CX1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | C42 | sing | 1.39Å | 1.41Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| C42 | O47 | sing | 1.36Å | 1.38Å | |
| C42 | C43 | doub | 1.39Å | 1.40Å | Aromatic |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| C44 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C39 | C44 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | H44 | sing | 1.08Å | 1.08Å | |
| C24 | C39 | sing | 1.51Å | 1.55Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N22 | C23 | sing | 1.46Å | 1.49Å | |
| C25 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O27 | C25 | doub | 1.21Å | 1.25Å | |
| C25 | O26 | sing | 1.34Å | 1.26Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| C20 | N22 | sing | 1.35Å | 1.34Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C18 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | O21 | doub | 1.21Å | 1.22Å | |
| C19 | C18 | sing | 1.53Å | 1.57Å | |
| C18 | N16 | sing | 1.47Å | 1.49Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C33 | C19 | sing | 1.51Å | 1.57Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.38Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| N16 | C17 | sing | 1.47Å | 1.48Å | |
| N16 | C14 | sing | 1.35Å | 1.34Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| O15 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C12 | sing | 1.51Å | 1.54Å | |
| N10 | C12 | sing | 1.47Å | 1.48Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C28 | sing | 1.51Å | 1.55Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N32 | C28 | sing | 1.34Å | 1.33Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.34Å | Aromatic |
| C29 | N30 | sing | 1.37Å | 1.34Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | N30 | sing | 1.35Å | 1.32Å | Aromatic |
| N32 | C31 | doub | 1.31Å | 1.33Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C9 | N10 | sing | 1.35Å | 1.34Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| O8 | C9 | sing | 1.35Å | 1.38Å | |
| C9 | O11 | doub | 1.22Å | 1.24Å | |
| C7 | O8 | sing | 1.45Å | 1.43Å | |
| C5 | C7 | sing | 1.51Å | 1.38Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C40 | C39 | 120.1° | 120.0° |
| C41 | C40 | H40 | 119.9° | 120.0° |
| C40 | C41 | C42 | 120.4° | 119.9° |
| C40 | C41 | H41 | 119.8° | 120.0° |
| C39 | C40 | H40 | 120.0° | 120.0° |
| C40 | C39 | C44 | 119.8° | 120.1° |
| C40 | C39 | C24 | 119.8° | 119.9° |
| C42 | C41 | H41 | 119.8° | 120.0° |
| C41 | C42 | O47 | 120.4° | 120.1° |
| C41 | C42 | C43 | 119.0° | 119.9° |
| O47 | C42 | C43 | 120.5° | 120.0° |
| C42 | O47 | HO47 | 109.5° | 113.9° |
| C42 | C43 | C44 | 120.9° | 119.9° |
