G6G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | O7 | sing | 1.36Å | 1.39Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N9 | sing | 1.40Å | 1.36Å | |
| C8 | O7 | sing | 1.43Å | 1.48Å | |
| C10 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C10 | N15 | sing | 1.33Å | 1.36Å | Aromatic |
| C10 | N9 | sing | 1.38Å | 1.35Å | |
| C12 | C16 | sing | 1.48Å | 1.40Å | Aromatic |
| C12 | N11 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | N13 | doub | 1.33Å | 1.35Å | Aromatic |
| C14 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | N15 | doub | 1.32Å | 1.32Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | N40 | sing | 1.47Å | 1.49Å | |
| C42 | N43 | sing | 1.47Å | 1.46Å | |
| N43 | C46 | sing | 1.47Å | 1.48Å | |
| N43 | C44 | sing | 1.47Å | 1.49Å | |
| C44 | C45 | sing | 1.53Å | 1.54Å | |
| C45 | N40 | sing | 1.47Å | 1.49Å | |
| N40 | C39 | sing | 1.47Å | 1.49Å | |
| C39 | C36 | sing | 1.51Å | 1.53Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C32 | doub | 1.40Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.48Å | 1.54Å | |
| C31 | O33 | doub | 1.22Å | 1.23Å | |
| C31 | N30 | sing | 1.35Å | 1.35Å | |
| N30 | C25 | sing | 1.40Å | 1.34Å | |
| C25 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C28 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | N22 | sing | 1.40Å | 1.36Å | |
| N22 | C21 | sing | 1.39Å | 1.35Å | |
| C21 | N20 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| N20 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C42 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H42A | sing | 1.09Å | 1.10Å | |
| C46 | H46 | sing | 1.09Å | 1.10Å | |
| C46 | H46A | sing | 1.09Å | 1.10Å | |
| C46 | H46B | sing | 1.09Å | 1.10Å | |
| C44 | H44 | sing | 1.09Å | 1.10Å | |
| C44 | H44A | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.0° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C2 | C1 | H1 | 119.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C1 | C6 | C5 | 117.5° | 120.0° |
| C1 | C6 | N9 | 118.7° | 120.0° |
| C6 | C1 | H1 | 119.0° | 120.0° |
| C2 | C3 | C4 | 118.1° | 120.0° |
| C2 | C3 | O7 | 122.0° | 119.9° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C4 | C3 | O7 | 120.0° | 120.0° |
| C3 | C4 | C5 | 121.3° | 120.0° |
| C3 | C4 | H4 | 119.3° | 120.0° |
| C3 | O7 | C8 | 113.2° | 117.0° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C5 | C4 | H4 | 119.4° | 120.0° |
| C4 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | N9 | 123.8° | 120.0° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C6 | N9 | C10 | 128.9° | 120.0° |
| C6 | N9 | HN9 | 115.6° | 120.0° |
| O7 | C8 | H8 | 109.5° | 109.5° |
