7EK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.40Å | |
| N10 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| N10 | N9 | doub | 1.29Å | 1.27Å | Aromatic |
| N11 | C7 | sing | 1.35Å | 1.36Å | Aromatic |
| N9 | C8 | sing | 1.34Å | 1.34Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.37Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C8 | C18 | sing | 1.47Å | 1.49Å | |
| O19 | C18 | doub | 1.22Å | 1.21Å | |
| C18 | N20 | sing | 1.35Å | 1.37Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| N20 | C25 | sing | 1.47Å | 1.49Å | |
| N20 | C21 | sing | 1.46Å | 1.49Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C1 | sing | 1.43Å | 1.43Å | |
| C31 | C25 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C25 | C27 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C30 | C32 | sing | 1.51Å | 1.52Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| O33 | C32 | doub | 1.21Å | 1.22Å | |
| C32 | N34 | sing | 1.35Å | 1.37Å | |
| N34 | C35 | sing | 1.47Å | 1.48Å | |
| N34 | C39 | sing | 1.47Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C39 | C38 | sing | 1.53Å | 1.54Å | |
| C27 | N28 | sing | 1.47Å | 1.48Å | |
| N28 | C29 | sing | 1.47Å | 1.48Å | |
| C38 | O37 | sing | 1.43Å | 1.44Å | |
| O37 | C36 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| N28 | H29 | sing | 1.01Å | 1.00Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.09Å | 1.10Å | |
| C36 | H39 | sing | 1.09Å | 1.10Å | |
| C38 | H40 | sing | 1.09Å | 1.10Å | |
| C38 | H41 | sing | 1.09Å | 1.10Å | |
| C39 | H42 | sing | 1.09Å | 1.10Å | |
| C39 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 119.5° | 120.1° |
| C14 | C15 | C16 | 121.0° | 120.1° |
| C14 | C15 | H8 | 119.5° | 119.9° |
| C15 | C14 | H21 | 120.3° | 119.9° |
| C14 | C13 | C12 | 120.1° | 120.0° |
| C14 | C13 | H7 | 120.0° | 120.0° |
| C13 | C14 | H21 | 120.3° | 120.0° |
| C15 | C16 | C17 | 119.6° | 120.0° |
| C16 | C15 | H8 | 119.5° | 119.9° |
| C15 | C16 | H22 | 120.2° | 120.0° |
| C13 | C12 | C17 | 120.0° | 119.8° |
| C13 | C12 | N11 | 120.6° | 120.1° |
| C12 | C13 | H7 | 120.0° | 120.0° |
| C16 | C17 | C12 | 119.9° | 120.0° |
| C16 | C17 | H9 | 120.1° | 120.0° |
| C17 | C16 | H22 | 120.2° | 119.9° |
| C17 | C12 | N11 | 119.4° | 120.1° |
| C12 | C17 | H9 | 120.0° | 120.0° |
| C12 | N11 | N10 | 121.6° | 126.6° |
| C12 | N11 | C7 | 131.6° | 126.6° |
| N11 | N10 | N9 | 108.9° | 108.4° |
| N10 | N11 | C7 | 106.7° | 106.8° |
| N10 | N9 | C8 | 110.1° | 109.5° |
| N11 | C7 | C6 | 127.4° | 126.6° |
