing | 0.97Å | 1.00Å | |
| N12 | H4 | sing | 0.97Å | 1.00Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | 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 | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.08Å | 1.08Å | |
| N31 | H17 | sing | 0.97Å | 1.00Å | |
| C36 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N34 | C33 | C21 | 179.8° | 180.0° |
| C33 | C21 | C22 | 108.3° | 109.4° |
| C33 | C21 | C23 | 107.7° | 109.5° |
| C33 | C21 | C19 | 110.2° | 109.5° |
| C22 | C21 | C23 | 109.2° | 109.5° |
| C22 | C21 | C19 | 111.0° | 109.5° |
| C21 | C22 | H9 | 109.5° | 109.5° |
| C21 | C22 | H10 | 109.5° | 109.5° |
| C21 | C22 | H11 | 109.4° | 109.5° |
| C23 | C21 | C19 | 110.4° | 109.5° |
| C21 | C23 | H12 | 109.5° | 109.5° |
| C21 | C23 | H13 | 109.5° | 109.5° |
| C21 | C23 | H14 | 109.5° | 109.4° |
| C21 | C19 | C18 | 120.5° | 119.9° |
| C21 | C19 | C20 | 119.6° | 120.0° |
| C19 | C18 | C17 | 119.7° | 120.3° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C19 | C18 | H7 | 120.2° | 119.8° |
| C18 | C17 | C16 | 119.8° | 120.1° |
| C18 | C17 | H6 | 120.1° | 119.9° |
| C17 | C18 | H7 | 120.2° | 119.9° |
| C19 | C20 | C14 | 120.8° | 119.9° |
| C19 | C20 | H8 | 119.6° | 120.1° |
| C17 | C16 | C14 | 119.5° | 119.9° |
| C17 | C16 | H5 | 120.3° | 120.1° |
| C16 | C17 | H6 | 120.1° | 120.0° |
| C20 | C14 | C16 | 120.3° | 119.7° |
| C20 | C14 | C13 | 114.1° | 120.1° |
| C14 | C20 | H8 | 119.6° | 120.0° |
| C16 | C14 | C13 | 125.6° | 120.1° |
| C14 | C16 | H5 | 120.2° | 120.1° |
| C14 | C13 | O15 | 119.8° | 120.0° |
| C14 | C13 | N11 | 115.8° | 120.0° |
| O15 | C13 | N11 | 124.5° | 120.0° |
| C13 | N11 | C5 | 127.4° | 120.0° |
| C13 | N11 | H3 | 116.3° | 120.0° |
| N11 | C5 | C4 | 120.2° | 120.0° |
| N11 | C5 | C6 | 120.0° | 120.0° |
| C5 | N11 | H3 | 116.3° | 120.0° |
| F10 | C4 | C5 | 120.0° | 120.1° |
| F10 | C4 | C2 | 119.5° | 120.1° |
| C4 | C5 | C6 | 119.8° | 120.0° |
| C5 | C4 | C2 | 120.5° | 119.7° |
| C5 | C6 | C7 | 119.6° | 120.3° |
| C5 | C6 | H1 | 120.2° | 119.8° |
| C4 | C2 | C1 | 121.3° | 120.2° |
| C4 | C2 | C8 | 119.9° | 119.7° |
| C6 | C7 | C8 | 119.9° | 120.3° |
| C7 | C6 | H1 | 120.2° | 119.9° |
| C6 | C7 | H2 | 120.0° | 119.9° |
| C1 | C2 | C8 | 118.7° | 120.2° |
| C2 | C1 | O3 | 120.4° | 120.0° |
| C2 | C1 | N12 | 114.7° | 120.0° |
| C2 | C8 | C7 | 120.2° | 120.0° |
| C2 | C8 | F9 | 119.5° | 120.0° |
| O3 | C1 | N12 | 124.9° | 120.0° |
| C1 | N12 | C24 | 129.0° | 120.0° |
| C1 | N12 | H4 | 115.5° | 120.0° |
| N12 | C24 | C29 | 120.2° | 119.7° |
| N12 | C24 | C25 | 121.5° | 119.7° |
| C24 | N12 | H4 | 115.5° | 120.0° |
| C7 | C8 | F9 | 120.2° | 120.0° |
| C8 | C7 | H2 | 120.1° | 119.8° |
| C29 | C24 | C25 | 118.3° | 120.5° |
| C24 | C29 | N28 | 124.9° | 122.5° |
| C24 | C29 | H16 | 117.5° | 118.7° |