| O7 | C8 | H8A | 109.5° | 109.5° |
| O7 | C8 | H8B | 109.5° | 109.5° |
| N11 | C10 | N15 | 119.0° | 119.9° |
| N11 | C10 | N9 | 121.0° | 120.0° |
| C10 | N11 | C12 | 121.7° | 119.8° |
| N15 | C10 | N9 | 120.0° | 120.1° |
| C10 | N15 | C14 | 119.4° | 120.1° |
| C10 | N9 | HN9 | 115.5° | 120.1° |
| C16 | C12 | N11 | 118.5° | 120.1° |
| C16 | C12 | N13 | 123.5° | 120.1° |
| C12 | C16 | C21 | 123.5° | 120.6° |
| C12 | C16 | C17 | 117.8° | 120.6° |
| N11 | C12 | N13 | 118.1° | 119.8° |
| C12 | N13 | C14 | 120.3° | 120.1° |
| N13 | C14 | N15 | 121.4° | 120.2° |
| N13 | C14 | H14 | 119.3° | 119.9° |
| N15 | C14 | H14 | 119.3° | 119.9° |
| C42 | C41 | N40 | 107.6° | 109.4° |
| C41 | C42 | N43 | 106.8° | 109.3° |
| C42 | C41 | H41 | 110.1° | 109.5° |
| C42 | C41 | H41A | 110.5° | 109.5° |
| C41 | C42 | H42 | 110.4° | 109.5° |
| C41 | C42 | H42A | 111.0° | 109.5° |
| C41 | N40 | C45 | 112.6° | 110.9° |
| C41 | N40 | C39 | 115.3° | 111.0° |
| N40 | C41 | H41 | 110.1° | 109.5° |
| N40 | C41 | H41A | 110.5° | 109.5° |
| C42 | N43 | C46 | 111.2° | 111.0° |
| C42 | N43 | C44 | 114.0° | 110.9° |
| N43 | C42 | H42 | 110.4° | 109.5° |
| N43 | C42 | H42A | 111.0° | 109.5° |
| C46 | N43 | C44 | 112.5° | 111.0° |
| N43 | C46 | H46 | 109.5° | 109.4° |
| N43 | C46 | H46A | 109.4° | 109.5° |
| N43 | C46 | H46B | 109.5° | 109.5° |
| N43 | C44 | C45 | 109.0° | 109.3° |
| N43 | C44 | H44 | 109.6° | 109.5° |
| N43 | C44 | H44A | 109.7° | 109.5° |
| C44 | C45 | N40 | 110.3° | 109.3° |
| C45 | C44 | H44 | 109.6° | 109.5° |
| C45 | C44 | H44A | 109.7° | 109.5° |
| C44 | C45 | H45 | 109.2° | 109.5° |
| C44 | C45 | H45A | 109.0° | 109.5° |
| C45 | N40 | C39 | 111.6° | 111.0° |
| N40 | C45 | H45 | 109.2° | 109.5° |
| N40 | C45 | H45A | 109.0° | 109.5° |
| N40 | C39 | C36 | 112.9° | 109.5° |
| N40 | C39 | H39 | 108.3° | 109.5° |
| N40 | C39 | H39A | 107.6° | 109.5° |
| C39 | C36 | C37 | 118.2° | 119.9° |
| C39 | C36 | C35 | 122.2° | 119.8° |
| C36 | C39 | H39 | 108.4° | 109.4° |
| C36 | C39 | H39A | 107.6° | 109.5° |
| C37 | C36 | C35 | 119.6° | 120.3° |
| C36 | C37 | C38 | 119.8° | 120.1° |
| C36 | C37 | H37 | 120.1° | 119.9° |
| C36 | C35 | C34 | 120.4° | 120.1° |
| C36 | C35 | H35 | 119.8° | 120.0° |
| C37 | C38 | C32 | 120.9° | 119.9° |
| C38 | C37 | H37 | 120.1° | 119.9° |
| C37 | C38 | H38 | 119.5° | 120.1° |
| C38 | C32 | C34 | 119.4° | 119.7° |
| C38 | C32 | C31 | 117.4° | 120.1° |
| C32 | C38 | H38 | 119.6° | 120.1° |
| C35 | C34 | C32 | 119.8° | 119.9° |
| C34 | C35 | H35 | 119.8° | 119.9° |
| C35 | C34 | H34 | 120.1° | 120.0° |
| C34 | C32 | C31 | 123.2° | 120.2° |
| C32 | C34 | H34 | 120.1° | 120.1° |
| C32 | C31 | O33 | 118.3° | 120.0° |
