8R3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | O23 | sing | 1.43Å | 1.44Å | |
| CL2 | C9 | sing | 1.74Å | 1.74Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | O23 | sing | 1.36Å | 1.39Å | |
| C6 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C63 | N62 | sing | 1.46Å | 1.48Å | |
| C3 | C11 | sing | 1.54Å | 1.52Å | |
| C3 | C1 | sing | 1.51Å | 1.54Å | |
| C11 | N12 | sing | 1.47Å | 1.43Å | |
| N12 | C13 | sing | 1.39Å | 1.37Å | |
| N62 | N14 | sing | 1.40Å | 1.36Å | |
| N62 | C68 | sing | 1.46Å | 1.47Å | |
| C13 | N14 | doub | 1.29Å | 1.31Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | N16 | sing | 1.47Å | 1.48Å | |
| C1 | N16 | sing | 1.35Å | 1.40Å | |
| C1 | O2 | doub | 1.21Å | 1.25Å | |
| O33 | C31 | doub | 1.21Å | 1.27Å | |
| N16 | C17 | sing | 1.46Å | 1.47Å | |
| O30 | C19 | doub | 1.21Å | 1.24Å | |
| C31 | O32 | sing | 1.35Å | 1.27Å | |
| C31 | C26 | sing | 1.48Å | 1.51Å | |
| C19 | C17 | sing | 1.51Å | 1.54Å | |
| C19 | N20 | sing | 1.35Å | 1.40Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| N20 | C21 | sing | 1.40Å | 1.41Å | |
| C21 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| O32 | H1 | sing | 0.97Å | 0.95Å | |
| C25 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C29 | H5 | sing | 1.08Å | 1.08Å | |
| N20 | H6 | sing | 0.97Å | 1.00Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C68 | H12 | sing | 1.09Å | 1.10Å | |
| C68 | H13 | sing | 1.09Å | 1.10Å | |
| C68 | H14 | sing | 1.09Å | 1.10Å | |
| C63 | H15 | sing | 1.09Å | 1.10Å | |
| C63 | H16 | sing | 1.09Å | 1.10Å | |
| C63 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C4 | H22 | sing | 1.09Å | 1.10Å | |
| C10 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.08Å | 1.08Å | |
| C8 | H28 | sing | 1.08Å | 1.08Å | |
| N12 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C8 | C9 | 120.1° | 120.1° |
| C8 | C7 | C6 | 121.8° | 119.9° |
| C8 | C7 | H27 | 119.1° | 120.0° |
| C7 | C8 | H28 | 120.0° | 119.9° |
| C8 | C9 | CL2 | 119.2° | 120.0° |
| C8 | C9 | C10 | 119.2° | 120.1° |
| C9 | C8 | H28 | 119.9° | 120.0° |
| C7 | C6 | O23 | 126.9° | 120.0° |
| C7 | C6 | C5 | 118.0° | 119.9° |
| C6 | C7 | H27 | 119.1° | 120.0° |
| C24 | O23 | C6 | 125.7° | 117.0° |
| O23 | C24 | H24 | 109.5° | 109.4° |
| O23 | C24 | H25 | 109.5° | 109.5° |
| O23 | C24 | H26 | 109.4° | 109.5° |
| CL2 | C9 | C10 | 121.6° | 119.9° |
| C9 | C10 | C5 | 121.5° | 120.0° |
| C9 | C10 | H23 | 119.2° | 120.0° |
| O23 | C6 | C5 | 115.1° | 120.1° |
| C6 | C5 | C10 | 119.4° | 120.0° |
| C6 | C5 | C4 | 121.7° | 120.0° |
| C10 | C5 | C4 | 118.9° | 120.0° |
| C5 | C10 | H23 | 119.2° | 119.9° |
| C5 | C4 | C3 | 117.5° | 109.4° |
| C5 | C4 | H21 | 107.5° | 109.5° |
| C5 | C4 | H22 | 107.4° | 109.5° |
| C4 | C3 | C11 | 109.3° | 109.5° |
| C4 | C3 | C1 | 114.5° | 109.7° |