| N11 | C7 | C8 | 105.8° | 106.8° |
| N9 | C8 | C7 | 108.5° | 108.5° |
| N9 | C8 | C18 | 121.8° | 125.8° |
| C6 | C7 | C8 | 126.7° | 126.6° |
| C7 | C6 | C5 | 108.5° | 109.5° |
| C7 | C6 | H5 | 109.7° | 109.4° |
| C7 | C6 | H6 | 109.7° | 109.4° |
| C7 | C8 | C18 | 129.7° | 125.8° |
| C6 | C5 | C4 | 111.3° | 109.5° |
| C6 | C5 | H3 | 109.0° | 109.5° |
| C6 | C5 | H4 | 109.1° | 109.5° |
| C5 | C6 | H5 | 109.7° | 109.5° |
| C5 | C6 | H6 | 109.7° | 109.5° |
| C8 | C18 | O19 | 115.8° | 120.0° |
| C8 | C18 | N20 | 125.7° | 120.0° |
| O19 | C18 | N20 | 118.5° | 120.0° |
| C18 | N20 | C25 | 117.0° | 120.0° |
| C18 | N20 | C21 | 123.2° | 120.0° |
| C5 | C4 | C3 | 110.1° | 109.4° |
| C5 | C4 | H1 | 109.3° | 109.5° |
| C5 | C4 | H2 | 109.3° | 109.5° |
| C4 | C5 | H3 | 109.0° | 109.5° |
| C4 | C5 | H4 | 109.0° | 109.5° |
| C4 | C3 | O2 | 113.2° | 109.5° |
| C3 | C4 | H1 | 109.3° | 109.5° |
| C3 | C4 | H2 | 109.3° | 109.4° |
| C4 | C3 | H19 | 108.5° | 109.5° |
| C4 | C3 | H20 | 108.6° | 109.5° |
| C25 | N20 | C21 | 119.8° | 120.1° |
| N20 | C25 | C31 | 109.7° | 109.5° |
| N20 | C25 | C27 | 112.0° | 109.5° |
| N20 | C25 | H26 | 107.7° | 109.4° |
| N20 | C21 | C22 | 117.0° | 109.5° |
| N20 | C21 | H10 | 107.6° | 109.5° |
| N20 | C21 | H11 | 107.5° | 109.5° |
| C3 | O2 | C1 | 112.1° | 114.0° |
| O2 | C3 | H19 | 108.5° | 109.4° |
| O2 | C3 | H20 | 108.5° | 109.5° |
| O2 | C1 | H16 | 109.5° | 109.5° |
| O2 | C1 | H17 | 109.5° | 109.5° |
| O2 | C1 | H18 | 109.4° | 109.5° |
| C25 | C31 | C30 | 112.4° | 109.2° |
| C31 | C25 | C27 | 113.0° | 109.3° |
| C31 | C25 | H26 | 107.0° | 109.6° |
| C25 | C31 | H34 | 108.7° | 109.5° |
| C25 | C31 | H35 | 108.7° | 109.5° |
| C31 | C30 | C32 | 111.0° | 109.5° |
| C31 | C30 | C29 | 109.5° | 109.3° |
| C31 | C30 | H33 | 108.5° | 109.5° |
| C30 | C31 | H34 | 108.7° | 109.6° |
| C30 | C31 | H35 | 108.7° | 109.5° |
| C25 | C27 | N28 | 111.4° | 109.5° |
| C27 | C25 | H26 | 107.1° | 109.5° |
| C25 | C27 | H27 | 109.0° | 109.4° |
| C25 | C27 | H28 | 109.0° | 109.5° |
| C21 | C22 | C24 | 108.0° | 109.5° |
| C21 | C22 | C23 | 113.3° | 109.5° |
| C22 | C21 | H10 | 107.6° | 109.5° |
| C22 | C21 | H11 | 107.6° | 109.5° |
| C21 | C22 | H12 | 108.4° | 109.4° |
| C24 | C22 | C23 | 110.1° | 109.5° |
| C24 | C22 | H12 | 108.5° | 109.5° |
| C22 | C24 | H13 | 109.5° | 109.5° |
| C22 | C24 | H14 | 109.4° | 109.5° |
| C22 | C24 | H15 | 109.5° | 109.5° |
| C23 | C22 | H12 | 108.4° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C32 | C30 | C29 | 110.2° | 109.5° |
