662
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| N1 | C9 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.54Å | 1.50Å | |
| C2 | O10 | sing | 1.44Å | 1.45Å | |
| C3 | C8 | sing | 1.55Å | 1.56Å | |
| C3 | O11 | sing | 1.43Å | 1.44Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C4 | N19 | sing | 1.33Å | 1.31Å | Aromatic |
| C5 | N6 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C18 | sing | 1.41Å | 1.41Å | Aromatic |
| N6 | C9 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C17 | sing | 1.48Å | 1.45Å | |
| C8 | C14 | sing | 1.53Å | 1.53Å | |
| C8 | C15 | sing | 1.55Å | 1.55Å | |
| O10 | C15 | sing | 1.44Å | 1.46Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | O20 | sing | 1.36Å | 1.36Å | |
| C12 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | O33 | sing | 1.36Å | 1.37Å | |
| C15 | C26 | sing | 1.51Å | 1.52Å | |
| C16 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | O27 | doub | 1.22Å | 1.23Å | |
| C17 | N28 | sing | 1.35Å | 1.34Å | |
| C18 | N22 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | N32 | sing | 1.38Å | 1.37Å | |
| N19 | C24 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | C23 | sing | 1.40Å | 1.45Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.49Å | Aromatic |
| N22 | C24 | sing | 1.32Å | 1.33Å | Aromatic |
| C25 | C30 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C29 | doub | 1.31Å | 1.32Å | |
| N28 | C38 | sing | 1.46Å | 1.48Å | |
| C29 | C38 | sing | 1.51Å | 1.53Å | |
| C30 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| N32 | C39 | sing | 1.46Å | 1.46Å | |
| C34 | C35 | sing | 1.39Å | 1.36Å | Aromatic |
| C34 | C36 | doub | 1.38Å | 1.37Å | Aromatic |
| C34 | F37 | sing | 1.35Å | 1.38Å | |
| C39 | C40 | sing | 1.53Å | 1.56Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C4 | 124.5° | 126.3° |
| C2 | N1 | C9 | 128.0° | 126.3° |
| N1 | C2 | C3 | 111.5° | 109.9° |
| N1 | C2 | O10 | 106.4° | 109.8° |
| N1 | C2 | H2 | 107.8° | 109.9° |
| C4 | N1 | C9 | 107.1° | 107.4° |
| N1 | C4 | C5 | 106.1° | 106.0° |
| N1 | C4 | N19 | 130.9° | 134.9° |
| N1 | C9 | N6 | 112.2° | 110.0° |
| N1 | C9 | H9 | 124.0° | 125.0° |
| C3 | C2 | O10 | 101.0° | 107.3° |
| C2 | C3 | C8 | 100.5° | 104.2° |
| C2 | C3 | O11 | 108.0° | 110.5° |
| C3 | C2 | H2 | 112.7° | 109.9° |
| C2 | C3 | H3 | 116.2° | 110.5° |
| C2 | O10 | C15 | 110.4° | 107.0° |
| O10 | C2 | H2 | 117.3° | 110.0° |
| C8 | C3 | O11 | 110.1° | 110.5° |