| C4 | C3 | H20 | 107.6° | 109.6° |
| C3 | C4 | H21 | 107.4° | 109.4° |
| C3 | C4 | H22 | 107.5° | 109.5° |
| C63 | N62 | N14 | 110.7° | 119.9° |
| C63 | N62 | C68 | 113.9° | 120.1° |
| N62 | C63 | H15 | 109.5° | 109.5° |
| N62 | C63 | H16 | 109.4° | 109.4° |
| N62 | C63 | H17 | 109.5° | 109.5° |
| C11 | C3 | C1 | 109.5° | 108.9° |
| C3 | C11 | N12 | 119.2° | 109.1° |
| C3 | C11 | H18 | 107.0° | 109.7° |
| C3 | C11 | H19 | 107.0° | 109.5° |
| C11 | C3 | H20 | 107.9° | 109.5° |
| C3 | C1 | N16 | 116.1° | 120.6° |
| C3 | C1 | O2 | 122.2° | 119.7° |
| C1 | C3 | H20 | 107.7° | 109.5° |
| C11 | N12 | C13 | 131.9° | 119.8° |
| N12 | C11 | H18 | 107.0° | 109.5° |
| N12 | C11 | H19 | 107.0° | 109.5° |
| C11 | N12 | H30 | 114.1° | 120.1° |
| N12 | C13 | N14 | 121.5° | 120.4° |
| N12 | C13 | C15 | 122.0° | 119.2° |
| C13 | N12 | H30 | 114.0° | 120.1° |
| N14 | N62 | C68 | 118.5° | 120.0° |
| N62 | N14 | C13 | 113.4° | 120.0° |
| N62 | C68 | H12 | 109.5° | 109.5° |
| N62 | C68 | H13 | 109.5° | 109.4° |
| N62 | C68 | H14 | 109.5° | 109.5° |
| N14 | C13 | C15 | 116.6° | 120.4° |
| C13 | C15 | N16 | 114.8° | 108.8° |
| C13 | C15 | H9 | 108.2° | 109.6° |
| C13 | C15 | H10 | 108.1° | 109.7° |
| C15 | N16 | C1 | 125.5° | 119.5° |
| C15 | N16 | C17 | 117.7° | 120.3° |
| N16 | C15 | H9 | 108.1° | 109.6° |
| N16 | C15 | H10 | 108.2° | 109.6° |
| N16 | C1 | O2 | 121.7° | 119.7° |
| C1 | N16 | C17 | 116.8° | 120.2° |
| O33 | C31 | O32 | 119.7° | 120.0° |
| O33 | C31 | C26 | 120.9° | 120.0° |
| N16 | C17 | C19 | 107.8° | 109.5° |
| N16 | C17 | H7 | 109.9° | 109.4° |
| N16 | C17 | H8 | 109.9° | 109.5° |
| O30 | C19 | C17 | 116.7° | 120.1° |
| O30 | C19 | N20 | 127.8° | 120.0° |
| O32 | C31 | C26 | 119.4° | 120.0° |
| C31 | O32 | H1 | 109.5° | 117.0° |
| C31 | C26 | C25 | 121.2° | 120.2° |
| C31 | C26 | C27 | 122.0° | 120.1° |
| C17 | C19 | N20 | 115.5° | 120.0° |
| C19 | C17 | H7 | 109.9° | 109.5° |
| C19 | C17 | H8 | 109.9° | 109.5° |
| C19 | N20 | C21 | 127.6° | 120.0° |
| C19 | N20 | H6 | 116.2° | 120.0° |
| C26 | C25 | C21 | 123.2° | 119.8° |
| C25 | C26 | C27 | 116.8° | 119.7° |
| C26 | C25 | H2 | 118.4° | 120.1° |
| C25 | C21 | N20 | 125.2° | 120.0° |
| C25 | C21 | C29 | 117.9° | 120.0° |
| C21 | C25 | H2 | 118.4° | 120.1° |
| C26 | C27 | C28 | 120.9° | 120.0° |
| C26 | C27 | H3 | 119.6° | 120.0° |
| N20 | C21 | C29 | 116.9° | 120.0° |
| C21 | N20 | H6 | 116.2° | 120.0° |
| C21 | C29 | C28 | 120.3° | 120.3° |
| C21 | C29 | H5 | 119.9° | 119.8° |
| C27 | C28 | C29 | 120.9° | 120.2° |
| C28 | C27 | H3 | 119.5° | 120.0° |
| C27 | C28 | H4 | 119.6° | 119.9° |
| C29 | C28 | H4 | 119.5° | 119.9° |
| C28 | C29 | H5 | 119.9° | 119.9° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H12 | C68 | H13 | 109.4° | 109.5° |
| H12 | C68 | H14 | 109.4° | 109.5° |