| C32 | C31 | N30 | 115.8° | 120.0° |
| O33 | C31 | N30 | 125.9° | 120.0° |
| C31 | N30 | C25 | 127.9° | 120.0° |
| C31 | N30 | HN30 | 116.0° | 120.0° |
| N30 | C25 | C24 | 124.7° | 120.0° |
| N30 | C25 | C26 | 117.0° | 120.0° |
| C25 | N30 | HN30 | 116.1° | 120.0° |
| C24 | C25 | C26 | 118.3° | 120.0° |
| C25 | C24 | C23 | 122.0° | 119.9° |
| C25 | C24 | H24 | 119.0° | 120.1° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C24 | C23 | C28 | 118.4° | 119.9° |
| C24 | C23 | N22 | 121.2° | 120.1° |
| C23 | C24 | H24 | 119.0° | 120.1° |
| C26 | C27 | C28 | 121.8° | 120.1° |
| C27 | C26 | H26 | 119.9° | 119.9° |
| C26 | C27 | H27 | 119.1° | 119.9° |
| C27 | C28 | C29 | 118.7° | 119.9° |
| C27 | C28 | C23 | 119.4° | 120.1° |
| C28 | C27 | H27 | 119.1° | 120.0° |
| C29 | C28 | C23 | 121.9° | 120.0° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H29A | 109.5° | 109.4° |
| C28 | C29 | H29B | 109.5° | 109.5° |
| C28 | C23 | N22 | 120.4° | 120.0° |
| C23 | N22 | C21 | 123.6° | 120.0° |
| C23 | N22 | HN22 | 118.2° | 120.0° |
| N22 | C21 | N20 | 118.0° | 119.8° |
| N22 | C21 | C16 | 121.9° | 119.8° |
| C21 | N22 | HN22 | 118.2° | 120.0° |
| N20 | C21 | C16 | 120.1° | 120.4° |
| C21 | N20 | C19 | 122.7° | 121.7° |
| C21 | C16 | C17 | 118.6° | 118.8° |
| N20 | C19 | C18 | 120.1° | 121.1° |
| N20 | C19 | H19 | 119.9° | 119.4° |
| C19 | C18 | C17 | 119.5° | 119.5° |
| C18 | C19 | H19 | 119.9° | 119.5° |
| C19 | C18 | H18 | 120.3° | 120.2° |
| C18 | C17 | C16 | 118.9° | 118.4° |
| C17 | C18 | H18 | 120.2° | 120.3° |
| C18 | C17 | H17 | 120.5° | 120.8° |
| C16 | C17 | H17 | 120.5° | 120.8° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.4° |
| H8A | C8 | H8B | 109.5° | 109.4° |
| H41 | C41 | H41A | 108.0° | 109.5° |
| H42 | C42 | H42A | 107.4° | 109.5° |
| H46 | C46 | H46A | 109.5° | 109.4° |
| H46 | C46 | H46B | 109.4° | 109.5° |
| H46A | C46 | H46B | 109.5° | 109.5° |
| H44 | C44 | H44A | 109.1° | 109.5° |
| H45 | C45 | H45A | 110.1° | 109.6° |
| H39 | C39 | H39A | 112.2° | 109.5° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | O7 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.1° |
| C2 | C1 | C6 | N9 | 179.6° | 180.0° |
| C6 | C1 | C2 | C3 | 1.0° | 0.1° |
| C1 | C6 | C5 | C4 | 0.6° | 0.1° |
| C1 | C6 | C5 | N9 | 178.4° | 179.9° |
| C1 | C6 | N9 | C10 | 166.9° | 144.6° |
| C6 | C1 | C2 | H2 | 179.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| C1 | C6 | N9 | HN9 | 13.1° | 35.4° |
| C2 | C3 | C4 | O7 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C2 | C3 | O7 | C8 | 10.8° | 180.0° |
| C3 | C2 | C1 | H1 | 179.0° | 179.7° |