| C3 | C8 | C14 | 113.0° | 111.0° |
| C3 | C8 | C15 | 95.7° | 102.1° |
| C8 | C3 | H3 | 114.3° | 110.4° |
| C3 | C8 | H8 | 116.5° | 110.9° |
| O11 | C3 | H3 | 107.6° | 110.5° |
| C3 | O11 | HO11 | 109.5° | 114.0° |
| C5 | C4 | N19 | 122.9° | 119.1° |
| C4 | C5 | N6 | 107.0° | 107.1° |
| C4 | C5 | C18 | 116.3° | 118.2° |
| C4 | N19 | C24 | 118.9° | 120.6° |
| N6 | C5 | C18 | 136.6° | 134.7° |
| C5 | N6 | C9 | 107.5° | 109.4° |
| C5 | C18 | N22 | 117.0° | 118.5° |
| C5 | C18 | N32 | 123.7° | 120.7° |
| N6 | C9 | H9 | 123.9° | 124.9° |
| C13 | C7 | C16 | 118.6° | 119.8° |
| C13 | C7 | C17 | 123.7° | 120.1° |
| C7 | C13 | C12 | 120.3° | 119.9° |
| C7 | C13 | O33 | 126.3° | 120.1° |
| C16 | C7 | C17 | 117.6° | 120.1° |
| C7 | C16 | C21 | 123.6° | 119.9° |
| C7 | C16 | H16 | 118.2° | 120.0° |
| C7 | C17 | O27 | 121.5° | 119.9° |
| C7 | C17 | N28 | 116.1° | 120.0° |
| C14 | C8 | C15 | 110.7° | 110.9° |
| C14 | C8 | H8 | 102.9° | 110.8° |
| C8 | C14 | H14 | 109.5° | 109.5° |
| C8 | C14 | H14A | 109.5° | 109.5° |
| C8 | C14 | H14B | 109.5° | 109.4° |
| C8 | C15 | O10 | 103.6° | 103.5° |
| C8 | C15 | C26 | 115.8° | 110.6° |
| C15 | C8 | H8 | 118.5° | 110.9° |
| C8 | C15 | H15 | 108.4° | 110.7° |
| O10 | C15 | C26 | 106.5° | 110.6° |
| O10 | C15 | H15 | 117.4° | 110.6° |
| C13 | C12 | O20 | 119.6° | 119.9° |
| C13 | C12 | C23 | 121.0° | 120.2° |
| C12 | C13 | O33 | 113.3° | 120.0° |
| O20 | C12 | C23 | 119.3° | 119.9° |
| C12 | O20 | HO20 | 109.5° | 114.0° |
| C12 | C23 | C21 | 118.7° | 120.2° |
| C12 | C23 | H23 | 120.7° | 119.9° |
| C13 | O33 | HO33 | 109.5° | 114.0° |
| C15 | C26 | C29 | 119.2° | 120.0° |
| C26 | C15 | H15 | 105.6° | 110.7° |
| C15 | C26 | H26 | 120.4° | 120.0° |
| C16 | C21 | C23 | 117.7° | 120.1° |
| C16 | C21 | C25 | 122.9° | 119.9° |
| C21 | C16 | H16 | 118.2° | 120.1° |
| O27 | C17 | N28 | 121.9° | 120.1° |
| C17 | N28 | C38 | 120.1° | 120.0° |
| C17 | N28 | HN28 | 119.9° | 120.0° |
| N22 | C18 | N32 | 119.3° | 120.8° |
| C18 | N22 | C24 | 122.9° | 121.2° |
| C18 | N32 | C39 | 124.0° | 120.0° |
| C18 | N32 | HN32 | 104.9° | 120.0° |
| N19 | C24 | N22 | 121.9° | 122.5° |
| N19 | C24 | H24 | 119.1° | 118.8° |
| C23 | C21 | C25 | 119.4° | 119.9° |
| C21 | C23 | H23 | 120.7° | 119.9° |
| C21 | C25 | C30 | 120.2° | 120.1° |
| C21 | C25 | C31 | 117.1° | 120.1° |
| N22 | C24 | H24 | 119.0° | 118.8° |
| C30 | C25 | C31 | 122.7° | 119.8° |
| C25 | C30 | C36 | 118.9° | 119.9° |
| C25 | C30 | H30 | 120.6° | 120.0° |