| C30 | C32 | O33 | 117.7° | 120.0° |
| C30 | C32 | N34 | 123.6° | 120.0° |
| C32 | C30 | H33 | 108.9° | 109.5° |
| C30 | C29 | N28 | 107.8° | 109.6° |
| C30 | C29 | H31 | 109.9° | 109.5° |
| C30 | C29 | H32 | 109.9° | 109.5° |
| C29 | C30 | H33 | 108.7° | 109.5° |
| O33 | C32 | N34 | 118.8° | 120.0° |
| C32 | N34 | C35 | 123.7° | 121.0° |
| C32 | N34 | C39 | 120.5° | 121.0° |
| C35 | N34 | C39 | 115.8° | 118.0° |
| N34 | C35 | C36 | 105.1° | 108.3° |
| N34 | C35 | H36 | 110.6° | 109.7° |
| N34 | C35 | H37 | 110.5° | 109.7° |
| N34 | C39 | C38 | 109.5° | 108.6° |
| N34 | C39 | H42 | 109.5° | 109.7° |
| N34 | C39 | H43 | 109.4° | 109.7° |
| C35 | C36 | O37 | 108.8° | 109.2° |
| C36 | C35 | H36 | 110.6° | 109.7° |
| C36 | C35 | H37 | 110.6° | 109.7° |
| C35 | C36 | H38 | 109.6° | 109.5° |
| C35 | C36 | H39 | 109.7° | 109.5° |
| C39 | C38 | O37 | 108.6° | 109.3° |
| C39 | C38 | H40 | 109.7° | 109.6° |
| C39 | C38 | H41 | 109.7° | 109.4° |
| C38 | C39 | H42 | 109.5° | 109.6° |
| C38 | C39 | H43 | 109.5° | 109.5° |
| C27 | N28 | C29 | 111.9° | 111.2° |
| N28 | C27 | H27 | 109.0° | 109.4° |
| N28 | C27 | H28 | 109.0° | 109.5° |
| C27 | N28 | H29 | 108.9° | 111.0° |
| C29 | N28 | H29 | 108.9° | 111.1° |
| N28 | C29 | H31 | 109.9° | 109.5° |
| N28 | C29 | H32 | 109.9° | 109.4° |
| C38 | O37 | C36 | 115.8° | 114.2° |
| O37 | C38 | H40 | 109.7° | 109.5° |
| O37 | C38 | H41 | 109.7° | 109.5° |
| O37 | C36 | H38 | 109.6° | 109.5° |
| O37 | C36 | H39 | 109.6° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.4° | 109.4° |
| H5 | C6 | H6 | 109.4° | 109.5° |
| H10 | C21 | H11 | 109.5° | 109.4° |
| H13 | C24 | H14 | 109.5° | 109.5° |
| H13 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.4° |
| H16 | C1 | H17 | 109.5° | 109.4° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H19 | C3 | H20 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H25 | 109.4° | 109.4° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H27 | C27 | H28 | 109.5° | 109.4° |
| H31 | C29 | H32 | 109.5° | 109.4° |
| H34 | C31 | H35 | 109.5° | 109.6° |
| H36 | C35 | H37 | 109.5° | 109.8° |
| H38 | C36 | H39 | 109.5° | 109.5° |
| H40 | C38 | H41 | 109.5° | 109.5° |
| H42 | C39 | H43 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H21 | 180.0° | 179.9° |
| C14 | C15 | C16 | H8 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.7° | 0.0° |
| C14 | C15 | C16 | C17 | 0.7° | 0.2° |
| C15 | C14 | C13 | H7 | 179.3° | 179.7° |
| C14 | C15 | C16 | H22 | 179.3° | 179.7° |
| C13 | C14 | C15 | C16 | 0.4° | 0.1° |