| C2 | C3 | C4 | H4 | 179.7° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C4 | C3 | O7 | C8 | 169.1° | 0.0° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| O7 | C3 | C4 | C5 | 179.7° | 180.0° |
| O7 | C3 | C2 | H2 | 0.3° | 0.0° |
| O7 | C3 | C4 | H4 | 0.3° | 0.1° |
| C3 | O7 | C8 | H8 | 121.0° | 60.0° |
| C3 | O7 | C8 | H8A | 119.0° | 180.0° |
| C3 | O7 | C8 | H8B | 1.0° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N9 | 179.0° | 180.0° |
| C5 | C6 | N9 | C10 | 14.6° | 35.3° |
| C5 | C6 | C1 | H1 | 178.8° | 179.8° |
| C6 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C6 | N9 | HN9 | 165.4° | 144.7° |
| C6 | N9 | C10 | N11 | 8.4° | 177.5° |
| C6 | N9 | C10 | N15 | 173.0° | 2.3° |
| C6 | N9 | C10 | HN9 | 180.0° | 180.0° |
| N9 | C6 | C1 | H1 | 0.3° | 0.3° |
| N9 | C6 | C5 | H5 | 1.0° | 0.0° |
| O7 | C8 | H8 | H8A | 120.0° | 120.0° |
| O7 | C8 | H8 | H8B | 120.0° | 120.0° |
| O7 | C8 | H8A | H8B | 120.0° | 120.0° |
| N11 | C10 | N15 | N9 | 178.7° | 179.8° |
| C10 | N11 | C12 | C16 | 179.6° | 180.0° |
| C10 | N11 | C12 | N13 | 1.2° | 0.0° |
| N11 | C10 | N15 | C14 | 0.9° | 0.0° |
| N11 | C10 | N9 | HN9 | 171.6° | 2.5° |
| N15 | C10 | N11 | C12 | 1.4° | 0.0° |
| C10 | N15 | C14 | N13 | 0.1° | 0.0° |
| C10 | N15 | C14 | H14 | 179.9° | 180.0° |
| N15 | C10 | N9 | HN9 | 7.0° | 177.7° |
| N9 | C10 | N11 | C12 | 179.9° | 179.8° |
| N9 | C10 | N15 | C14 | 179.5° | 179.7° |
| C16 | C12 | N11 | N13 | 179.3° | 180.0° |
| C16 | C12 | N13 | C14 | 179.6° | 180.0° |
| C12 | C16 | C21 | N22 | 1.3° | 0.0° |
| C12 | C16 | C21 | N20 | 179.3° | 179.7° |
| C12 | C16 | C21 | C17 | 179.0° | 179.8° |
| C12 | C16 | C17 | C18 | 179.2° | 179.7° |
| C12 | C16 | C17 | H17 | 0.9° | 0.1° |
| N11 | C12 | N13 | C14 | 0.4° | 0.0° |
| N11 | C12 | C16 | C21 | 178.6° | 173.8° |
| N11 | C12 | C16 | C17 | 2.4° | 6.4° |
| C12 | N13 | C14 | N15 | 0.2° | 0.0° |
| N13 | C12 | C16 | C21 | 0.6° | 6.3° |
| N13 | C12 | C16 | C17 | 178.4° | 173.6° |
| C12 | N13 | C14 | H14 | 179.9° | 180.0° |
| N13 | C14 | N15 | H14 | 180.0° | 180.0° |
| C42 | C41 | N40 | H41 | 120.0° | 120.0° |
| C42 | C41 | N40 | H41A | 120.7° | 120.0° |
| C41 | C42 | N43 | H42 | 120.0° | 119.9° |
| C41 | C42 | N43 | H42A | 121.1° | 120.0° |
| C41 | C42 | N43 | C46 | 168.8° | 176.8° |
| C41 | C42 | N43 | C44 | 62.7° | 59.3° |
| C42 | C41 | N40 | C45 | 61.2° | 59.3° |
| C42 | C41 | N40 | C39 | 169.1° | 176.8° |
| C42 | C41 | H41 | H41A | 120.7° | 120.1° |
| C41 | C42 | H42 | H42A | 121.1° | 120.1° |
| N40 | C41 | C42 | N43 | 61.8° | 58.4° |
| C41 | N40 | C45 | C44 | 56.1° | 59.3° |
| C41 | N40 | C45 | C39 | 131.6° | 123.9° |
| C41 | N40 | C39 | C36 | 61.3° | 170.0° |
| N40 | C41 | H41 | H41A | 120.8° | 120.0° |