| C25 | C31 | C35 | 117.7° | 119.9° |
| C25 | C31 | H31 | 121.2° | 120.1° |
| C26 | C29 | C38 | 119.0° | 120.0° |
| C29 | C26 | H26 | 120.4° | 120.0° |
| C26 | C29 | H29 | 120.5° | 120.0° |
| N28 | C38 | C29 | 106.8° | 109.5° |
| C38 | N28 | HN28 | 119.9° | 120.0° |
| N28 | C38 | H38 | 110.4° | 109.5° |
| N28 | C38 | H38A | 110.4° | 109.4° |
| C38 | C29 | H29 | 120.5° | 120.0° |
| C29 | C38 | H38 | 110.4° | 109.4° |
| C29 | C38 | H38A | 110.3° | 109.5° |
| C30 | C36 | C34 | 115.8° | 120.1° |
| C36 | C30 | H30 | 120.6° | 120.1° |
| C30 | C36 | H36 | 122.1° | 120.0° |
| C31 | C35 | C34 | 117.7° | 120.1° |
| C35 | C31 | H31 | 121.2° | 120.0° |
| C31 | C35 | H35 | 121.2° | 120.0° |
| N32 | C39 | C40 | 109.2° | 109.5° |
| C39 | N32 | HN32 | 104.9° | 120.0° |
| N32 | C39 | H39 | 109.6° | 109.5° |
| N32 | C39 | H39A | 109.6° | 109.5° |
| C35 | C34 | C36 | 127.1° | 120.2° |
| C35 | C34 | F37 | 117.0° | 119.9° |
| C34 | C35 | H35 | 121.2° | 119.9° |
| C36 | C34 | F37 | 115.6° | 120.0° |
| C34 | C36 | H36 | 122.1° | 119.9° |
| C39 | C40 | C41 | 106.4° | 109.5° |
| C40 | C39 | H39 | 109.6° | 109.4° |
| C40 | C39 | H39A | 109.6° | 109.5° |
| C39 | C40 | H40 | 110.5° | 109.4° |
| C39 | C40 | H40A | 110.5° | 109.5° |
| C41 | C40 | H40 | 110.5° | 109.5° |
| C41 | C40 | H40A | 110.5° | 109.5° |
| C40 | C41 | H41 | 109.5° | 109.5° |
| C40 | C41 | H41A | 109.5° | 109.5° |
| C40 | C41 | H41B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.4° | 109.5° |
| H38 | C38 | H38A | 108.5° | 109.4° |
| H39 | C39 | H39A | 109.4° | 109.5° |
| H40 | C40 | H40A | 108.4° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C4 | C9 | 173.7° | 179.8° |
| N1 | C2 | C3 | O10 | 112.6° | 119.4° |
| N1 | C2 | C3 | H2 | 121.4° | 121.1° |
| N1 | C2 | O10 | H2 | 120.7° | 121.1° |
| N1 | C2 | C3 | C8 | 158.5° | 121.4° |
| N1 | C2 | C3 | O11 | 86.2° | 119.9° |
| C2 | N1 | C4 | C5 | 173.5° | 179.9° |
| C2 | N1 | C4 | N19 | 2.4° | 0.0° |
| C2 | N1 | C9 | N6 | 175.0° | 179.8° |
| N1 | C2 | O10 | C15 | 137.4° | 146.0° |
| N1 | C2 | C3 | H3 | 34.7° | 2.7° |
| C2 | N1 | C9 | H9 | 4.9° | 0.1° |
| C4 | N1 | C2 | C3 | 140.2° | 85.0° |
| C4 | N1 | C2 | O10 | 110.6° | 157.2° |
| N1 | C4 | C5 | N19 | 176.3° | 180.0° |
| N1 | C4 | C5 | N6 | 1.9° | 0.0° |
| N1 | C4 | C5 | C18 | 179.9° | 180.0° |
| C4 | N1 | C9 | N6 | 1.6° | 0.4° |
| N1 | C4 | N19 | C24 | 178.7° | 180.0° |
| C4 | N1 | C2 | H2 | 16.0° | 36.1° |
| C4 | N1 | C9 | H9 | 178.4° | 179.7° |