| C14 | C13 | C12 | H7 | 180.0° | 179.8° |
| C14 | C13 | C12 | C17 | 1.3° | 0.3° |
| C14 | C13 | C12 | N11 | 178.2° | 179.8° |
| C13 | C14 | C15 | H8 | 179.5° | 179.7° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 1.3° | 0.6° |
| C15 | C16 | C17 | H9 | 178.8° | 180.0° |
| C16 | C15 | C14 | H21 | 179.6° | 180.0° |
| C13 | C12 | C17 | C16 | 1.6° | 0.6° |
| C13 | C12 | C17 | N11 | 176.9° | 180.0° |
| C13 | C12 | N11 | N10 | 129.4° | 44.3° |
| C13 | C12 | N11 | C7 | 48.2° | 135.3° |
| C13 | C12 | C17 | H9 | 178.5° | 180.0° |
| C12 | C13 | C14 | H21 | 179.3° | 180.0° |
| C16 | C17 | C12 | H9 | 180.0° | 179.4° |
| C16 | C17 | C12 | N11 | 178.5° | 179.5° |
| C17 | C16 | C15 | H8 | 179.3° | 180.0° |
| C17 | C12 | N11 | N10 | 47.5° | 135.7° |
| C17 | C12 | N11 | C7 | 134.9° | 44.8° |
| C17 | C12 | C13 | H7 | 178.7° | 180.0° |
| C12 | C17 | C16 | H22 | 178.7° | 179.4° |
| C12 | N11 | N10 | C7 | 178.1° | 179.6° |
| C12 | N11 | N10 | N9 | 178.8° | 180.0° |
| C12 | N11 | C7 | C6 | 2.3° | 0.3° |
| C12 | N11 | C7 | C8 | 179.0° | 180.0° |
| N11 | C12 | C13 | H7 | 1.8° | 0.0° |
| N11 | C12 | C17 | H9 | 1.5° | 0.0° |
| N11 | N10 | N9 | C8 | 0.1° | 0.2° |
| N10 | N11 | C7 | C6 | 179.8° | 179.9° |
| N10 | N11 | C7 | C8 | 1.2° | 0.4° |
| N9 | N10 | N11 | C7 | 0.7° | 0.4° |
| N10 | N9 | C8 | C7 | 0.8° | 0.0° |
| N10 | N9 | C8 | C18 | 178.9° | 179.9° |
| N11 | C7 | C8 | N9 | 1.2° | 0.3° |
| N11 | C7 | C6 | C8 | 178.3° | 179.7° |
| N11 | C7 | C6 | C5 | 70.7° | 88.4° |
| N11 | C7 | C8 | C18 | 179.1° | 179.8° |
| N11 | C7 | C6 | H5 | 49.1° | 151.6° |
| N11 | C7 | C6 | H6 | 169.4° | 31.6° |
| N9 | C8 | C7 | C6 | 179.9° | 180.0° |
| N9 | C8 | C7 | C18 | 177.9° | 179.9° |
| N9 | C8 | C18 | O19 | 118.4° | 174.4° |
| N9 | C8 | C18 | N20 | 59.3° | 5.5° |
| C7 | C6 | C5 | H5 | 119.9° | 120.0° |
| C7 | C6 | C5 | H6 | 119.9° | 120.0° |
| C6 | C7 | C8 | C18 | 2.2° | 0.1° |
| C7 | C6 | C5 | C4 | 161.4° | 175.0° |
| C7 | C6 | C5 | H3 | 78.3° | 55.0° |
| C7 | C6 | C5 | H4 | 41.1° | 64.9° |
| C7 | C6 | H5 | H6 | 120.4° | 119.9° |
| C8 | C7 | C6 | C5 | 107.6° | 91.9° |
| C7 | C8 | C18 | O19 | 59.3° | 5.7° |
| C7 | C8 | C18 | N20 | 123.1° | 174.4° |
| C8 | C7 | C6 | H5 | 132.5° | 28.1° |
| C8 | C7 | C6 | H6 | 12.3° | 148.1° |
| C6 | C5 | C4 | H3 | 120.3° | 120.0° |
| C6 | C5 | C4 | H4 | 120.3° | 120.0° |
| C6 | C5 | C4 | C3 | 85.5° | 180.0° |
| C6 | C5 | C4 | H1 | 154.4° | 60.0° |
| C6 | C5 | C4 | H2 | 34.6° | 60.1° |
| C6 | C5 | H3 | H4 | 119.2° | 119.9° |
