KJB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | N36 | doub | 1.32Å | 1.32Å | Aromatic |
| C35 | N34 | sing | 1.32Å | 1.32Å | Aromatic |
| N36 | C31 | sing | 1.33Å | 1.32Å | Aromatic |
| N34 | C33 | doub | 1.32Å | 1.32Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| C31 | C28 | sing | 1.48Å | 1.38Å | |
| C31 | C32 | doub | 1.40Å | 1.38Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.37Å | Aromatic |
| C32 | O37 | sing | 1.36Å | 1.34Å | |
| C25 | N24 | sing | 1.40Å | 1.19Å | |
| C25 | C26 | doub | 1.39Å | 1.49Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| O37 | C38 | sing | 1.43Å | 1.39Å | |
| N24 | C23 | sing | 1.47Å | 1.16Å | |
| C26 | N41 | sing | 1.40Å | 1.29Å | |
| C39 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C40 | sing | 1.53Å | 1.51Å | |
| C23 | N41 | sing | 1.47Å | 1.55Å | |
| C23 | N22 | sing | 1.46Å | 1.13Å | |
| N22 | C1 | sing | 1.39Å | 1.38Å | |
| C1 | N2 | doub | 1.32Å | 1.28Å | Aromatic |
| C1 | C21 | sing | 1.39Å | 1.51Å | Aromatic |
| N2 | C3 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| O12 | C11 | doub | 1.21Å | 1.22Å | |
| F17 | C14 | sing | 1.40Å | 1.31Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | N7 | sing | 1.47Å | 1.50Å | |
| C5 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C18 | N10 | sing | 1.47Å | 1.51Å | |
| F16 | C14 | sing | 1.40Å | 1.32Å | |
| C11 | N10 | sing | 1.35Å | 1.31Å | |
| C11 | C13 | sing | 1.51Å | 1.57Å | |
| C6 | N7 | sing | 1.47Å | 1.45Å | |
| C6 | C20 | sing | 1.53Å | 1.54Å | |
| C14 | F15 | sing | 1.40Å | 1.32Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| N10 | C9 | sing | 1.47Å | 1.41Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C27 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å | |
| C30 | H21 | sing | 1.08Å | 1.08Å | |
| C33 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C38 | H24 | sing | 1.09Å | 1.10Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C40 | H28 | sing | 1.09Å | 1.10Å | |
| C40 | H29 | sing | 1.09Å | 1.10Å | |
| C40 | H30 | sing | 1.09Å | 1.10Å | |
| N22 | H31 | sing | 0.97Å | 1.00Å | |
| N24 | H32 | sing | 0.97Å | 1.00Å | |
| N41 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N36 | C35 | N34 | 122.0° | 122.0° |
| C35 | N36 | C31 | 121.6° | 120.7° |
| N36 | C35 | H23 | 119.0° | 119.0° |