| C9 | N1 | C2 | C3 | 47.4° | 95.2° |
| C9 | N1 | C2 | O10 | 61.8° | 22.6° |
| C9 | N1 | C4 | C5 | 0.3° | 0.3° |
| C9 | N1 | C4 | N19 | 176.1° | 179.8° |
| N1 | C9 | N6 | C5 | 2.8° | 0.4° |
| N1 | C9 | N6 | H9 | 180.0° | 179.9° |
| C9 | N1 | C2 | H2 | 171.6° | 143.7° |
| C3 | C2 | O10 | H2 | 122.9° | 119.5° |
| C2 | C3 | C8 | O11 | 113.7° | 118.7° |
| C2 | C3 | C8 | H3 | 125.2° | 118.7° |
| C2 | C3 | O11 | H3 | 126.1° | 122.6° |
| C2 | C3 | C8 | C14 | 167.4° | 97.3° |
| C2 | C3 | C8 | C15 | 52.1° | 20.9° |
| C3 | C2 | O10 | C15 | 20.9° | 26.6° |
| C2 | C3 | C8 | H8 | 73.8° | 139.1° |
| C2 | C3 | O11 | HO11 | 180.0° | 61.4° |
| O10 | C2 | C3 | C8 | 45.9° | 2.0° |
| O10 | C2 | C3 | O11 | 161.2° | 120.8° |
| C2 | O10 | C15 | C8 | 12.7° | 40.1° |
| C2 | O10 | C15 | C26 | 109.8° | 158.6° |
| O10 | C2 | C3 | H3 | 78.0° | 116.6° |
| C2 | O10 | C15 | H15 | 132.2° | 78.4° |
| C8 | C3 | O11 | H3 | 125.1° | 122.6° |
| C3 | C8 | C14 | C15 | 106.0° | 112.7° |
| C3 | C8 | C14 | H8 | 126.4° | 123.7° |
| C3 | C8 | C15 | H8 | 124.3° | 118.2° |
| C3 | C8 | C15 | O10 | 39.0° | 37.1° |
| C3 | C8 | C15 | C26 | 77.1° | 155.5° |
| C8 | C3 | C2 | H2 | 80.1° | 117.6° |
| C8 | C3 | O11 | HO11 | 71.2° | 176.2° |
| C3 | C8 | C14 | H14 | 180.0° | 59.9° |
| C3 | C8 | C14 | H14A | 60.0° | 180.0° |
| C3 | C8 | C14 | H14B | 60.0° | 60.0° |
| C3 | C8 | C15 | H15 | 164.4° | 81.4° |
| O11 | C3 | C8 | C14 | 78.9° | 144.0° |
| O11 | C3 | C8 | C15 | 165.7° | 97.8° |
| O11 | C3 | C2 | H2 | 35.2° | 1.2° |
| O11 | C3 | C8 | H8 | 39.9° | 20.4° |
| C4 | C5 | N6 | C18 | 177.7° | 179.9° |
| C4 | C5 | N6 | C9 | 2.8° | 0.2° |
| C4 | C5 | C18 | N22 | 2.3° | 0.0° |
| C4 | C5 | C18 | N32 | 176.1° | 179.9° |
| C5 | C4 | N19 | C24 | 3.4° | 0.1° |
| N19 | C4 | C5 | N6 | 178.1° | 180.0° |
| N19 | C4 | C5 | C18 | 3.6° | 0.0° |
| C4 | N19 | C24 | N22 | 2.0° | 0.0° |
| C4 | N19 | C24 | H24 | 178.1° | 180.0° |
| N6 | C5 | C18 | N22 | 179.8° | 179.9° |
| N6 | C5 | C18 | N32 | 1.4° | 0.0° |
| C5 | N6 | C9 | H9 | 177.2° | 179.7° |
| C18 | C5 | N6 | C9 | 179.5° | 179.7° |
| C5 | C18 | N22 | N32 | 178.5° | 179.9° |
| C5 | C18 | N22 | C24 | 1.0° | 0.0° |
| C5 | C18 | N32 | C39 | 5.7° | 180.0° |
| C5 | C18 | N32 | HN32 | 125.7° | 0.0° |
| C13 | C7 | C16 | C17 | 176.4° | 179.7° |
| C7 | C13 | C12 | O33 | 177.3° | 180.0° |
| C7 | C13 | C12 | O20 | 179.0° | 179.9° |
| C7 | C13 | C12 | C23 | 4.8° | 0.0° |
| C13 | C7 | C16 | C21 | 2.9° | 0.0° |