| C42 | C43 | H43 | 119.6° | 120.1° |
| C44 | C43 | H43 | 119.6° | 120.0° |
| C43 | C44 | C39 | 119.8° | 120.1° |
| C43 | C44 | H44 | 120.1° | 120.0° |
| C39 | C44 | H44 | 120.1° | 119.9° |
| C44 | C39 | C24 | 120.4° | 120.0° |
| C39 | C24 | C23 | 116.3° | 109.5° |
| C39 | C24 | H24 | 107.2° | 109.4° |
| C39 | C24 | H24A | 105.7° | 109.5° |
| C23 | C24 | H24 | 107.2° | 109.5° |
| C23 | C24 | H24A | 105.7° | 109.4° |
| C24 | C23 | N22 | 114.5° | 109.5° |
| C24 | C23 | C25 | 111.4° | 109.4° |
| C24 | C23 | H23 | 104.4° | 109.5° |
| H24 | C24 | H24A | 115.0° | 109.5° |
| N22 | C23 | C25 | 109.1° | 109.5° |
| N22 | C23 | H23 | 106.9° | 109.5° |
| C23 | N22 | C20 | 121.6° | 120.0° |
| C23 | N22 | HN22 | 119.2° | 120.0° |
| C25 | C23 | H23 | 110.3° | 109.4° |
| C23 | C25 | O27 | 118.3° | 120.0° |
| C23 | C25 | O26 | 116.4° | 120.1° |
| O27 | C25 | O26 | 125.3° | 120.0° |
| C25 | O26 | HO26 | 109.5° | 117.1° |
| C20 | N22 | HN22 | 119.2° | 120.0° |
| N22 | C20 | C18 | 115.7° | 120.0° |
| N22 | C20 | O21 | 123.3° | 120.0° |
| C18 | C20 | O21 | 121.0° | 120.0° |
| C20 | C18 | C19 | 111.1° | 109.5° |
| C20 | C18 | N16 | 111.6° | 109.4° |
| C20 | C18 | H18 | 107.5° | 109.5° |
| C19 | C18 | N16 | 111.4° | 109.5° |
| C19 | C18 | H18 | 107.8° | 109.5° |
| C18 | C19 | C33 | 113.9° | 109.5° |
| C18 | C19 | H19 | 108.0° | 109.5° |
| C18 | C19 | H19A | 107.1° | 109.5° |
| N16 | C18 | H18 | 107.2° | 109.5° |
| C18 | N16 | C17 | 123.4° | 120.0° |
| C18 | N16 | C14 | 119.7° | 120.0° |
| C33 | C19 | H19 | 108.0° | 109.5° |
| C33 | C19 | H19A | 107.0° | 109.5° |
| C19 | C33 | C34 | 120.9° | 120.0° |
| C19 | C33 | C38 | 120.9° | 120.0° |
| H19 | C19 | H19A | 113.0° | 109.4° |
| C34 | C33 | C38 | 118.1° | 120.0° |
| C33 | C34 | C35 | 120.8° | 120.0° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| C33 | C38 | C37 | 120.7° | 120.0° |
| C33 | C38 | H38 | 119.7° | 120.0° |
| C35 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | C36 | 120.8° | 120.0° |
| C34 | C35 | H35 | 119.6° | 120.0° |
| C36 | C35 | H35 | 119.6° | 119.9° |
| C35 | C36 | C37 | 119.4° | 120.0° |
| C35 | C36 | H36 | 120.3° | 120.0° |
| C37 | C36 | H36 | 120.3° | 120.0° |
| C36 | C37 | C38 | 120.2° | 120.0° |
| C36 | C37 | H37 | 119.9° | 119.9° |
| C38 | C37 | H37 | 119.9° | 120.1° |
| C37 | C38 | H38 | 119.6° | 120.0° |
| C17 | N16 | C14 | 116.9° | 120.0° |
| N16 | C17 | H17 | 109.5° | 109.4° |
| N16 | C17 | H17A | 109.5° | 109.5° |
| N16 | C17 | H17B | 109.5° | 109.4° |
| N16 | C14 | O15 | 123.5° | 120.0° |
| N16 | C14 | C12 | 116.7° | 120.0° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.4° | 109.5° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| O15 | C14 | C12 | 119.8° | 120.0° |