| C5 | C6 | H5 | H6 | 120.4° | 120.0° |
| C8 | C18 | O19 | N20 | 177.8° | 179.9° |
| C8 | C18 | N20 | C25 | 177.4° | 174.7° |
| C8 | C18 | N20 | C21 | 0.6° | 5.4° |
| O19 | C18 | N20 | C25 | 0.2° | 5.2° |
| O19 | C18 | N20 | C21 | 178.2° | 174.7° |
| C18 | N20 | C25 | C21 | 178.0° | 179.9° |
| C18 | N20 | C25 | C31 | 114.1° | 59.8° |
| C18 | N20 | C25 | C27 | 119.6° | 60.1° |
| C18 | N20 | C21 | C22 | 56.9° | 90.6° |
| C18 | N20 | C21 | H10 | 178.0° | 29.4° |
| C18 | N20 | C21 | H11 | 64.2° | 149.3° |
| C18 | N20 | C25 | H26 | 2.1° | 179.9° |
| C5 | C4 | C3 | H1 | 120.1° | 120.0° |
| C5 | C4 | C3 | H2 | 120.1° | 120.0° |
| C5 | C4 | C3 | O2 | 173.1° | 180.0° |
| C5 | C4 | H1 | H2 | 119.7° | 120.1° |
| C4 | C5 | H3 | H4 | 119.2° | 120.0° |
| C4 | C5 | C6 | H5 | 41.5° | 65.0° |
| C4 | C5 | C6 | H6 | 78.7° | 55.1° |
| C5 | C4 | C3 | H19 | 66.4° | 60.0° |
| C5 | C4 | C3 | H20 | 52.5° | 60.0° |
| C4 | C3 | O2 | H19 | 120.5° | 120.0° |
| C4 | C3 | O2 | H20 | 120.6° | 120.0° |
| C4 | C3 | O2 | C1 | 153.6° | 180.0° |
| C3 | C4 | H1 | H2 | 119.7° | 119.9° |
| C3 | C4 | C5 | H3 | 34.8° | 60.0° |
| C3 | C4 | C5 | H4 | 154.2° | 60.0° |
| C4 | C3 | H19 | H20 | 118.4° | 120.0° |
| N20 | C25 | C31 | C27 | 125.7° | 120.0° |
| N20 | C25 | C31 | H26 | 116.6° | 120.1° |
| N20 | C25 | C31 | C30 | 170.1° | 177.6° |
| N20 | C25 | C27 | H26 | 117.9° | 120.0° |
| C25 | N20 | C21 | C22 | 125.2° | 89.3° |
| N20 | C25 | C27 | N28 | 171.1° | 179.1° |
| C25 | N20 | C21 | H10 | 4.1° | 150.7° |
| C25 | N20 | C21 | H11 | 113.7° | 30.7° |
| N20 | C25 | C27 | H27 | 50.8° | 59.2° |
| N20 | C25 | C27 | H28 | 68.6° | 60.8° |
| N20 | C25 | C31 | H34 | 69.5° | 62.5° |
| N20 | C25 | C31 | H35 | 49.6° | 57.7° |
| C21 | N20 | C25 | C31 | 63.9° | 120.1° |
| C21 | N20 | C25 | C27 | 62.4° | 120.0° |
| N20 | C21 | C22 | H10 | 121.1° | 120.0° |
| N20 | C21 | C22 | H11 | 121.1° | 120.0° |
| N20 | C21 | C22 | C24 | 170.6° | 175.2° |
| N20 | C21 | C22 | C23 | 67.1° | 64.8° |
| N20 | C21 | H10 | H11 | 116.6° | 120.0° |
| N20 | C21 | C22 | H12 | 53.3° | 55.2° |
| C21 | N20 | C25 | H26 | 179.9° | 0.0° |
| O2 | C3 | C4 | H1 | 53.0° | 60.0° |
| O2 | C3 | C4 | H2 | 66.8° | 60.0° |
| C3 | O2 | C1 | H16 | 180.0° | 60.0° |
| C3 | O2 | C1 | H17 | 60.0° | 60.0° |
| C3 | O2 | C1 | H18 | 60.0° | 180.0° |
| O2 | C3 | H19 | H20 | 118.3° | 120.0° |
| O2 | C1 | H16 | H17 | 120.0° | 120.0° |
| O2 | C1 | H16 | H18 | 120.0° | 120.1° |
| O2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C1 | O2 | C3 | H19 | 33.0° | 60.0° |