| C13 | C7 | C17 | O27 | 171.7° | 0.0° |
| C13 | C7 | C17 | N28 | 16.6° | 180.0° |
| C13 | C7 | C16 | H16 | 177.0° | 180.0° |
| C7 | C13 | O33 | HO33 | 180.0° | 89.9° |
| C16 | C7 | C13 | C12 | 4.4° | 0.0° |
| C16 | C7 | C13 | O33 | 178.7° | 180.0° |
| C7 | C16 | C21 | H16 | 180.0° | 180.0° |
| C16 | C7 | C17 | O27 | 4.5° | 179.8° |
| C16 | C7 | C17 | N28 | 167.1° | 0.3° |
| C7 | C16 | C21 | C23 | 1.6° | 0.0° |
| C7 | C16 | C21 | C25 | 179.0° | 180.0° |
| C17 | C7 | C13 | C12 | 179.4° | 179.7° |
| C17 | C7 | C13 | O33 | 2.5° | 0.3° |
| C17 | C7 | C16 | C21 | 179.4° | 179.7° |
| C7 | C17 | O27 | N28 | 171.1° | 179.9° |
| C7 | C17 | N28 | C38 | 174.2° | 180.0° |
| C17 | C7 | C16 | H16 | 0.6° | 0.3° |
| C7 | C17 | N28 | HN28 | 5.8° | 0.0° |
| C14 | C8 | C15 | H8 | 118.5° | 123.6° |
| C14 | C8 | C15 | O10 | 156.2° | 81.2° |
| C14 | C8 | C15 | C26 | 40.0° | 37.3° |
| C14 | C8 | C3 | H3 | 42.3° | 21.4° |
| C8 | C14 | H14 | H14A | 120.0° | 120.0° |
| C8 | C14 | H14 | H14B | 120.0° | 119.9° |
| C8 | C14 | H14A | H14B | 120.0° | 120.0° |
| C14 | C8 | C15 | H15 | 78.4° | 160.3° |
| C8 | C15 | O10 | C26 | 122.6° | 118.4° |
| C8 | C15 | O10 | H15 | 119.4° | 118.5° |
| C8 | C15 | C26 | H15 | 120.0° | 123.0° |
| C8 | C15 | C26 | C29 | 140.5° | 125.0° |
| C15 | C8 | C3 | H3 | 73.1° | 139.6° |
| C15 | C8 | C14 | H14 | 74.0° | 52.8° |
| C15 | C8 | C14 | H14A | 166.0° | 67.3° |
| C15 | C8 | C14 | H14B | 46.0° | 172.7° |
| C8 | C15 | C26 | H26 | 39.5° | 55.1° |
| O10 | C15 | C26 | H15 | 125.5° | 123.0° |
| O10 | C15 | C26 | C29 | 105.0° | 11.0° |
| C15 | O10 | C2 | H2 | 102.0° | 92.9° |
| O10 | C15 | C8 | H8 | 85.3° | 155.3° |
| O10 | C15 | C26 | H26 | 75.0° | 169.1° |
| C13 | C12 | O20 | C23 | 176.3° | 179.9° |
| C13 | C12 | C23 | C21 | 3.4° | 0.0° |
| C13 | C12 | O20 | HO20 | 180.0° | 90.0° |
| C13 | C12 | C23 | H23 | 176.6° | 180.0° |
| C12 | C13 | O33 | HO33 | 2.9° | 90.0° |
| O20 | C12 | C13 | O33 | 1.7° | 0.0° |
| O20 | C12 | C23 | C21 | 179.7° | 180.0° |
| O20 | C12 | C23 | H23 | 0.4° | 0.1° |
| C23 | C12 | C13 | O33 | 177.9° | 180.0° |
| C12 | C23 | C21 | C16 | 1.8° | 0.1° |
| C12 | C23 | C21 | H23 | 180.0° | 179.9° |
| C12 | C23 | C21 | C25 | 178.8° | 180.0° |
| C23 | C12 | O20 | HO20 | 3.7° | 90.0° |
| C15 | C26 | C29 | H26 | 180.0° | 180.0° |
| C15 | C26 | C29 | C38 | 178.3° | 180.0° |
| C26 | C15 | C8 | H8 | 158.5° | 86.3° |
| C15 | C26 | C29 | H29 | 1.7° | 0.0° |
| C16 | C21 | C23 | C25 | 179.4° | 180.0° |