| C14 | C12 | N10 | 113.3° | 109.5° |
| C14 | C12 | C13 | 111.6° | 109.5° |
| C14 | C12 | H12 | 104.9° | 109.5° |
| N10 | C12 | C13 | 108.2° | 109.5° |
| N10 | C12 | H12 | 108.5° | 109.5° |
| C12 | N10 | C9 | 121.5° | 120.0° |
| C12 | N10 | HN10 | 119.2° | 120.0° |
| C13 | C12 | H12 | 110.3° | 109.5° |
| C12 | C13 | C28 | 112.8° | 109.5° |
| C12 | C13 | H13 | 108.4° | 109.5° |
| C12 | C13 | H13A | 107.6° | 109.5° |
| C28 | C13 | H13 | 108.4° | 109.4° |
| C28 | C13 | H13A | 107.6° | 109.5° |
| C13 | C28 | N32 | 127.2° | 125.9° |
| C13 | C28 | C29 | 126.1° | 126.0° |
| H13 | C13 | H13A | 112.1° | 109.5° |
| N32 | C28 | C29 | 106.7° | 108.0° |
| C28 | N32 | C31 | 108.2° | 109.2° |
| C28 | C29 | N30 | 109.4° | 106.8° |
| C28 | C29 | H29 | 125.3° | 126.6° |
| N30 | C29 | H29 | 125.3° | 126.6° |
| C29 | N30 | C31 | 106.3° | 107.2° |
| C29 | N30 | HN30 | 126.8° | 126.4° |
| N30 | C31 | N32 | 109.4° | 108.7° |
| N30 | C31 | H31 | 125.3° | 125.6° |
| C31 | N30 | HN30 | 126.9° | 126.4° |
| N32 | C31 | H31 | 125.3° | 125.6° |
| C9 | N10 | HN10 | 119.3° | 120.0° |
| N10 | C9 | O8 | 119.1° | 119.9° |
| N10 | C9 | O11 | 122.4° | 120.0° |
| O8 | C9 | O11 | 118.4° | 120.0° |
| C9 | O8 | C7 | 125.6° | 117.0° |
| O8 | C7 | C5 | 113.7° | 109.5° |
| O8 | C7 | H7 | 108.1° | 109.5° |
| O8 | C7 | H7A | 107.1° | 109.5° |
| C5 | C7 | H7 | 108.1° | 109.5° |
| C5 | C7 | H7A | 107.1° | 109.5° |
| C7 | C5 | C4 | 120.3° | 120.0° |
| C7 | C5 | C6 | 118.7° | 120.0° |
| H7 | C7 | H7A | 112.8° | 109.5° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C5 | C4 | C3 | 118.5° | 120.0° |
| C5 | C4 | H4 | 120.7° | 119.9° |
| C5 | C6 | C1 | 120.3° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C1 | C6 | H6 | 119.9° | 120.1° |
| C6 | C1 | C2 | 119.3° | 120.0° |
| C6 | C1 | H1 | 120.3° | 120.0° |
| C2 | C1 | H1 | 120.4° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C2 | C3 | H3 | 119.5° | 120.0° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C3 | C4 | H4 | 120.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C40 | C39 | H40 | 180.0° | 179.7° |
| C40 | C41 | C42 | H41 | 180.0° | 180.0° |
| C40 | C41 | C42 | O47 | 179.7° | 180.0° |
| C40 | C41 | C42 | C43 | 0.0° | 0.0° |
| C41 | C40 | C39 | C44 | 0.9° | 0.1° |
| C41 | C40 | C39 | C24 | 179.7° | 180.0° |
| C39 | C40 | C41 | C42 | 0.6° | 0.0° |
| C39 | C40 | C41 | H41 | 179.4° | 180.0° |
| C40 | C39 | C44 | C43 | 0.5° | 0.1° |
| C40 | C39 | C44 | C24 | 178.8° | 179.9° |
| C40 | C39 | C44 | H44 | 179.5° | 180.0° |
| C40 | C39 | C24 | C23 | 99.4° | 89.9° |