| C35 | N34 | C33 | 119.2° | 121.1° |
| N34 | C35 | H23 | 119.0° | 119.0° |
| N36 | C31 | C28 | 116.3° | 120.6° |
| N36 | C31 | C32 | 117.6° | 118.8° |
| N34 | C33 | C32 | 120.2° | 119.1° |
| N34 | C33 | H22 | 119.9° | 120.4° |
| C30 | C29 | C28 | 119.1° | 120.0° |
| C29 | C30 | C25 | 127.8° | 120.3° |
| C30 | C29 | H20 | 120.4° | 120.0° |
| C29 | C30 | H21 | 116.1° | 119.8° |
| C29 | C28 | C31 | 117.2° | 120.1° |
| C29 | C28 | C27 | 120.0° | 119.9° |
| C28 | C29 | H20 | 120.5° | 120.0° |
| C28 | C31 | C32 | 125.4° | 120.6° |
| C31 | C28 | C27 | 122.7° | 120.0° |
| C31 | C32 | C33 | 118.9° | 118.2° |
| C31 | C32 | O37 | 120.4° | 120.9° |
| C30 | C25 | N24 | 152.0° | 130.3° |
| C30 | C25 | C26 | 108.8° | 119.9° |
| C25 | C30 | H21 | 116.1° | 119.9° |
| C33 | C32 | O37 | 120.5° | 120.9° |
| C32 | C33 | H22 | 119.9° | 120.4° |
| C28 | C27 | C26 | 119.0° | 120.0° |
| C28 | C27 | H19 | 120.5° | 120.1° |
| C32 | O37 | C38 | 112.4° | 117.0° |
| N24 | C25 | C26 | 98.8° | 109.8° |
| C25 | N24 | C23 | 119.7° | 107.4° |
| C25 | N24 | H32 | 106.8° | 126.3° |
| C25 | C26 | C27 | 125.1° | 119.9° |
| C25 | C26 | N41 | 114.9° | 109.8° |
| C27 | C26 | N41 | 119.7° | 130.4° |
| C26 | C27 | H19 | 120.5° | 119.9° |
| O37 | C38 | C39 | 108.7° | 109.5° |
| O37 | C38 | C40 | 88.0° | 109.5° |
| O37 | C38 | H24 | 116.4° | 109.5° |
| N24 | C23 | N41 | 109.4° | 105.9° |
| N24 | C23 | N22 | 120.7° | 110.2° |
| N24 | C23 | H18 | 102.4° | 110.2° |
| C23 | N24 | H32 | 106.9° | 126.3° |
| C26 | N41 | C23 | 92.3° | 107.2° |
| C26 | N41 | H33 | 113.6° | 126.3° |
| C39 | C38 | C40 | 113.3° | 109.5° |
| C39 | C38 | H24 | 113.8° | 109.5° |
| C38 | C39 | H25 | 109.5° | 109.5° |
| C38 | C39 | H26 | 109.5° | 109.5° |
| C38 | C39 | H27 | 109.5° | 109.5° |
| C40 | C38 | H24 | 114.1° | 109.4° |
| C38 | C40 | H28 | 109.5° | 109.5° |
| C38 | C40 | H29 | 109.5° | 109.5° |
| C38 | C40 | H30 | 109.5° | 109.5° |
| N41 | C23 | N22 | 118.1° | 110.2° |
| N41 | C23 | H18 | 99.3° | 110.1° |
| C23 | N41 | H33 | 113.6° | 126.5° |
| C23 | N22 | C1 | 135.7° | 120.0° |
| N22 | C23 | H18 | 102.7° | 110.1° |
| C23 | N22 | H31 | 102.6° | 120.0° |
| N22 | C1 | N2 | 112.7° | 119.7° |
| N22 | C1 | C21 | 125.6° | 119.7° |
| C1 | N22 | H31 | 102.6° | 120.0° |
| N2 | C1 | C21 | 116.9° | 120.6° |
| C1 | N2 | C3 | 130.3° | 121.6° |
| C1 | C21 | C5 | 112.0° | 119.1° |