| C16 | C21 | C25 | C30 | 141.5° | 180.0° |
| C16 | C21 | C25 | C31 | 38.0° | 0.3° |
| C16 | C21 | C23 | H23 | 178.2° | 180.0° |
| O27 | C17 | N28 | C38 | 2.6° | 0.1° |
| O27 | C17 | N28 | HN28 | 177.4° | 180.0° |
| C17 | N28 | C38 | HN28 | 180.0° | 179.9° |
| C17 | N28 | C38 | C29 | 153.7° | 180.0° |
| C17 | N28 | C38 | H38 | 86.3° | 60.0° |
| C17 | N28 | C38 | H38A | 33.7° | 60.0° |
| C18 | N22 | C24 | N19 | 0.8° | 0.0° |
| N22 | C18 | N32 | C39 | 172.6° | 0.0° |
| C18 | N22 | C24 | H24 | 179.2° | 179.9° |
| N22 | C18 | N32 | HN32 | 52.6° | 179.9° |
| N32 | C18 | N22 | C24 | 177.4° | 180.0° |
| C18 | N32 | C39 | HN32 | 120.0° | 180.0° |
| C18 | N32 | C39 | C40 | 86.8° | 180.0° |
| C18 | N32 | C39 | H39 | 153.2° | 60.1° |
| C18 | N32 | C39 | H39A | 33.2° | 60.0° |
| N19 | C24 | N22 | H24 | 180.0° | 179.9° |
| C23 | C21 | C25 | C30 | 37.8° | 0.0° |
| C23 | C21 | C25 | C31 | 142.6° | 179.7° |
| C23 | C21 | C16 | H16 | 178.4° | 180.0° |
| C21 | C25 | C30 | C31 | 179.5° | 179.7° |
| C21 | C25 | C30 | C36 | 179.5° | 180.0° |
| C21 | C25 | C31 | C35 | 178.1° | 180.0° |
| C25 | C21 | C16 | H16 | 1.0° | 0.0° |
| C25 | C21 | C23 | H23 | 1.1° | 0.0° |
| C21 | C25 | C30 | H30 | 0.5° | 0.0° |
| C21 | C25 | C31 | H31 | 1.9° | 0.0° |
| C25 | C30 | C36 | H30 | 180.0° | 180.0° |
| C30 | C25 | C31 | C35 | 2.4° | 0.2° |
| C25 | C30 | C36 | C34 | 1.5° | 0.0° |
| C30 | C25 | C31 | H31 | 177.6° | 179.8° |
| C25 | C30 | C36 | H36 | 178.5° | 180.0° |
| C31 | C25 | C30 | C36 | 1.0° | 0.2° |
| C25 | C31 | C35 | H31 | 180.0° | 180.0° |
| C25 | C31 | C35 | C34 | 4.3° | 0.0° |
| C31 | C25 | C30 | H30 | 179.0° | 179.7° |
| C25 | C31 | C35 | H35 | 175.7° | 180.0° |
| C26 | C29 | C38 | N28 | 157.3° | 125.0° |
| C26 | C29 | C38 | H29 | 180.0° | 180.0° |
| C29 | C26 | C15 | H15 | 20.6° | 112.0° |
| C26 | C29 | C38 | H38 | 82.7° | 4.9° |
| C26 | C29 | C38 | H38A | 37.2° | 115.0° |
| N28 | C38 | C29 | H38 | 120.0° | 120.1° |
| N28 | C38 | C29 | H38A | 120.0° | 120.0° |
| N28 | C38 | C29 | H29 | 22.8° | 54.9° |
| N28 | C38 | H38 | H38A | 121.1° | 120.0° |
| C38 | C29 | C26 | H26 | 1.7° | 0.0° |
| C29 | C38 | N28 | HN28 | 26.4° | 0.0° |
| C29 | C38 | H38 | H38A | 121.0° | 120.0° |
| C30 | C36 | C34 | C35 | 3.9° | 0.3° |
| C30 | C36 | C34 | H36 | 180.0° | 180.0° |
| C30 | C36 | C34 | F37 | 177.2° | 180.0° |
| C31 | C35 | C34 | H35 | 180.0° | 180.0° |
| C31 | C35 | C34 | C36 | 5.4° | 0.3° |
| C31 | C35 | C34 | F37 | 178.6° | 180.0° |