| C40 | C39 | C24 | H24 | 140.6° | 150.0° |
| C40 | C39 | C24 | H24A | 17.5° | 30.0° |
| H40 | C40 | C41 | C42 | 179.4° | 179.7° |
| H40 | C40 | C41 | H41 | 0.6° | 0.3° |
| H40 | C40 | C39 | C44 | 179.1° | 179.8° |
| H40 | C40 | C39 | C24 | 0.3° | 0.3° |
| C41 | C42 | O47 | C43 | 179.8° | 180.0° |
| C41 | C42 | O47 | HO47 | 106.2° | 90.0° |
| C41 | C42 | C43 | C44 | 0.5° | 0.0° |
| C41 | C42 | C43 | H43 | 179.6° | 180.0° |
| H41 | C41 | C42 | O47 | 0.3° | 0.0° |
| H41 | C41 | C42 | C43 | 179.9° | 180.0° |
| O47 | C42 | C43 | C44 | 179.3° | 180.0° |
| O47 | C42 | C43 | H43 | 0.7° | 0.0° |
| C43 | C42 | O47 | HO47 | 74.0° | 90.0° |
| C42 | C43 | C44 | H43 | 180.0° | 180.0° |
| C42 | C43 | C44 | C39 | 0.2° | 0.0° |
| C42 | C43 | C44 | H44 | 179.8° | 180.0° |
| C43 | C44 | C39 | H44 | 180.0° | 179.9° |
| C43 | C44 | C39 | C24 | 179.3° | 180.0° |
| H43 | C43 | C44 | C39 | 179.8° | 179.9° |
| H43 | C43 | C44 | H44 | 0.2° | 0.0° |
| C44 | C39 | C24 | C23 | 81.8° | 90.0° |
| C44 | C39 | C24 | H24 | 38.2° | 30.0° |
| C44 | C39 | C24 | H24A | 161.3° | 150.0° |
| H44 | C44 | C39 | C24 | 0.7° | 0.1° |
| C39 | C24 | C23 | H24 | 120.0° | 120.0° |
| C39 | C24 | C23 | H24A | 116.9° | 120.0° |
| C39 | C24 | H24 | H24A | 117.2° | 120.0° |
| C39 | C24 | C23 | N22 | 8.5° | 65.0° |
| C39 | C24 | C23 | C25 | 132.9° | 175.0° |
| C39 | C24 | C23 | H23 | 108.1° | 55.0° |
| C23 | C24 | H24 | H24A | 117.2° | 120.0° |
| C24 | C23 | N22 | C25 | 125.6° | 120.0° |
| C24 | C23 | N22 | H23 | 115.1° | 120.0° |
| C24 | C23 | C25 | H23 | 115.5° | 119.9° |
| C24 | C23 | C25 | O27 | 89.5° | 120.0° |
| C24 | C23 | C25 | O26 | 91.9° | 60.0° |
| C24 | C23 | N22 | C20 | 123.6° | 155.0° |
| C24 | C23 | N22 | HN22 | 56.4° | 25.0° |
| H24 | C24 | C23 | N22 | 128.5° | 175.0° |
| H24 | C24 | C23 | C25 | 107.1° | 55.0° |
| H24 | C24 | C23 | H23 | 11.9° | 64.9° |
| H24A | C24 | C23 | N22 | 108.4° | 55.0° |
| H24A | C24 | C23 | C25 | 16.0° | 65.0° |
| H24A | C24 | C23 | H23 | 135.0° | 175.0° |
| N22 | C23 | C25 | H23 | 117.2° | 120.0° |
| N22 | C23 | C25 | O27 | 37.9° | 0.0° |
| N22 | C23 | C25 | O26 | 140.7° | 180.0° |
| C23 | N22 | C20 | HN22 | 180.0° | 180.0° |
| C23 | N22 | C20 | C18 | 178.8° | 180.0° |
| C23 | N22 | C20 | O21 | 0.6° | 0.0° |
| C23 | C25 | O27 | O26 | 178.5° | 180.0° |
| C23 | C25 | O26 | HO26 | 178.5° | 180.0° |
| C25 | C23 | N22 | C20 | 110.8° | 85.0° |
| C25 | C23 | N22 | HN22 | 69.2° | 95.0° |
| H23 | C23 | C25 | O27 | 155.0° | 120.0° |
| H23 | C23 | C25 | O26 | 23.6° | 59.9° |
| H23 | C23 | N22 | C20 | 8.5° | 35.0° |
| H23 | C23 | N22 | HN22 | 171.5° | 145.0° |
| O27 | C25 | O26 | HO26 | 0.0° | 0.0° |