| C1 | C21 | H17 | 124.0° | 120.4° |
| N2 | C3 | C4 | 113.7° | 120.9° |
| N2 | C3 | H9 | 123.1° | 119.5° |
| C21 | C5 | C4 | 124.7° | 118.5° |
| C21 | C5 | C6 | 114.1° | 120.8° |
| C5 | C21 | H17 | 124.0° | 120.5° |
| C3 | C4 | C5 | 120.3° | 119.3° |
| C3 | C4 | H1 | 119.8° | 120.3° |
| C4 | C3 | H9 | 123.1° | 119.6° |
| O12 | C11 | N10 | 122.2° | 120.0° |
| O12 | C11 | C13 | 122.0° | 119.9° |
| F17 | C14 | F16 | 102.0° | 109.5° |
| F17 | C14 | F15 | 109.4° | 109.5° |
| F17 | C14 | C13 | 115.5° | 109.5° |
| C18 | C19 | N7 | 106.6° | 109.3° |
| C19 | C18 | N10 | 100.7° | 108.5° |
| C19 | C18 | H10 | 111.7° | 109.6° |
| C19 | C18 | H11 | 111.6° | 109.8° |
| C18 | C19 | H12 | 110.2° | 109.5° |
| C18 | C19 | H13 | 110.2° | 109.5° |
| C19 | N7 | C6 | 111.1° | 111.0° |
| C19 | N7 | C8 | 110.4° | 111.2° |
| N7 | C19 | H12 | 110.2° | 109.5° |
| N7 | C19 | H13 | 110.2° | 109.5° |
| C4 | C5 | C6 | 120.4° | 120.7° |
| C5 | C4 | H1 | 119.9° | 120.4° |
| C5 | C6 | N7 | 122.2° | 109.4° |
| C5 | C6 | C20 | 104.8° | 109.5° |
| C5 | C6 | H2 | 107.3° | 109.5° |
| C18 | N10 | C11 | 115.2° | 120.9° |
| C18 | N10 | C9 | 117.9° | 118.2° |
| N10 | C18 | H10 | 111.6° | 109.6° |
| N10 | C18 | H11 | 111.6° | 109.6° |
| F16 | C14 | F15 | 108.0° | 109.4° |
| F16 | C14 | C13 | 107.5° | 109.4° |
| N10 | C11 | C13 | 115.8° | 120.0° |
| C11 | N10 | C9 | 126.8° | 120.9° |
| C11 | C13 | C14 | 104.4° | 109.5° |
| C11 | C13 | H7 | 110.7° | 109.4° |
| C11 | C13 | H8 | 110.7° | 109.5° |
| N7 | C6 | C20 | 107.3° | 109.5° |
| C6 | N7 | C8 | 109.0° | 111.0° |
| N7 | C6 | H2 | 107.7° | 109.5° |
| C20 | C6 | H2 | 106.6° | 109.5° |
| C6 | C20 | H14 | 109.5° | 109.5° |
| C6 | C20 | H15 | 109.4° | 109.5° |
| C6 | C20 | H16 | 109.5° | 109.5° |
| F15 | C14 | C13 | 113.6° | 109.5° |
| C14 | C13 | H7 | 110.8° | 109.5° |
| C14 | C13 | H8 | 110.7° | 109.5° |
| N7 | C8 | C9 | 107.7° | 109.4° |
| N7 | C8 | H3 | 109.9° | 109.5° |
| N7 | C8 | H4 | 109.9° | 109.5° |
| N10 | C9 | C8 | 102.4° | 108.5° |
| N10 | C9 | H5 | 111.2° | 109.6° |
| N10 | C9 | H6 | 111.2° | 109.8° |
| C9 | C8 | H3 | 109.9° | 109.5° |
| C9 | C8 | H4 | 109.9° | 109.5° |
| C8 | C9 | H5 | 111.2° | 109.6° |