| H13 | C68 | H14 | 109.5° | 109.4° |
| H15 | C63 | H16 | 109.5° | 109.4° |
| H15 | C63 | H17 | 109.5° | 109.5° |
| H16 | C63 | H17 | 109.4° | 109.4° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H21 | C4 | H22 | 109.4° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.5° |
| H24 | C24 | H26 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C8 | C9 | H28 | 180.0° | 179.7° |
| C8 | C7 | C6 | H27 | 180.0° | 180.0° |
| C7 | C8 | C9 | CL2 | 179.3° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 0.3° |
| C8 | C7 | C6 | O23 | 179.2° | 179.9° |
| C8 | C7 | C6 | C5 | 0.5° | 0.0° |
| C9 | C8 | C7 | C6 | 1.0° | 0.3° |
| C8 | C9 | CL2 | C10 | 179.8° | 179.8° |
| C8 | C9 | C10 | C5 | 0.3° | 0.0° |
| C8 | C9 | C10 | H23 | 179.7° | 179.9° |
| C9 | C8 | C7 | H27 | 179.0° | 179.8° |
| C7 | C6 | O23 | C24 | 0.8° | 5.3° |
| C7 | C6 | O23 | C5 | 179.7° | 180.0° |
| C7 | C6 | C5 | C10 | 0.1° | 0.2° |
| C7 | C6 | C5 | C4 | 179.9° | 180.0° |
| C6 | C7 | C8 | H28 | 179.0° | 180.0° |
| C24 | O23 | C6 | C5 | 179.5° | 174.8° |
| O23 | C24 | H24 | H25 | 120.0° | 120.0° |
| O23 | C24 | H24 | H26 | 120.0° | 120.0° |
| O23 | C24 | H25 | H26 | 120.0° | 120.0° |
| CL2 | C9 | C10 | C5 | 179.9° | 179.8° |
| CL2 | C9 | C10 | H23 | 0.1° | 0.3° |
| CL2 | C9 | C8 | H28 | 0.7° | 0.3° |
| C9 | C10 | C5 | C6 | 0.2° | 0.3° |
| C9 | C10 | C5 | H23 | 180.0° | 179.9° |
| C9 | C10 | C5 | C4 | 179.8° | 180.0° |
| C10 | C9 | C8 | H28 | 179.1° | 180.0° |
| O23 | C6 | C5 | C10 | 179.8° | 179.8° |
| O23 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | O23 | C24 | H24 | 180.0° | 180.0° |
| C6 | O23 | C24 | H25 | 60.0° | 60.1° |
| C6 | O23 | C24 | H26 | 60.0° | 60.0° |
| O23 | C6 | C7 | H27 | 0.8° | 0.0° |
| C6 | C5 | C10 | C4 | 179.9° | 179.8° |
| C6 | C5 | C4 | C3 | 66.6° | 91.3° |
| C6 | C5 | C4 | H21 | 54.6° | 28.7° |
| C6 | C5 | C4 | H22 | 172.2° | 148.7° |
| C6 | C5 | C10 | H23 | 179.8° | 179.7° |
| C5 | C6 | C7 | H27 | 179.5° | 180.0° |
| C10 | C5 | C4 | C3 | 113.5° | 88.5° |
| C10 | C5 | C4 | H21 | 125.4° | 151.6° |
| C10 | C5 | C4 | H22 | 7.7° | 31.5° |
| C5 | C4 | C3 | H21 | 121.2° | 119.9° |
| C5 | C4 | C3 | H22 | 121.1° | 120.1° |
| C5 | C4 | C3 | C11 | 48.2° | 97.9° |
| C5 | C4 | C3 | C1 | 171.5° | 142.6° |
| C5 | C4 | C3 | H20 | 68.8° | 22.2° |
| C5 | C4 | H21 | H22 | 116.4° | 120.1° |
| C4 | C5 | C10 | H23 | 0.2° | 0.1° |
| C4 | C3 | C11 | C1 | 126.2° | 120.0° |
| C4 | C3 | C11 | H20 | 116.8° | 120.2° |
| C4 | C3 | C1 | H20 | 119.7° | 120.4° |
| C4 | C3 | C11 | N12 | 167.5° | 37.2° |
| C4 | C3 | C1 | N16 | 168.1° | 48.4° |
| C4 | C3 | C1 | O2 | 12.5° | 131.2° |
| C4 | C3 | C11 | H18 | 71.1° | 157.2° |
| C4 | C3 | C11 | H19 | 46.1° | 82.6° |
| C3 | C4 | H21 | H22 | 116.4° | 120.0° |
| C63 | N62 | N14 | C68 | 134.2° | 180.0° |
| C63 | N62 | N14 | C13 | 115.1° | 124.7° |