| N22 | C20 | C18 | O21 | 179.4° | 180.0° |
| N22 | C20 | C18 | C19 | 128.6° | 60.0° |
| N22 | C20 | C18 | N16 | 106.3° | 180.0° |
| N22 | C20 | C18 | H18 | 10.9° | 60.0° |
| HN22 | N22 | C20 | C18 | 1.2° | 0.0° |
| HN22 | N22 | C20 | O21 | 179.4° | 180.0° |
| C20 | C18 | C19 | N16 | 125.2° | 120.0° |
| C20 | C18 | C19 | H18 | 117.5° | 120.0° |
| C20 | C18 | N16 | H18 | 117.5° | 120.0° |
| C20 | C18 | C19 | C33 | 169.9° | 172.7° |
| C20 | C18 | C19 | H19 | 49.9° | 67.2° |
| C20 | C18 | C19 | H19A | 72.1° | 52.7° |
| C20 | C18 | N16 | C17 | 80.0° | 67.3° |
| C20 | C18 | N16 | C14 | 102.5° | 112.7° |
| O21 | C20 | C18 | C19 | 50.8° | 120.0° |
| O21 | C20 | C18 | N16 | 74.2° | 0.0° |
| O21 | C20 | C18 | H18 | 168.5° | 120.0° |
| C19 | C18 | N16 | H18 | 117.7° | 120.0° |
| C18 | C19 | C33 | H19 | 120.0° | 120.0° |
| C18 | C19 | C33 | H19A | 118.1° | 120.0° |
| C18 | C19 | H19 | H19A | 118.2° | 120.0° |
| C18 | C19 | C33 | C34 | 149.8° | 89.9° |
| C18 | C19 | C33 | C38 | 30.0° | 90.4° |
| C19 | C18 | N16 | C17 | 44.8° | 52.7° |
| C19 | C18 | N16 | C14 | 132.7° | 127.3° |
| N16 | C18 | C19 | C33 | 44.7° | 67.3° |
| N16 | C18 | C19 | H19 | 75.3° | 52.7° |
| N16 | C18 | C19 | H19A | 162.8° | 172.7° |
| C18 | N16 | C17 | C14 | 177.5° | 180.0° |
| C18 | N16 | C17 | H17 | 70.8° | 85.9° |
| C18 | N16 | C17 | H17A | 169.2° | 154.1° |
| C18 | N16 | C17 | H17B | 49.1° | 34.1° |
| C18 | N16 | C14 | O15 | 3.1° | 173.7° |
| C18 | N16 | C14 | C12 | 178.8° | 6.4° |
| H18 | C18 | C19 | C33 | 72.6° | 52.7° |
| H18 | C18 | C19 | H19 | 167.4° | 172.7° |
| H18 | C18 | C19 | H19A | 45.5° | 67.3° |
| H18 | C18 | N16 | C17 | 162.5° | 172.7° |
| H18 | C18 | N16 | C14 | 15.0° | 7.3° |
| C33 | C19 | H19 | H19A | 118.2° | 120.0° |
| C19 | C33 | C34 | C38 | 179.8° | 179.7° |
| C19 | C33 | C34 | C35 | 178.5° | 180.0° |
| C19 | C33 | C34 | H34 | 1.5° | 0.0° |
| C19 | C33 | C38 | C37 | 179.9° | 179.7° |
| C19 | C33 | C38 | H38 | 0.0° | 0.3° |
| H19 | C19 | C33 | C34 | 29.8° | 30.2° |
| H19 | C19 | C33 | C38 | 150.0° | 149.5° |
| H19A | C19 | C33 | C34 | 92.1° | 150.1° |
| H19A | C19 | C33 | C38 | 88.1° | 29.5° |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 1.9° | 0.0° |
| C33 | C34 | C35 | H35 | 178.1° | 179.9° |
| C34 | C33 | C38 | C37 | 0.1° | 0.6° |
| C34 | C33 | C38 | H38 | 179.9° | 180.0° |
| C38 | C33 | C34 | C35 | 1.4° | 0.3° |
| C38 | C33 | C34 | H34 | 178.7° | 179.7° |
| C33 | C38 | C37 | C36 | 1.0° | 0.6° |
| C33 | C38 | C37 | H38 | 180.0° | 179.4° |
| C33 | C38 | C37 | H37 | 179.0° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.9° | 0.0° |
| C34 | C35 | C36 | H36 | 179.1° | 179.9° |