| C8 | C9 | H6 | 111.2° | 109.6° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H5 | C9 | H6 | 109.5° | 109.6° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.5° | 109.6° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H25 | C39 | H26 | 109.4° | 109.5° |
| H25 | C39 | H27 | 109.4° | 109.4° |
| H26 | C39 | H27 | 109.5° | 109.5° |
| H28 | C40 | H29 | 109.4° | 109.5° |
| H28 | C40 | H30 | 109.5° | 109.5° |
| H29 | C40 | H30 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C35 | N34 | H23 | 180.0° | 179.5° |
| N36 | C35 | N34 | C33 | 0.3° | 0.3° |
| C35 | N36 | C31 | C28 | 178.9° | 179.8° |
| C35 | N36 | C31 | C32 | 7.9° | 0.5° |
| N34 | C35 | N36 | C31 | 4.2° | 0.5° |
| C35 | N34 | C33 | C32 | 0.6° | 0.0° |
| C35 | N34 | C33 | H22 | 179.4° | 180.0° |
| N36 | C31 | C28 | C29 | 4.8° | 144.7° |
| N36 | C31 | C28 | C32 | 170.1° | 179.7° |
| N36 | C31 | C32 | C33 | 8.0° | 0.3° |
| N36 | C31 | C28 | C27 | 173.1° | 35.3° |
| N36 | C31 | C32 | O37 | 176.5° | 179.8° |
| C31 | N36 | C35 | H23 | 175.8° | 180.0° |
| N34 | C33 | C32 | C31 | 4.5° | 0.0° |
| N34 | C33 | C32 | H22 | 180.0° | 180.0° |
| N34 | C33 | C32 | O37 | 180.0° | 180.0° |
| C33 | N34 | C35 | H23 | 179.7° | 179.8° |
| C30 | C29 | C28 | H20 | 180.0° | 180.0° |
| C30 | C29 | C28 | C31 | 179.5° | 180.0° |
| C29 | C30 | C25 | H21 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 2.6° | 0.0° |
| C29 | C30 | C25 | N24 | 174.4° | 180.0° |
| C29 | C30 | C25 | C26 | 5.1° | 0.1° |
| C29 | C28 | C31 | C27 | 177.9° | 180.0° |
| C29 | C28 | C31 | C32 | 175.0° | 35.0° |
| C28 | C29 | C30 | C25 | 4.8° | 0.1° |
| C29 | C28 | C27 | C26 | 1.7° | 0.0° |
| C29 | C28 | C27 | H19 | 178.4° | 180.0° |
| C28 | C29 | C30 | H21 | 175.2° | 180.0° |
| C28 | C31 | C32 | C33 | 178.0° | 179.9° |
| C28 | C31 | C32 | O37 | 6.5° | 0.1° |
| C31 | C28 | C27 | C26 | 179.5° | 180.0° |
| C31 | C28 | C27 | H19 | 0.5° | 0.0° |
| C31 | C28 | C29 | H20 | 0.5° | 0.0° |
| C31 | C32 | C33 | O37 | 175.5° | 180.0° |
| C32 | C31 | C28 | C27 | 2.9° | 145.0° |
| C31 | C32 | O37 | C38 | 152.7° | 174.4° |
| C31 | C32 | C33 | H22 | 175.5° | 180.0° |
| C30 | C25 | N24 | C26 | 169.8° | 179.9° |
| C30 | C25 | C26 | C27 | 3.9° | 0.0° |
| C30 | C25 | N24 | C23 | 160.4° | 180.0° |
| C30 | C25 | C26 | N41 | 176.9° | 179.9° |
| C25 | C30 | C29 | H20 | 175.2° | 179.9° |
| C30 | C25 | N24 | H32 | 78.2° | 0.1° |
| C33 | C32 | O37 | C38 | 22.7° | 5.6° |
| C28 | C27 | C26 | C25 | 2.6° | 0.0° |