| C1 | O2 | C3 | H20 | 85.9° | 60.0° |
| C25 | C31 | C30 | H34 | 120.4° | 120.0° |
| C25 | C31 | C30 | H35 | 120.5° | 119.9° |
| C31 | C25 | C27 | H26 | 117.6° | 120.0° |
| C25 | C31 | C30 | C32 | 173.7° | 177.6° |
| C25 | C31 | C30 | C29 | 51.9° | 57.6° |
| C31 | C25 | C27 | N28 | 46.6° | 59.2° |
| C31 | C25 | C27 | H27 | 73.7° | 60.8° |
| C31 | C25 | C27 | H28 | 166.9° | 179.2° |
| C25 | C31 | C30 | H33 | 66.6° | 62.3° |
| C25 | C31 | H34 | H35 | 118.6° | 120.2° |
| C30 | C31 | C25 | C27 | 44.4° | 57.6° |
| C31 | C30 | C32 | C29 | 121.4° | 119.8° |
| C31 | C30 | C32 | H33 | 119.4° | 120.0° |
| C31 | C30 | C29 | H33 | 118.4° | 119.9° |
| C31 | C30 | C32 | O33 | 31.0° | 32.3° |
| C31 | C30 | C32 | N34 | 148.5° | 147.7° |
| C31 | C30 | C29 | N28 | 61.9° | 59.2° |
| C30 | C31 | C25 | H26 | 73.3° | 62.4° |
| C31 | C30 | C29 | H31 | 178.3° | 60.9° |
| C31 | C30 | C29 | H32 | 57.8° | 179.2° |
| C30 | C31 | H34 | H35 | 118.6° | 120.1° |
| C25 | C27 | N28 | H27 | 120.3° | 120.0° |
| C25 | C27 | N28 | H28 | 120.3° | 120.1° |
| C25 | C27 | N28 | C29 | 58.9° | 61.7° |
| C25 | C27 | H27 | H28 | 119.1° | 120.0° |
| C25 | C27 | N28 | H29 | 179.2° | 174.2° |
| C27 | C25 | C31 | H34 | 164.8° | 177.6° |
| C27 | C25 | C31 | H35 | 76.1° | 62.2° |
| C21 | C22 | C24 | C23 | 124.2° | 120.0° |
| C21 | C22 | C24 | H12 | 117.3° | 120.0° |
| C21 | C22 | C23 | H12 | 120.4° | 120.0° |
| C22 | C21 | H10 | H11 | 116.6° | 120.0° |
| C21 | C22 | C24 | H13 | 180.0° | 60.0° |
| C21 | C22 | C24 | H14 | 60.0° | 180.0° |
| C21 | C22 | C24 | H15 | 60.0° | 60.0° |
| C21 | C22 | C23 | H23 | 180.0° | 176.1° |
| C21 | C22 | C23 | H24 | 60.0° | 56.1° |
| C21 | C22 | C23 | H25 | 60.0° | 63.9° |
| C24 | C22 | C23 | H12 | 118.5° | 120.0° |
| C24 | C22 | C21 | H10 | 68.3° | 64.8° |
| C24 | C22 | C21 | H11 | 49.5° | 55.1° |
| C22 | C24 | H13 | H14 | 120.0° | 120.0° |
| C22 | C24 | H13 | H15 | 120.0° | 120.0° |
| C22 | C24 | H14 | H15 | 120.0° | 120.0° |
| C24 | C22 | C23 | H23 | 58.9° | 56.1° |
| C24 | C22 | C23 | H24 | 178.9° | 63.9° |
| C24 | C22 | C23 | H25 | 61.1° | 176.1° |
| C23 | C22 | C21 | H10 | 54.0° | 55.2° |
| C23 | C22 | C21 | H11 | 171.8° | 175.1° |
| C23 | C22 | C24 | H13 | 55.8° | 60.0° |
| C23 | C22 | C24 | H14 | 64.3° | 60.0° |
| C23 | C22 | C24 | H15 | 175.8° | 180.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C32 | C30 | C29 | H33 | 119.3° | 120.1° |
| C30 | C32 | O33 | N34 | 179.5° | 180.0° |
| C30 | C32 | N34 | C35 | 1.0° | 175.3° |
| C30 | C32 | N34 | C39 | 179.6° | 4.5° |