| H34 | C34 | C35 | C36 | 178.1° | 179.9° |
| H34 | C34 | C35 | H35 | 1.9° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.5° | 0.3° |
| C35 | C36 | C37 | H37 | 179.5° | 180.0° |
| H35 | C35 | C36 | C37 | 179.1° | 180.0° |
| H35 | C35 | C36 | H36 | 0.9° | 0.0° |
| C36 | C37 | C38 | H37 | 180.0° | 179.7° |
| C36 | C37 | C38 | H38 | 178.9° | 180.0° |
| H36 | C36 | C37 | C38 | 179.5° | 179.8° |
| H36 | C36 | C37 | H37 | 0.5° | 0.1° |
| H37 | C37 | C38 | H38 | 1.1° | 0.3° |
| N16 | C17 | H17 | H17A | 120.0° | 120.0° |
| N16 | C17 | H17 | H17B | 120.0° | 119.9° |
| N16 | C17 | H17A | H17B | 120.0° | 120.0° |
| C17 | N16 | C14 | O15 | 179.2° | 6.3° |
| C17 | N16 | C14 | C12 | 1.2° | 173.6° |
| C14 | N16 | C17 | H17 | 106.7° | 94.1° |
| C14 | N16 | C17 | H17A | 13.3° | 25.9° |
| C14 | N16 | C17 | H17B | 133.3° | 145.9° |
| N16 | C14 | O15 | C12 | 178.0° | 180.0° |
| N16 | C14 | C12 | N10 | 98.5° | 170.8° |
| N16 | C14 | C12 | C13 | 139.0° | 69.2° |
| N16 | C14 | C12 | H12 | 19.6° | 50.8° |
| H17 | C17 | H17A | H17B | 119.9° | 120.0° |
| O15 | C14 | C12 | N10 | 83.4° | 9.1° |
| O15 | C14 | C12 | C13 | 39.1° | 110.8° |
| O15 | C14 | C12 | H12 | 158.5° | 129.1° |
| C14 | C12 | N10 | C13 | 124.3° | 120.0° |
| C14 | C12 | N10 | H12 | 116.0° | 120.0° |
| C14 | C12 | C13 | H12 | 116.1° | 120.0° |
| C14 | C12 | C13 | C28 | 175.9° | 173.3° |
| C14 | C12 | C13 | H13 | 64.1° | 66.8° |
| C14 | C12 | C13 | H13A | 57.3° | 53.3° |
| C14 | C12 | N10 | C9 | 116.3° | 155.0° |
| C14 | C12 | N10 | HN10 | 63.7° | 25.0° |
| N10 | C12 | C13 | H12 | 118.5° | 120.0° |
| N10 | C12 | C13 | C28 | 58.7° | 66.7° |
| N10 | C12 | C13 | H13 | 61.3° | 53.2° |
| N10 | C12 | C13 | H13A | 177.3° | 173.3° |
| C12 | N10 | C9 | HN10 | 180.0° | 180.0° |
| C12 | N10 | C9 | O8 | 175.2° | 180.0° |
| C12 | N10 | C9 | O11 | 0.9° | 0.1° |
| C12 | C13 | C28 | H13 | 120.0° | 120.0° |
| C12 | C13 | C28 | H13A | 118.6° | 120.0° |
| C12 | C13 | H13 | H13A | 118.7° | 120.0° |
| C12 | C13 | C28 | N32 | 64.5° | 55.3° |
| C12 | C13 | C28 | C29 | 116.0° | 125.0° |
| C13 | C12 | N10 | C9 | 119.4° | 85.1° |
| C13 | C12 | N10 | HN10 | 60.6° | 95.0° |
| H12 | C12 | C13 | C28 | 59.8° | 53.3° |
| H12 | C12 | C13 | H13 | 179.8° | 173.2° |
| H12 | C12 | C13 | H13A | 58.8° | 66.7° |
| H12 | C12 | N10 | C9 | 0.3° | 35.0° |
| H12 | C12 | N10 | HN10 | 179.7° | 145.0° |
| C28 | C13 | H13 | H13A | 118.6° | 120.0° |
| C13 | C28 | N32 | C29 | 179.6° | 179.8° |
| C13 | C28 | C29 | N30 | 179.6° | 180.0° |
| C13 | C28 | C29 | H29 | 0.4° | 0.1° |
| C13 | C28 | N32 | C31 | 179.8° | 179.9° |
| H13 | C13 | C28 | N32 | 55.5° | 175.3° |
| H13 | C13 | C28 | C29 | 124.0° | 5.0° |