| N40 | C41 | C42 | H42 | 58.2° | 61.5° |
| N40 | C41 | C42 | H42A | 177.1° | 178.4° |
| C41 | N40 | C45 | H45 | 176.1° | 179.2° |
| C41 | N40 | C45 | H45A | 63.6° | 60.6° |
| C41 | N40 | C39 | H39 | 178.7° | 70.0° |
| C41 | N40 | C39 | H39A | 57.2° | 50.0° |
| C42 | N43 | C46 | C44 | 129.2° | 123.8° |
| C42 | N43 | C44 | C45 | 57.3° | 59.4° |
| N43 | C42 | C41 | H41 | 58.2° | 61.6° |
| N43 | C42 | C41 | H41A | 177.4° | 178.4° |
| N43 | C42 | H42 | H42A | 121.1° | 120.0° |
| C42 | N43 | C46 | H46 | 88.7° | 60.0° |
| C42 | N43 | C46 | H46A | 31.4° | 179.9° |
| C42 | N43 | C46 | H46B | 151.4° | 60.0° |
| C42 | N43 | C44 | H44 | 62.7° | 60.7° |
| C42 | N43 | C44 | H44A | 177.5° | 179.3° |
| C46 | N43 | C44 | C45 | 174.9° | 176.8° |
| C46 | N43 | C42 | H42 | 71.1° | 63.2° |
| C46 | N43 | C42 | H42A | 47.8° | 56.9° |
| N43 | C46 | H46 | H46A | 120.0° | 120.0° |
| N43 | C46 | H46 | H46B | 120.0° | 120.0° |
| N43 | C46 | H46A | H46B | 120.0° | 120.1° |
| C46 | N43 | C44 | H44 | 65.1° | 63.2° |
| C46 | N43 | C44 | H44A | 54.7° | 56.9° |
| N43 | C44 | C45 | H44 | 120.0° | 120.0° |
| N43 | C44 | C45 | H44A | 120.2° | 119.9° |
| N43 | C44 | C45 | N40 | 50.9° | 58.4° |
| C44 | N43 | C42 | H42 | 57.3° | 60.6° |
| C44 | N43 | C42 | H42A | 176.2° | 179.3° |
| C44 | N43 | C46 | H46 | 40.5° | 176.2° |
| C44 | N43 | C46 | H46A | 160.6° | 56.3° |
| C44 | N43 | C46 | H46B | 79.4° | 63.8° |
| N43 | C44 | H44 | H44A | 120.1° | 120.0° |
| N43 | C44 | C45 | H45 | 170.9° | 178.3° |
| N43 | C44 | C45 | H45A | 68.7° | 61.5° |
| C44 | C45 | N40 | H45 | 120.0° | 119.9° |
| C44 | C45 | N40 | H45A | 119.7° | 120.0° |
| C44 | C45 | N40 | C39 | 172.3° | 176.8° |
| C45 | C44 | H44 | H44A | 120.2° | 120.0° |
| C44 | C45 | H45 | H45A | 119.7° | 120.1° |
| C45 | N40 | C39 | C36 | 168.5° | 66.2° |
| C45 | N40 | C41 | H41 | 58.8° | 60.7° |
| C45 | N40 | C41 | H41A | 178.1° | 179.3° |
| N40 | C45 | C44 | H44 | 69.1° | 61.6° |
| N40 | C45 | C44 | H44A | 171.1° | 178.4° |
| N40 | C45 | H45 | H45A | 119.6° | 120.1° |
| C45 | N40 | C39 | H39 | 48.5° | 53.8° |
| C45 | N40 | C39 | H39A | 73.0° | 173.8° |
| N40 | C39 | C36 | H39 | 120.0° | 120.0° |
| N40 | C39 | C36 | H39A | 118.5° | 120.0° |
| N40 | C39 | C36 | C37 | 128.8° | 90.0° |
| N40 | C39 | C36 | C35 | 50.7° | 90.3° |
| C39 | N40 | C41 | H41 | 70.9° | 63.2° |
| C39 | N40 | C41 | H41A | 48.3° | 56.8° |
| C39 | N40 | C45 | H45 | 52.3° | 56.9° |
| C39 | N40 | C45 | H45A | 68.0° | 63.2° |
| N40 | C39 | H39 | H39A | 118.6° | 120.0° |
| C39 | C36 | C37 | C35 | 179.5° | 179.7° |
| C39 | C36 | C37 | C38 | 179.3° | 180.0° |
| C39 | C36 | C35 | C34 | 179.6° | 180.0° |