| C28 | C27 | C26 | H19 | 180.0° | 180.0° |
| C28 | C27 | C26 | N41 | 175.2° | 180.0° |
| C27 | C28 | C29 | H20 | 177.5° | 180.0° |
| C32 | O37 | C38 | C39 | 62.5° | 155.0° |
| C32 | O37 | C38 | C40 | 176.5° | 85.0° |
| O37 | C32 | C33 | H22 | 0.0° | 0.0° |
| C32 | O37 | C38 | H24 | 67.5° | 35.0° |
| N24 | C25 | C26 | C27 | 178.8° | 180.0° |
| C25 | N24 | C23 | H32 | 121.5° | 179.9° |
| N24 | C25 | C26 | N41 | 8.2° | 0.0° |
| C25 | N24 | C23 | N41 | 20.9° | 0.1° |
| C25 | N24 | C23 | N22 | 163.2° | 119.1° |
| C25 | N24 | C23 | H18 | 83.7° | 119.1° |
| N24 | C25 | C30 | H21 | 5.6° | 0.1° |
| C25 | C26 | C27 | N41 | 172.7° | 180.0° |
| C26 | C25 | N24 | C23 | 9.4° | 0.0° |
| C25 | C26 | N41 | C23 | 16.2° | 0.0° |
| C25 | C26 | C27 | H19 | 177.5° | 180.0° |
| C26 | C25 | C30 | H21 | 174.9° | 180.0° |
| C26 | C25 | N24 | H32 | 112.1° | 180.0° |
| C25 | C26 | N41 | H33 | 133.2° | 179.9° |
| C27 | C26 | N41 | C23 | 170.4° | 180.0° |
| C27 | C26 | N41 | H33 | 53.4° | 0.1° |
| O37 | C38 | C39 | C40 | 96.0° | 120.0° |
| O37 | C38 | C39 | H24 | 131.5° | 120.0° |
| O37 | C38 | C40 | H24 | 118.2° | 120.0° |
| O37 | C38 | C39 | H25 | 180.0° | 180.0° |
| O37 | C38 | C39 | H26 | 60.0° | 60.1° |
| O37 | C38 | C39 | H27 | 60.0° | 60.0° |
| O37 | C38 | C40 | H28 | 180.0° | 60.0° |
| O37 | C38 | C40 | H29 | 60.0° | 180.0° |
| O37 | C38 | C40 | H30 | 60.0° | 60.0° |
| N24 | C23 | N41 | C26 | 21.4° | 0.1° |
| N24 | C23 | N41 | N22 | 143.4° | 119.2° |
| N24 | C23 | N41 | H18 | 106.8° | 119.1° |
| N24 | C23 | N22 | H18 | 113.0° | 121.8° |
| N24 | C23 | N22 | C1 | 174.7° | 78.6° |
| N24 | C23 | N22 | H31 | 51.5° | 101.4° |
| N24 | C23 | N41 | H33 | 138.4° | 179.9° |
| C26 | N41 | C23 | H33 | 117.0° | 179.9° |
| C26 | N41 | C23 | N22 | 164.8° | 119.1° |
| C26 | N41 | C23 | H18 | 85.3° | 119.2° |
| N41 | C26 | C27 | H19 | 4.8° | 0.0° |
| C39 | C38 | C40 | H24 | 132.3° | 120.0° |
| C38 | C39 | H25 | H26 | 120.0° | 120.0° |
| C38 | C39 | H25 | H27 | 120.0° | 120.0° |
| C38 | C39 | H26 | H27 | 120.0° | 120.1° |
| C39 | C38 | C40 | H28 | 70.5° | 180.0° |
| C39 | C38 | C40 | H29 | 169.5° | 60.0° |
| C39 | C38 | C40 | H30 | 49.6° | 60.0° |
| C40 | C38 | C39 | H25 | 84.0° | 60.0° |
| C40 | C38 | C39 | H26 | 36.0° | 180.0° |
| C40 | C38 | C39 | H27 | 156.0° | 59.9° |
| C38 | C40 | H28 | H29 | 120.0° | 120.0° |