| C24 | C25 | C26 | 117.3° | 118.0° |
| C24 | C25 | H15 | 121.3° | 121.0° |
| C29 | N28 | C27 | 113.7° | 121.3° |
| N28 | C29 | H16 | 117.6° | 118.7° |
| C25 | C26 | C27 | 119.2° | 118.6° |
| C25 | C26 | C30 | 132.9° | 135.0° |
| C26 | C25 | H15 | 121.4° | 120.9° |
| N28 | C27 | C26 | 126.6° | 119.1° |
| N28 | C27 | N32 | 129.6° | 134.3° |
| C27 | C26 | C30 | 107.9° | 106.5° |
| C26 | C27 | N32 | 103.8° | 106.6° |
| C26 | C30 | O35 | 125.4° | 126.2° |
| C26 | C30 | N31 | 111.7° | 107.6° |
| C27 | N32 | N31 | 112.8° | 109.3° |
| O35 | C30 | N31 | 122.9° | 126.2° |
| C30 | O35 | C36 | 117.8° | 117.1° |
| C30 | N31 | N32 | 103.8° | 110.0° |
| C30 | N31 | H17 | 128.1° | 125.0° |
| O35 | C36 | H18 | 109.5° | 109.5° |
| O35 | C36 | H19 | 109.5° | 109.4° |
| O35 | C36 | H20 | 109.4° | 109.4° |
| N32 | N31 | H17 | 128.1° | 125.0° |
| H9 | C22 | H10 | 109.4° | 109.4° |
| H9 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H12 | C23 | H13 | 109.5° | 109.5° |
| H12 | C23 | H14 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.4° | 109.4° |
| H18 | C36 | H19 | 109.5° | 109.5° |
| H18 | C36 | H20 | 109.5° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C33 | C21 | C22 | 143.1° | 147.9° |
| N34 | C33 | C21 | C23 | 25.2° | 27.9° |
| N34 | C33 | C21 | C19 | 95.3° | 92.1° |
| C33 | C21 | C22 | C23 | 117.0° | 120.0° |
| C33 | C21 | C22 | C19 | 121.1° | 120.0° |
| C33 | C21 | C23 | C19 | 120.3° | 120.0° |
| C33 | C21 | C19 | C18 | 22.7° | 120.1° |
| C33 | C21 | C19 | C20 | 157.2° | 59.7° |
| C33 | C21 | C22 | H9 | 180.0° | 60.0° |
| C33 | C21 | C22 | H10 | 60.0° | 60.0° |
| C33 | C21 | C22 | H11 | 60.0° | 180.0° |
| C33 | C21 | C23 | H12 | 180.0° | 60.0° |
| C33 | C21 | C23 | H13 | 60.0° | 60.0° |
| C33 | C21 | C23 | H14 | 60.0° | 180.0° |
| C22 | C21 | C23 | C19 | 122.3° | 120.0° |
| C22 | C21 | C19 | C18 | 97.2° | 120.0° |
| C22 | C21 | C19 | C20 | 82.8° | 60.3° |
| C21 | C22 | H9 | H10 | 120.0° | 120.0° |
| C21 | C22 | H9 | H11 | 120.0° | 120.0° |
| C21 | C22 | H10 | H11 | 120.0° | 120.0° |
| C22 | C21 | C23 | H12 | 62.6° | 180.0° |
| C22 | C21 | C23 | H13 | 177.4° | 59.9° |
| C22 | C21 | C23 | H14 | 57.4° | 60.0° |
| C23 | C21 | C19 | C18 | 141.5° | 0.0° |
| C23 | C21 | C19 | C20 | 38.5° | 179.7° |
| C23 | C21 | C22 | H9 | 63.0° | 60.0° |
| C23 | C21 | C22 | H10 | 57.0° | 179.9° |
| C23 | C21 | C22 | H11 | 177.0° | 60.0° |
| C21 | C23 | H12 | H13 | 120.0° | 120.0° |
| C21 | C23 | H12 | H14 | 120.0° | 120.0° |
| C21 | C23 | H13 | H14 | 120.0° | 120.0° |
| C21 | C19 | C18 | C20 | 180.0° | 179.8° |
| C21 | C19 | C18 | C17 | 179.9° | 180.0° |
| C21 | C19 | C20 | C14 | 180.0° | 179.7° |
| C21 | C19 | C18 | H7 | 0.1° | 0.3° |
| C21 | C19 | C20 | H8 | 0.0° | 0.2° |
| C19 | C21 | C22 | H9 | 59.0° | 180.0° |
| C19 | C21 | C22 | H10 | 179.0° | 60.0° |