| C32 | C30 | C29 | N28 | 175.8° | 179.1° |
| C32 | C30 | C29 | H31 | 56.0° | 59.1° |
| C32 | C30 | C29 | H32 | 64.5° | 60.8° |
| C32 | C30 | C31 | H34 | 65.9° | 62.4° |
| C32 | C30 | C31 | H35 | 53.2° | 57.7° |
| C29 | C30 | C32 | O33 | 90.5° | 87.5° |
| C29 | C30 | C32 | N34 | 90.0° | 92.5° |
| C30 | C29 | N28 | C27 | 66.7° | 61.7° |
| C30 | C29 | N28 | H31 | 119.7° | 120.0° |
| C30 | C29 | N28 | H32 | 119.7° | 120.0° |
| C30 | C29 | N28 | H29 | 172.9° | 174.2° |
| C30 | C29 | H31 | H32 | 120.8° | 119.9° |
| C29 | C30 | C31 | H34 | 172.3° | 177.5° |
| C29 | C30 | C31 | H35 | 68.6° | 62.3° |
| O33 | C32 | N34 | C35 | 179.5° | 4.7° |
| O33 | C32 | N34 | C39 | 0.1° | 175.5° |
| O33 | C32 | C30 | H33 | 150.4° | 152.4° |
| C32 | N34 | C35 | C39 | 179.4° | 179.8° |
| C32 | N34 | C35 | C36 | 121.4° | 129.5° |
| C32 | N34 | C39 | C38 | 124.7° | 129.5° |
| N34 | C32 | C30 | H33 | 29.1° | 27.7° |
| C32 | N34 | C35 | H36 | 2.1° | 110.8° |
| C32 | N34 | C35 | H37 | 119.3° | 9.8° |
| C32 | N34 | C39 | H42 | 115.3° | 9.8° |
| C32 | N34 | C39 | H43 | 4.7° | 110.8° |
| N34 | C35 | C36 | H36 | 119.3° | 119.7° |
| N34 | C35 | C36 | H37 | 119.3° | 119.7° |
| C35 | N34 | C39 | C38 | 54.8° | 50.3° |
| N34 | C35 | C36 | O37 | 58.4° | 52.3° |
| N34 | C35 | H36 | H37 | 122.0° | 120.5° |
| N34 | C35 | C36 | H38 | 61.5° | 172.2° |
| N34 | C35 | C36 | H39 | 178.3° | 67.7° |
| C35 | N34 | C39 | H42 | 65.2° | 170.0° |
| C35 | N34 | C39 | H43 | 174.8° | 69.4° |
| C39 | N34 | C35 | C36 | 58.0° | 50.3° |
| N34 | C39 | C38 | H42 | 120.0° | 119.8° |
| N34 | C39 | C38 | H43 | 120.0° | 119.8° |
| N34 | C39 | C38 | O37 | 49.4° | 52.1° |
| C39 | N34 | C35 | H36 | 177.3° | 69.4° |
| C39 | N34 | C35 | H37 | 61.3° | 170.0° |
| N34 | C39 | C38 | H40 | 169.3° | 172.1° |
| N34 | C39 | C38 | H41 | 70.5° | 67.8° |
| N34 | C39 | H42 | H43 | 120.0° | 120.6° |
| C35 | C36 | O37 | C38 | 63.7° | 62.6° |
| C35 | C36 | O37 | H38 | 119.9° | 119.9° |
| C35 | C36 | O37 | H39 | 119.9° | 120.0° |
| C36 | C35 | H36 | H37 | 122.0° | 120.6° |
| C35 | C36 | H38 | H39 | 120.3° | 120.1° |
| C39 | C38 | O37 | H40 | 119.9° | 120.1° |
| C39 | C38 | O37 | H41 | 119.9° | 119.8° |
| C39 | C38 | O37 | C36 | 57.8° | 62.4° |
| C39 | C38 | H40 | H41 | 120.4° | 120.0° |
| C38 | C39 | H42 | H43 | 120.0° | 120.3° |
| C27 | N28 | C29 | H29 | 120.4° | 124.1° |
| N28 | C27 | C25 | H26 | 71.0° | 60.9° |
| N28 | C27 | H27 | H28 | 119.1° | 120.0° |
| C27 | N28 | C29 | H31 | 173.5° | 58.3° |
| C27 | N28 | C29 | H32 | 53.0° | 178.2° |