| C38 | C40 | H28 | H30 | 120.0° | 120.0° |
| C38 | C40 | H29 | H30 | 120.0° | 120.0° |
| N41 | C23 | N22 | H18 | 107.9° | 121.7° |
| N41 | C23 | N22 | C1 | 35.6° | 165.0° |
| N41 | C23 | N22 | H31 | 87.6° | 15.1° |
| N41 | C23 | N24 | H32 | 100.6° | 180.0° |
| C23 | N22 | C1 | H31 | 123.2° | 180.0° |
| C23 | N22 | C1 | N2 | 1.7° | 180.0° |
| C23 | N22 | C1 | C21 | 152.6° | 0.2° |
| N22 | C23 | N24 | H32 | 41.7° | 60.8° |
| N22 | C23 | N41 | H33 | 78.1° | 60.8° |
| N22 | C1 | N2 | C21 | 156.7° | 179.7° |
| N22 | C1 | N2 | C3 | 172.3° | 180.0° |
| N22 | C1 | C21 | C5 | 168.7° | 180.0° |
| N22 | C1 | C21 | H17 | 11.3° | 0.2° |
| C1 | N22 | C23 | H18 | 72.3° | 43.3° |
| N2 | C1 | C21 | C5 | 15.3° | 0.2° |
| C1 | N2 | C3 | C4 | 8.9° | 0.1° |
| C1 | N2 | C3 | H9 | 171.1° | 180.0° |
| N2 | C1 | C21 | H17 | 164.7° | 180.0° |
| N2 | C1 | N22 | H31 | 121.5° | 0.0° |
| C21 | C1 | N2 | C3 | 15.5° | 0.3° |
| C1 | C21 | C5 | H17 | 180.0° | 179.8° |
| C1 | C21 | C5 | C4 | 11.7° | 0.1° |
| C1 | C21 | C5 | C6 | 178.2° | 180.0° |
| C21 | C1 | N22 | H31 | 84.2° | 179.7° |
| N2 | C3 | C4 | H9 | 180.0° | 179.9° |
| N2 | C3 | C4 | C5 | 3.0° | 0.2° |
| N2 | C3 | C4 | H1 | 177.0° | 180.0° |
| C21 | C5 | C4 | C3 | 6.2° | 0.2° |
| C21 | C5 | C4 | C6 | 169.5° | 180.0° |
| C21 | C5 | C6 | N7 | 75.2° | 140.0° |
| C21 | C5 | C6 | C20 | 162.8° | 100.0° |
| C21 | C5 | C4 | H1 | 173.8° | 179.9° |
| C21 | C5 | C6 | H2 | 49.7° | 20.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 175.6° | 179.8° |
| O12 | C11 | N10 | C18 | 4.6° | 0.1° |
| O12 | C11 | N10 | C13 | 175.9° | 179.9° |
| O12 | C11 | C13 | C14 | 7.5° | 0.1° |
| O12 | C11 | N10 | C9 | 178.6° | 179.9° |
| O12 | C11 | C13 | H7 | 111.7° | 120.1° |
| O12 | C11 | C13 | H8 | 126.7° | 120.0° |
| F17 | C14 | F16 | F15 | 115.2° | 120.0° |
| F17 | C14 | F16 | C13 | 121.9° | 120.0° |
| F17 | C14 | C13 | C11 | 48.9° | 60.0° |
| F17 | C14 | F15 | C13 | 130.6° | 120.0° |
| F17 | C14 | C13 | H7 | 168.1° | 60.0° |
| F17 | C14 | C13 | H8 | 70.3° | 180.0° |
| C18 | C19 | N7 | H12 | 119.6° | 119.9° |
| C18 | C19 | N7 | H13 | 119.5° | 120.0° |
| C19 | C18 | N10 | H10 | 118.6° | 119.7° |
| C19 | C18 | N10 | H11 | 118.5° | 120.0° |
| C19 | C18 | N10 | C11 | 109.4° | 128.8° |
| C18 | C19 | N7 | C6 | 172.7° | 172.7° |
| C18 | C19 | N7 | C8 | 66.4° | 63.1° |