| C19 | C21 | C22 | H11 | 61.1° | 60.0° |
| C19 | C21 | C23 | H12 | 59.7° | 60.0° |
| C19 | C21 | C23 | H13 | 60.3° | 180.0° |
| C19 | C21 | C23 | H14 | 179.7° | 60.0° |
| C19 | C18 | C17 | H7 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | C14 | 0.0° | 0.6° |
| C19 | C18 | C17 | H6 | 179.9° | 180.0° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.3° |
| C18 | C17 | C16 | H6 | 180.0° | 180.0° |
| C18 | C17 | C16 | C14 | 0.1° | 0.0° |
| C18 | C17 | C16 | H5 | 179.9° | 180.0° |
| C19 | C20 | C14 | H8 | 180.0° | 179.5° |
| C19 | C20 | C14 | C16 | 0.0° | 0.5° |
| C19 | C20 | C14 | C13 | 179.8° | 179.7° |
| C20 | C19 | C18 | H7 | 179.9° | 179.9° |
| C17 | C16 | C14 | C20 | 0.0° | 0.2° |
| C17 | C16 | C14 | H5 | 180.0° | 180.0° |
| C17 | C16 | C14 | C13 | 179.7° | 180.0° |
| C16 | C17 | C18 | H7 | 179.9° | 179.6° |
| C20 | C14 | C16 | C13 | 179.8° | 179.8° |
| C20 | C14 | C13 | O15 | 17.0° | 0.2° |
| C20 | C14 | C13 | N11 | 162.1° | 179.7° |
| C20 | C14 | C16 | H5 | 179.9° | 179.8° |
| C16 | C14 | C13 | O15 | 163.2° | 180.0° |
| C16 | C14 | C13 | N11 | 17.7° | 0.1° |
| C14 | C16 | C17 | H6 | 179.9° | 180.0° |
| C16 | C14 | C20 | H8 | 180.0° | 180.0° |
| C14 | C13 | O15 | N11 | 179.0° | 179.9° |
| C14 | C13 | N11 | C5 | 179.1° | 174.3° |
| C14 | C13 | N11 | H3 | 0.9° | 5.8° |
| C13 | C14 | C16 | H5 | 0.3° | 0.0° |
| C13 | C14 | C20 | H8 | 0.2° | 0.2° |
| O15 | C13 | N11 | C5 | 0.0° | 5.6° |
| O15 | C13 | N11 | H3 | 180.0° | 174.3° |
| C13 | N11 | C5 | H3 | 180.0° | 180.0° |
| C13 | N11 | C5 | C4 | 41.7° | 159.0° |
| C13 | N11 | C5 | C6 | 137.5° | 20.9° |
| N11 | C5 | C4 | F10 | 0.6° | 0.1° |
| N11 | C5 | C4 | C6 | 179.3° | 179.9° |
| N11 | C5 | C4 | C2 | 179.3° | 180.0° |
| N11 | C5 | C6 | C7 | 179.4° | 180.0° |
| N11 | C5 | C6 | H1 | 0.6° | 0.0° |
| F10 | C4 | C5 | C2 | 179.9° | 180.0° |
| F10 | C4 | C5 | C6 | 179.9° | 180.0° |
| F10 | C4 | C2 | C1 | 0.1° | 0.0° |
| F10 | C4 | C2 | C8 | 179.9° | 179.7° |
| C4 | C5 | C6 | C7 | 0.1° | 0.1° |
| C5 | C4 | C2 | C1 | 179.8° | 180.0° |
| C5 | C4 | C2 | C8 | 0.0° | 0.2° |
| C4 | C5 | C6 | H1 | 179.9° | 180.0° |
| C4 | C5 | N11 | H3 | 138.3° | 21.0° |
| C6 | C5 | C4 | C2 | 0.0° | 0.0° |
| C5 | C6 | C7 | H1 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.2° | 0.2° |
| C5 | C6 | C7 | H2 | 179.9° | 180.0° |
| C6 | C5 | N11 | H3 | 42.5° | 159.1° |
| C4 | C2 | C1 | C8 | 179.8° | 179.7° |
| C4 | C2 | C1 | O3 | 64.5° | 89.4° |
| C4 | C2 | C1 | N12 | 115.8° | 90.3° |
| C4 | C2 | C8 | C7 | 0.1° | 0.5° |
| C4 | C2 | C8 | F9 | 179.9° | 179.7° |
| C6 | C7 | C8 | C2 | 0.2° | 0.5° |
| C6 | C7 | C8 | H2 | 180.0° | 179.8° |
| C6 | C7 | C8 | F9 | 179.8° | 179.7° |
| C2 | C1 | O3 | N12 | 179.7° | 179.8° |
| C2 | C1 | N12 | C24 | 179.9° | 175.4° |
| C1 | C2 | C8 | C7 | 179.9° | 179.8° |
| C1 | C2 | C8 | F9 | 0.1° | 0.0° |