| C36 | C39 | H39 | H39A | 118.6° | 120.0° |
| C39 | C36 | C37 | H37 | 0.7° | 0.1° |
| C39 | C36 | C35 | H35 | 0.4° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.9° |
| C36 | C37 | C38 | C32 | 0.5° | 0.0° |
| C37 | C36 | C35 | C34 | 0.1° | 0.3° |
| C37 | C36 | C39 | H39 | 111.3° | 30.0° |
| C37 | C36 | C39 | H39A | 10.2° | 149.9° |
| C36 | C37 | C38 | H38 | 179.5° | 180.0° |
| C37 | C36 | C35 | H35 | 179.9° | 179.7° |
| C35 | C36 | C37 | C38 | 0.2° | 0.3° |
| C36 | C35 | C34 | H35 | 180.0° | 179.9° |
| C36 | C35 | C34 | C32 | 0.1° | 0.0° |
| C35 | C36 | C39 | H39 | 69.3° | 149.7° |
| C35 | C36 | C39 | H39A | 169.2° | 29.8° |
| C35 | C36 | C37 | H37 | 179.8° | 179.8° |
| C36 | C35 | C34 | H34 | 179.9° | 180.0° |
| C37 | C38 | C32 | H38 | 180.0° | 180.0° |
| C37 | C38 | C32 | C34 | 0.5° | 0.3° |
| C37 | C38 | C32 | C31 | 179.6° | 180.0° |
| C38 | C32 | C34 | C35 | 0.2° | 0.3° |
| C38 | C32 | C34 | C31 | 179.9° | 179.7° |
| C38 | C32 | C31 | O33 | 10.9° | 0.1° |
| C38 | C32 | C31 | N30 | 167.5° | 180.0° |
| C32 | C38 | C37 | H37 | 179.5° | 179.9° |
| C38 | C32 | C34 | H34 | 179.8° | 179.8° |
| C35 | C34 | C32 | H34 | 180.0° | 179.9° |
| C35 | C34 | C32 | C31 | 179.9° | 180.0° |
| C34 | C32 | C31 | O33 | 169.0° | 179.8° |
| C34 | C32 | C31 | N30 | 12.6° | 0.3° |
| C34 | C32 | C38 | H38 | 179.5° | 179.8° |
| C32 | C34 | C35 | H35 | 179.9° | 180.0° |
| C32 | C31 | O33 | N30 | 178.3° | 179.9° |
| C32 | C31 | N30 | C25 | 176.0° | 174.8° |
| C31 | C32 | C38 | H38 | 0.4° | 0.1° |
| C31 | C32 | C34 | H34 | 0.1° | 0.1° |
| C32 | C31 | N30 | HN30 | 3.9° | 5.2° |
| O33 | C31 | N30 | C25 | 2.3° | 5.2° |
| O33 | C31 | N30 | HN30 | 177.8° | 174.8° |
| C31 | N30 | C25 | HN30 | 180.0° | 180.0° |
| C31 | N30 | C25 | C24 | 8.7° | 149.8° |
| C31 | N30 | C25 | C26 | 169.6° | 30.5° |
| N30 | C25 | C24 | C26 | 178.3° | 179.7° |
| N30 | C25 | C24 | C23 | 179.7° | 180.0° |
| N30 | C25 | C26 | C27 | 179.2° | 180.0° |
| N30 | C25 | C24 | H24 | 0.3° | 0.1° |
| N30 | C25 | C26 | H26 | 0.8° | 0.0° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.8° | 0.3° |
| C25 | C24 | C23 | C28 | 2.2° | 0.0° |
| C25 | C24 | C23 | N22 | 179.5° | 179.9° |
| C24 | C25 | N30 | HN30 | 171.3° | 30.2° |
| C24 | C25 | C26 | H26 | 179.3° | 179.7° |
| C26 | C25 | C24 | C23 | 2.0° | 0.3° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.2° | 0.0° |
| C26 | C25 | N30 | HN30 | 10.4° | 149.5° |
| C26 | C25 | C24 | H24 | 178.0° | 179.8° |
| C25 | C26 | C27 | H27 | 179.8° | 180.0° |
| C24 | C23 | C28 | C27 | 1.2° | 0.3° |
| C24 | C23 | C28 | C29 | 178.6° | 180.0° |
| C24 | C23 | C28 | N22 | 178.3° | 179.9° |
| C24 | C23 | N22 | C21 | 103.9° | 19.8° |