| N32 | C39 | C40 | H39 | 120.0° | 120.0° |
| N32 | C39 | C40 | H39A | 120.0° | 120.1° |
| N32 | C39 | C40 | C41 | 167.7° | 180.0° |
| N32 | C39 | H39 | H39A | 120.1° | 120.1° |
| N32 | C39 | C40 | H40 | 72.3° | 60.1° |
| N32 | C39 | C40 | H40A | 47.7° | 60.0° |
| C35 | C34 | C36 | F37 | 173.3° | 179.7° |
| C34 | C35 | C31 | H31 | 175.7° | 180.0° |
| C35 | C34 | C36 | H36 | 176.2° | 179.7° |
| C34 | C36 | C30 | H30 | 178.5° | 180.0° |
| C36 | C34 | C35 | H35 | 174.6° | 179.8° |
| F37 | C34 | C35 | H35 | 1.4° | 0.1° |
| F37 | C34 | C36 | H36 | 2.8° | 0.0° |
| C39 | C40 | C41 | H40 | 120.0° | 119.9° |
| C39 | C40 | C41 | H40A | 120.0° | 120.0° |
| C40 | C39 | N32 | HN32 | 33.2° | 0.1° |
| C40 | C39 | H39 | H39A | 120.1° | 120.0° |
| C39 | C40 | H40 | H40A | 121.2° | 120.0° |
| C39 | C40 | C41 | H41 | 180.0° | 60.1° |
| C39 | C40 | C41 | H41A | 60.0° | 60.0° |
| C39 | C40 | C41 | H41B | 60.0° | 180.0° |
| C41 | C40 | C39 | H39 | 47.7° | 60.0° |
| C41 | C40 | C39 | H39A | 72.3° | 59.9° |
| C41 | C40 | H40 | H40A | 121.3° | 120.0° |
| C40 | C41 | H41 | H41A | 120.0° | 120.0° |
| C40 | C41 | H41 | H41B | 120.0° | 120.0° |
| C40 | C41 | H41A | H41B | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 156.0° | 123.8° |
| H3 | C3 | C8 | H8 | 161.0° | 102.3° |
| H3 | C3 | O11 | HO11 | 53.9° | 61.2° |
| H8 | C8 | C14 | H14 | 53.6° | 176.4° |
| H8 | C8 | C14 | H14A | 66.4° | 56.3° |
| H8 | C8 | C14 | H14B | 173.6° | 63.7° |
| H8 | C8 | C15 | H15 | 40.1° | 36.7° |
| H14 | C14 | H14A | H14B | 120.0° | 120.0° |
| H15 | C15 | C26 | H26 | 159.4° | 67.9° |
| H26 | C26 | C29 | H29 | 178.3° | 180.0° |
| HN28 | N28 | C38 | H38 | 93.6° | 120.0° |
| HN28 | N28 | C38 | H38A | 146.4° | 120.0° |
| H29 | C29 | C38 | H38 | 97.3° | 175.0° |
| H29 | C29 | C38 | H38A | 142.8° | 65.0° |
| H30 | C30 | C36 | H36 | 1.4° | 0.0° |
| H31 | C31 | C35 | H35 | 4.3° | 0.0° |
| HN32 | N32 | C39 | H39 | 86.8° | 120.0° |
| HN32 | N32 | C39 | H39A | 153.2° | 120.0° |
| H39 | C39 | C40 | H40 | 167.7° | 180.0° |
| H39 | C39 | C40 | H40A | 72.4° | 60.0° |
| H39A | C39 | C40 | H40 | 47.7° | 60.0° |
| H39A | C39 | C40 | H40A | 167.7° | 180.0° |
| H40 | C40 | C41 | H41 | 60.0° | 180.0° |
| H40 | C40 | C41 | H41A | 180.0° | 59.9° |
| H40 | C40 | C41 | H41B | 60.0° | 60.0° |
| H40A | C40 | C41 | H41 | 60.0° | 60.0° |
| H40A | C40 | C41 | H41A | 60.0° | 180.0° |
| H40A | C40 | C41 | H41B | 180.0° | 60.0° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