| C2 | C1 | N12 | H4 | 0.1° | 4.7° |
| C8 | C2 | C1 | O3 | 115.7° | 90.3° |
| C8 | C2 | C1 | N12 | 64.0° | 90.0° |
| C2 | C8 | C7 | F9 | 180.0° | 179.8° |
| C2 | C8 | C7 | H2 | 179.9° | 179.7° |
| O3 | C1 | N12 | C24 | 0.2° | 4.9° |
| O3 | C1 | N12 | H4 | 179.8° | 175.0° |
| C1 | N12 | C24 | H4 | 180.0° | 179.9° |
| C1 | N12 | C24 | C29 | 165.9° | 143.8° |
| C1 | N12 | C24 | C25 | 14.3° | 36.4° |
| N12 | C24 | C29 | C25 | 179.8° | 179.8° |
| N12 | C24 | C29 | N28 | 179.8° | 179.7° |
| N12 | C24 | C25 | C26 | 179.8° | 180.0° |
| N12 | C24 | C25 | H15 | 0.2° | 0.1° |
| N12 | C24 | C29 | H16 | 0.1° | 0.1° |
| C8 | C7 | C6 | H1 | 179.8° | 179.8° |
| C24 | C29 | N28 | H16 | 180.0° | 179.8° |
| C29 | C24 | C25 | C26 | 0.0° | 0.2° |
| C24 | C29 | N28 | C27 | 0.0° | 0.5° |
| C29 | C24 | N12 | H4 | 14.1° | 36.4° |
| C29 | C24 | C25 | H15 | 180.0° | 179.8° |
| C25 | C24 | C29 | N28 | 0.0° | 0.5° |
| C24 | C25 | C26 | H15 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.1° |
| C24 | C25 | C26 | C30 | 180.0° | 179.9° |
| C25 | C24 | N12 | H4 | 165.7° | 143.5° |
| C25 | C24 | C29 | H16 | 180.0° | 179.8° |
| C29 | N28 | C27 | C26 | 0.0° | 0.2° |
| C29 | N28 | C27 | N32 | 180.0° | 179.7° |
| F9 | C8 | C7 | H2 | 0.2° | 0.1° |
| C25 | C26 | C27 | N28 | 0.1° | 0.1° |
| C25 | C26 | C27 | C30 | 180.0° | 180.0° |
| C25 | C26 | C27 | N32 | 180.0° | 180.0° |
| C25 | C26 | C30 | O35 | 0.1° | 0.1° |
| C25 | C26 | C30 | N31 | 180.0° | 180.0° |
| N28 | C27 | C26 | N32 | 180.0° | 179.9° |
| N28 | C27 | C26 | C30 | 180.0° | 179.9° |
| N28 | C27 | N32 | N31 | 179.9° | 179.9° |
| C27 | N28 | C29 | H16 | 179.9° | 179.8° |
| C27 | C26 | C30 | O35 | 179.9° | 179.9° |
| C27 | C26 | C30 | N31 | 0.0° | 0.0° |
| C26 | C27 | N32 | N31 | 0.0° | 0.1° |
| C27 | C26 | C25 | H15 | 180.0° | 180.0° |
| C30 | C26 | C27 | N32 | 0.0° | 0.0° |
| C26 | C30 | O35 | N31 | 179.8° | 179.9° |
| C26 | C30 | O35 | C36 | 179.8° | 180.0° |
| C26 | C30 | N31 | N32 | 0.0° | 0.0° |
| C30 | C26 | C25 | H15 | 0.0° | 0.0° |
| C26 | C30 | N31 | H17 | 180.0° | 180.0° |
| C27 | N32 | N31 | C30 | 0.0° | 0.1° |
| C27 | N32 | N31 | H17 | 180.0° | 180.0° |
| O35 | C30 | N31 | N32 | 179.9° | 180.0° |
| O35 | C30 | N31 | H17 | 0.1° | 0.1° |
| C30 | O35 | C36 | H18 | 180.0° | 180.0° |
| C30 | O35 | C36 | H19 | 60.0° | 59.9° |
| C30 | O35 | C36 | H20 | 60.0° | 60.0° |
| N31 | C30 | O35 | C36 | 0.1° | 0.1° |
| C30 | N31 | N32 | H17 | 180.0° | 179.9° |
| O35 | C36 | H18 | H19 | 120.0° | 120.0° |
| O35 | C36 | H18 | H20 | 120.0° | 120.0° |
| O35 | C36 | H19 | H20 | 120.0° | 119.9° |
| H1 | C6 | C7 | H2 | 0.2° | 0.0° |
| H5 | C16 | C17 | H6 | 0.1° | 0.0° |
| H6 | C17 | C18 | H7 | 0.1° | 0.3° |
| H9 | C22 | H10 | H11 | 120.0° | 120.0° |
| H12 | C23 | H13 | H14 | 120.0° | 120.0° |
| H18 | C36 | H19 | H20 | 120.0° | 120.0° |