| H13A | C13 | C28 | N32 | 176.9° | 64.7° |
| H13A | C13 | C28 | C29 | 2.6° | 115.0° |
| N32 | C28 | C29 | N30 | 0.8° | 0.2° |
| N32 | C28 | C29 | H29 | 179.3° | 179.9° |
| C28 | N32 | C31 | N30 | 0.5° | 0.4° |
| C28 | N32 | C31 | H31 | 179.5° | 179.9° |
| C28 | C29 | N30 | H29 | 180.0° | 179.9° |
| C28 | C29 | N30 | C31 | 1.1° | 0.0° |
| C29 | C28 | N32 | C31 | 0.2° | 0.4° |
| C28 | C29 | N30 | HN30 | 179.0° | 180.0° |
| C29 | N30 | C31 | HN30 | 180.0° | 179.9° |
| C29 | N30 | C31 | N32 | 1.0° | 0.2° |
| C29 | N30 | C31 | H31 | 179.0° | 180.0° |
| H29 | C29 | N30 | C31 | 179.0° | 179.9° |
| H29 | C29 | N30 | HN30 | 1.0° | 0.2° |
| N30 | C31 | N32 | H31 | 180.0° | 179.8° |
| N32 | C31 | N30 | HN30 | 179.1° | 179.7° |
| H31 | C31 | N30 | HN30 | 1.0° | 0.0° |
| N10 | C9 | O8 | O11 | 176.3° | 179.9° |
| N10 | C9 | O8 | C7 | 85.8° | 180.0° |
| HN10 | N10 | C9 | O8 | 4.8° | 0.0° |
| HN10 | N10 | C9 | O11 | 179.1° | 179.9° |
| C9 | O8 | C7 | C5 | 144.9° | 180.0° |
| C9 | O8 | C7 | H7 | 95.0° | 60.0° |
| C9 | O8 | C7 | H7A | 26.8° | 60.0° |
| O11 | C9 | O8 | C7 | 97.9° | 0.1° |
| O8 | C7 | C5 | H7 | 120.0° | 120.0° |
| O8 | C7 | C5 | H7A | 118.1° | 120.0° |
| O8 | C7 | H7 | H7A | 118.3° | 120.0° |
| O8 | C7 | C5 | C4 | 141.1° | 90.3° |
| O8 | C7 | C5 | C6 | 35.7° | 90.0° |
| C5 | C7 | H7 | H7A | 118.3° | 120.0° |
| C7 | C5 | C4 | C6 | 176.7° | 179.7° |
| C7 | C5 | C6 | C1 | 178.4° | 180.0° |
| C7 | C5 | C6 | H6 | 1.7° | 0.1° |
| C7 | C5 | C4 | C3 | 178.8° | 179.7° |
| C7 | C5 | C4 | H4 | 1.2° | 0.2° |
| H7 | C7 | C5 | C4 | 98.9° | 149.7° |
| H7 | C7 | C5 | C6 | 84.3° | 30.0° |
| H7A | C7 | C5 | C4 | 22.9° | 29.7° |
| H7A | C7 | C5 | C6 | 153.9° | 150.0° |
| C4 | C5 | C6 | C1 | 1.6° | 0.3° |
| C4 | C5 | C6 | H6 | 178.4° | 179.8° |
| C5 | C4 | C3 | C2 | 1.1° | 0.6° |
| C5 | C4 | C3 | H4 | 180.0° | 179.5° |
| C5 | C4 | C3 | H3 | 178.9° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 179.9° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H1 | 179.9° | 180.0° |
| C6 | C5 | C4 | C3 | 2.1° | 0.6° |
| C6 | C5 | C4 | H4 | 177.9° | 179.9° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.9° | NaN° |
| C6 | C1 | C2 | H2 | 179.1° | 180.0° |
| H6 | C6 | C1 | C2 | 179.9° | 179.9° |
| H6 | C6 | C1 | H1 | 0.1° | 0.1° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.3° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| H1 | C1 | C2 | C3 | 179.1° | 180.0° |
| H1 | C1 | C2 | H2 | 0.9° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 178.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.6° | 179.7° |
| H2 | C2 | C3 | H3 | 0.4° | 0.1° |
| H3 | C3 | C4 | H4 | 1.1° | 0.2° |