| C24 | C23 | N22 | HN22 | 76.2° | 160.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 179.7° | 180.0° |
| C26 | C27 | C28 | C23 | 0.0° | 0.3° |
| C27 | C28 | C29 | C23 | 179.7° | 179.7° |
| C27 | C28 | C23 | N22 | 179.5° | 179.8° |
| C28 | C27 | C26 | H26 | 179.8° | 180.0° |
| C27 | C28 | C29 | H29 | 43.3° | 90.0° |
| C27 | C28 | C29 | H29A | 163.3° | 150.0° |
| C27 | C28 | C29 | H29B | 76.6° | 30.0° |
| C29 | C28 | C23 | N22 | 0.2° | 0.1° |
| C29 | C28 | C27 | H27 | 0.3° | 0.0° |
| C28 | C29 | H29 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29B | 120.0° | 120.0° |
| C28 | C29 | H29A | H29B | 120.0° | 120.0° |
| C28 | C23 | N22 | C21 | 77.8° | 160.2° |
| C28 | C23 | C24 | H24 | 177.8° | 179.9° |
| C23 | C28 | C27 | H27 | 180.0° | 179.7° |
| C23 | C28 | C29 | H29 | 136.4° | 90.3° |
| C23 | C28 | C29 | H29A | 16.4° | 29.7° |
| C23 | C28 | C29 | H29B | 103.6° | 149.7° |
| C28 | C23 | N22 | HN22 | 102.1° | 19.8° |
| C23 | N22 | C21 | HN22 | 180.0° | 179.9° |
| C23 | N22 | C21 | N20 | 4.9° | 5.6° |
| C23 | N22 | C21 | C16 | 177.0° | 174.8° |
| N22 | C23 | C24 | H24 | 0.5° | 0.0° |
| N22 | C21 | N20 | C16 | 178.1° | 179.6° |
| N22 | C21 | N20 | C19 | 179.2° | 179.9° |
| N22 | C21 | C16 | C17 | 177.7° | 179.8° |
| C21 | N20 | C19 | C18 | 1.0° | 0.0° |
| N20 | C21 | C16 | C17 | 0.3° | 0.5° |
| N20 | C21 | N22 | HN22 | 175.1° | 174.5° |
| C21 | N20 | C19 | H19 | 179.0° | 179.9° |
| C16 | C21 | N20 | C19 | 1.2° | 0.3° |
| C21 | C16 | C17 | C18 | 1.8° | 0.4° |
| C16 | C21 | N22 | HN22 | 2.9° | 5.2° |
| C21 | C16 | C17 | H17 | 178.2° | 179.7° |
| N20 | C19 | C18 | H19 | 180.0° | 179.9° |
| N20 | C19 | C18 | C17 | 0.6° | 0.1° |
| N20 | C19 | C18 | H18 | 179.4° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 1.9° | 0.1° |
| C19 | C18 | C17 | H17 | 178.0° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C18 | C19 | H19 | 179.4° | 180.0° |
| C16 | C17 | C18 | H18 | 178.0° | 179.8° |
| H1 | C1 | C2 | H2 | 1.0° | 0.3° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H8 | C8 | H8A | H8B | 120.0° | 119.9° |
| H41 | C41 | C42 | H42 | 178.2° | 178.5° |
| H41 | C41 | C42 | H42A | 62.9° | 58.4° |
| H41A | C41 | C42 | H42 | 62.5° | 58.4° |
| H41A | C41 | C42 | H42A | 56.4° | 61.7° |
| H46 | C46 | H46A | H46B | 120.0° | 120.0° |
| H44 | C44 | C45 | H45 | 50.9° | 58.3° |
| H44 | C44 | C45 | H45A | 171.3° | 178.5° |
| H44A | C44 | C45 | H45 | 68.9° | 61.7° |
| H44A | C44 | C45 | H45A | 51.5° | 58.4° |
| H37 | C37 | C38 | H38 | 0.5° | 0.0° |
| H35 | C35 | C34 | H34 | 0.1° | 0.1° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
| H19 | C19 | C18 | H18 | 0.6° | 0.1° |
| H18 | C18 | C17 | H17 | 2.0° | 0.1° |