| C19 | C18 | N10 | C9 | 67.7° | 51.2° |
| C19 | C18 | H10 | H11 | 124.1° | 120.6° |
| C18 | C19 | H12 | H13 | 121.3° | 120.1° |
| C19 | N7 | C6 | C5 | 43.6° | 180.0° |
| N7 | C19 | C18 | N10 | 59.4° | 53.9° |
| C19 | N7 | C6 | C8 | 121.8° | 124.3° |
| C19 | N7 | C6 | C20 | 164.5° | 60.0° |
| C19 | N7 | C8 | C9 | 65.8° | 63.1° |
| C19 | N7 | C6 | H2 | 81.1° | 60.0° |
| C19 | N7 | C8 | H3 | 174.4° | 56.9° |
| C19 | N7 | C8 | H4 | 53.9° | 176.9° |
| N7 | C19 | C18 | H10 | 177.9° | 173.6° |
| N7 | C19 | C18 | H11 | 59.2° | 66.0° |
| N7 | C19 | H12 | H13 | 121.3° | 120.1° |
| C4 | C5 | C6 | N7 | 114.2° | 40.0° |
| C4 | C5 | C6 | C20 | 7.8° | 80.0° |
| C4 | C5 | C6 | H2 | 120.9° | 160.0° |
| C5 | C4 | C3 | H9 | 177.0° | 179.7° |
| C4 | C5 | C21 | H17 | 168.3° | 179.8° |
| C5 | C6 | N7 | C20 | 120.9° | 120.0° |
| C5 | C6 | N7 | H2 | 124.7° | 120.0° |
| C5 | C6 | C20 | H2 | 113.5° | 120.0° |
| C5 | C6 | N7 | C8 | 78.2° | 55.7° |
| C6 | C5 | C4 | H1 | 4.3° | 0.0° |
| C5 | C6 | C20 | H14 | 180.0° | 180.0° |
| C5 | C6 | C20 | H15 | 60.0° | 60.0° |
| C5 | C6 | C20 | H16 | 60.0° | 60.0° |
| C6 | C5 | C21 | H17 | 1.8° | 0.2° |
| C18 | N10 | C11 | C9 | 176.8° | 180.0° |
| C18 | N10 | C11 | C13 | 179.6° | 180.0° |
| C18 | N10 | C9 | C8 | 67.5° | 51.2° |
| C18 | N10 | C9 | H5 | 173.6° | 68.5° |
| C18 | N10 | C9 | H6 | 51.4° | 171.0° |
| N10 | C18 | H10 | H11 | 124.1° | 120.3° |
| N10 | C18 | C19 | H12 | 178.9° | 173.8° |
| N10 | C18 | C19 | H13 | 60.2° | 66.1° |
| F16 | C14 | C13 | C11 | 64.2° | 180.0° |
| F16 | C14 | F15 | C13 | 119.1° | 119.9° |
| F16 | C14 | C13 | H7 | 55.0° | 60.1° |
| F16 | C14 | C13 | H8 | 176.6° | 60.0° |
| N10 | C11 | C13 | C14 | 176.6° | 180.0° |
| C11 | N10 | C9 | C8 | 109.3° | 128.8° |
| C11 | N10 | C9 | H5 | 9.6° | 111.5° |
| C11 | N10 | C9 | H6 | 131.9° | 9.0° |
| N10 | C11 | C13 | H7 | 64.2° | 60.1° |
| N10 | C11 | C13 | H8 | 57.4° | 59.9° |
| C11 | N10 | C18 | H10 | 9.2° | 9.0° |
| C11 | N10 | C18 | H11 | 132.1° | 111.3° |
| C11 | C13 | C14 | F15 | 176.4° | 60.1° |
| C11 | C13 | C14 | H7 | 119.2° | 119.9° |
| C11 | C13 | C14 | H8 | 119.2° | 120.0° |
| C13 | C11 | N10 | C9 | 2.8° | 0.1° |
| C11 | C13 | H7 | H8 | 122.4° | 119.9° |
| N7 | C6 | C20 | H2 | 115.1° | 120.0° |
| C6 | N7 | C8 | C9 | 172.0° | 172.8° |
| C6 | N7 | C8 | H3 | 52.2° | 67.3° |