| C29 | N28 | C27 | H27 | 61.4° | 58.3° |
| C29 | N28 | C27 | H28 | 179.2° | 178.2° |
| N28 | C29 | H31 | H32 | 120.7° | 119.9° |
| N28 | C29 | C30 | H33 | 56.5° | 60.8° |
| C38 | O37 | C36 | H38 | 56.2° | 177.5° |
| C38 | O37 | C36 | H39 | 176.3° | 57.4° |
| O37 | C38 | H40 | H41 | 120.4° | 120.1° |
| O37 | C38 | C39 | H42 | 70.6° | 171.9° |
| O37 | C38 | C39 | H43 | 169.4° | 67.7° |
| O37 | C36 | C35 | H36 | 177.7° | 67.4° |
| O37 | C36 | C35 | H37 | 60.9° | 172.0° |
| O37 | C36 | H38 | H39 | 120.3° | 120.1° |
| C36 | O37 | C38 | H40 | 177.7° | 177.5° |
| C36 | O37 | C38 | H41 | 62.1° | 57.4° |
| H1 | C4 | C5 | H3 | 85.3° | 60.0° |
| H1 | C4 | C5 | H4 | 34.1° | 180.0° |
| H1 | C4 | C3 | H19 | 173.5° | 179.9° |
| H1 | C4 | C3 | H20 | 67.6° | 60.0° |
| H2 | C4 | C5 | H3 | 154.9° | 179.9° |
| H2 | C4 | C5 | H4 | 85.7° | 59.9° |
| H2 | C4 | C3 | H19 | 53.7° | 59.9° |
| H2 | C4 | C3 | H20 | 172.6° | 180.0° |
| H3 | C5 | C6 | H5 | 161.8° | 175.0° |
| H3 | C5 | C6 | H6 | 41.6° | 65.0° |
| H4 | C5 | C6 | H5 | 78.8° | 55.1° |
| H4 | C5 | C6 | H6 | 161.0° | 175.1° |
| H7 | C13 | C14 | H21 | 0.7° | 0.2° |
| H8 | C15 | C14 | H21 | 0.4° | 0.2° |
| H8 | C15 | C16 | H22 | 0.7° | 0.1° |
| H9 | C17 | C16 | H22 | 1.2° | 0.0° |
| H10 | C21 | C22 | H12 | 174.3° | 175.2° |
| H11 | C21 | C22 | H12 | 67.8° | 64.8° |
| H12 | C22 | C24 | H13 | 62.7° | 180.0° |
| H12 | C22 | C24 | H14 | 177.3° | 60.0° |
| H12 | C22 | C24 | H15 | 57.3° | 60.0° |
| H12 | C22 | C23 | H23 | 59.6° | 63.9° |
| H12 | C22 | C23 | H24 | 60.4° | 176.1° |
| H12 | C22 | C23 | H25 | 179.6° | 56.0° |
| H13 | C24 | H14 | H15 | 120.0° | 120.0° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
| H26 | C25 | C27 | H27 | 168.7° | 179.1° |
| H26 | C25 | C27 | H28 | 49.3° | 59.2° |
| H26 | C25 | C31 | H34 | 47.1° | 57.6° |
| H26 | C25 | C31 | H35 | 166.2° | 177.8° |
| H27 | C27 | N28 | H29 | 59.0° | 65.8° |
| H28 | C27 | N28 | H29 | 60.4° | 54.1° |
| H29 | N28 | C29 | H31 | 53.2° | 65.8° |
| H29 | N28 | C29 | H32 | 67.4° | 54.2° |
| H31 | C29 | C30 | H33 | 63.3° | 179.2° |
| H32 | C29 | C30 | H33 | 176.2° | 59.3° |
| H33 | C30 | C31 | H34 | 53.8° | 57.6° |
| H33 | C30 | C31 | H35 | 172.9° | 177.8° |
| H36 | C35 | C36 | H38 | 57.8° | 52.5° |
| H36 | C35 | C36 | H39 | 62.4° | 172.6° |
| H37 | C35 | C36 | H38 | 179.2° | 68.1° |
| H37 | C35 | C36 | H39 | 58.9° | 52.0° |
| H40 | C38 | C39 | H42 | 49.3° | 68.1° |
| H40 | C38 | C39 | H43 | 70.7° | 52.3° |
| H41 | C38 | C39 | H42 | 169.5° | 52.0° |
| H41 | C38 | C39 | H43 | 49.5° | 172.4° |