| C6 | N7 | C8 | H4 | 68.3° | 52.8° |
| C6 | N7 | C19 | H12 | 53.1° | 52.8° |
| C6 | N7 | C19 | H13 | 67.8° | 67.3° |
| N7 | C6 | C20 | H14 | 48.7° | 60.0° |
| N7 | C6 | C20 | H15 | 168.7° | 180.0° |
| N7 | C6 | C20 | H16 | 71.4° | 60.0° |
| C20 | C6 | N7 | C8 | 42.7° | 175.7° |
| C6 | C20 | H14 | H15 | 120.0° | 120.0° |
| C6 | C20 | H14 | H16 | 120.0° | 120.0° |
| C6 | C20 | H15 | H16 | 120.0° | 120.0° |
| F15 | C14 | C13 | H7 | 64.4° | 180.0° |
| F15 | C14 | C13 | H8 | 57.2° | 59.9° |
| C14 | C13 | H7 | H8 | 122.4° | 120.1° |
| N7 | C8 | C9 | N10 | 60.5° | 53.8° |
| N7 | C8 | C9 | H3 | 119.7° | 119.9° |
| N7 | C8 | C9 | H4 | 119.7° | 120.0° |
| C8 | N7 | C6 | H2 | 157.1° | 64.3° |
| N7 | C8 | H3 | H4 | 120.8° | 120.0° |
| N7 | C8 | C9 | H5 | 179.4° | 65.9° |
| N7 | C8 | C9 | H6 | 58.3° | 173.7° |
| C8 | N7 | C19 | H12 | 174.0° | 177.0° |
| C8 | N7 | C19 | H13 | 53.2° | 56.9° |
| N10 | C9 | C8 | H5 | 118.9° | 119.7° |
| N10 | C9 | C8 | H6 | 118.9° | 119.9° |
| N10 | C9 | C8 | H3 | 179.7° | 66.1° |
| N10 | C9 | C8 | H4 | 59.2° | 173.8° |
| N10 | C9 | H5 | H6 | 123.3° | 120.6° |
| C9 | N10 | C18 | H10 | 173.7° | 170.9° |
| C9 | N10 | C18 | H11 | 50.8° | 68.8° |
| C9 | C8 | H3 | H4 | 120.8° | 120.1° |
| C8 | C9 | H5 | H6 | 123.3° | 120.4° |
| H1 | C4 | C3 | H9 | 3.0° | 0.1° |
| H2 | C6 | C20 | H14 | 66.5° | 60.0° |
| H2 | C6 | C20 | H15 | 53.5° | 60.0° |
| H2 | C6 | C20 | H16 | 173.5° | 180.0° |
| H3 | C8 | C9 | H5 | 60.9° | 174.2° |
| H3 | C8 | C9 | H6 | 61.4° | 53.8° |
| H4 | C8 | C9 | H5 | 59.6° | 54.1° |
| H4 | C8 | C9 | H6 | 178.1° | 66.3° |
| H10 | C18 | C19 | H12 | 62.5° | 66.5° |
| H10 | C18 | C19 | H13 | 58.4° | 53.6° |
| H11 | C18 | C19 | H12 | 60.4° | 53.9° |
| H11 | C18 | C19 | H13 | 178.7° | 174.0° |
| H14 | C20 | H15 | H16 | 120.0° | 119.9° |
| H18 | C23 | N22 | H31 | 164.5° | 136.8° |
| H18 | C23 | N24 | H32 | 154.8° | 60.9° |
| H18 | C23 | N41 | H33 | 31.7° | 60.9° |
| H20 | C29 | C30 | H21 | 4.8° | 0.0° |
| H24 | C38 | C39 | H25 | 48.5° | 60.0° |
| H24 | C38 | C39 | H26 | 168.5° | 60.0° |
| H24 | C38 | C39 | H27 | 71.5° | 179.9° |
| H24 | C38 | C40 | H28 | 61.8° | 60.0° |
| H24 | C38 | C40 | H29 | 58.2° | 60.0° |
| H24 | C38 | C40 | H30 | 178.1° | 180.0° |
| H25 | C39 | H26 | H27 | 120.0° | 120.0° |
| H28 | C40 | H29 | H30 | 120.0° | 120.0° |