| C63 | N62 | C68 | H12 | 180.0° | 174.9° |
| C63 | N62 | C68 | H13 | 60.0° | 54.8° |
| C63 | N62 | C68 | H14 | 60.0° | 65.1° |
| N62 | C63 | H15 | H16 | 120.0° | 120.0° |
| N62 | C63 | H15 | H17 | 120.0° | 120.1° |
| N62 | C63 | H16 | H17 | 120.0° | 120.0° |
| C11 | C3 | C1 | H20 | 117.2° | 119.7° |
| C3 | C11 | N12 | H18 | 121.4° | 120.1° |
| C3 | C11 | N12 | H19 | 121.4° | 119.8° |
| C3 | C11 | N12 | C13 | 12.7° | 59.4° |
| C11 | C3 | C1 | N16 | 68.7° | 71.5° |
| C11 | C3 | C1 | O2 | 110.7° | 108.9° |
| C3 | C11 | H18 | H19 | 115.6° | 120.2° |
| C11 | C3 | C4 | H21 | 169.4° | 22.0° |
| C11 | C3 | C4 | H22 | 73.0° | 142.0° |
| C3 | C11 | N12 | H30 | 167.3° | 120.6° |
| C1 | C3 | C11 | N12 | 66.4° | 82.8° |
| C3 | C1 | N16 | C15 | 2.5° | 2.7° |
| C3 | C1 | N16 | O2 | 179.4° | 179.7° |
| C3 | C1 | N16 | C17 | 179.7° | 177.3° |
| C1 | C3 | C11 | H18 | 55.0° | 37.2° |
| C1 | C3 | C11 | H19 | 172.2° | 157.4° |
| C1 | C3 | C4 | H21 | 67.4° | 97.5° |
| C1 | C3 | C4 | H22 | 50.3° | 22.5° |
| C11 | N12 | C13 | H30 | 180.0° | 180.0° |
| C11 | N12 | C13 | N14 | 179.6° | 121.2° |
| C11 | N12 | C13 | C15 | 0.6° | 58.8° |
| N12 | C11 | H18 | H19 | 115.6° | 120.1° |
| N12 | C11 | C3 | H20 | 50.7° | 157.5° |
| N12 | C13 | N14 | N62 | 1.8° | 5.8° |
| N12 | C13 | N14 | C15 | 179.0° | 180.0° |
| N12 | C13 | C15 | N16 | 42.8° | 78.3° |
| N12 | C13 | C15 | H9 | 163.6° | 161.9° |
| N12 | C13 | C15 | H10 | 78.0° | 41.6° |
| C13 | N12 | C11 | H18 | 108.7° | 60.6° |
| C13 | N12 | C11 | H19 | 134.1° | 179.3° |
| N62 | N14 | C13 | C15 | 179.2° | 174.3° |
| N14 | N62 | C68 | H12 | 47.2° | 5.2° |
| N14 | N62 | C68 | H13 | 167.1° | 125.2° |
| N14 | N62 | C68 | H14 | 72.8° | 114.9° |
| N14 | N62 | C63 | H15 | 180.0° | 90.0° |
| N14 | N62 | C63 | H16 | 60.0° | 150.0° |
| N14 | N62 | C63 | H17 | 60.0° | 30.0° |
| C68 | N62 | N14 | C13 | 110.7° | 55.2° |
| N62 | C68 | H12 | H13 | 120.0° | 120.0° |
| N62 | C68 | H12 | H14 | 120.0° | 120.0° |
| N62 | C68 | H13 | H14 | 120.0° | 119.9° |
| C68 | N62 | C63 | H15 | 43.5° | 89.9° |
| C68 | N62 | C63 | H16 | 163.6° | 30.0° |
| C68 | N62 | C63 | H17 | 76.5° | 150.0° |
| N14 | C13 | C15 | N16 | 136.2° | 101.7° |
| N14 | C13 | C15 | H9 | 15.4° | 18.1° |
| N14 | C13 | C15 | H10 | 103.0° | 138.4° |
| N14 | C13 | N12 | H30 | 0.5° | 58.7° |
| C13 | C15 | N16 | H9 | 120.8° | 119.8° |
| C13 | C15 | N16 | H10 | 120.8° | 120.0° |
| C13 | C15 | N16 | C1 | 63.3° | 68.1° |
| C13 | C15 | N16 | C17 | 118.8° | 111.9° |
| C13 | C15 | H9 | H10 | 117.5° | 120.4° |
| C15 | C13 | N12 | H30 | 179.4° | 121.2° |
| C15 | N16 | C1 | C17 | 177.9° | 180.0° |
| C15 | N16 | C1 | O2 | 178.1° | 176.9° |
| C15 | N16 | C17 | C19 | 101.6° | 93.9° |
| C15 | N16 | C17 | H7 | 138.7° | 146.1° |
| C15 | N16 | C17 | H8 | 18.1° | 26.1° |
| N16 | C15 | H9 | H10 | 117.6° | 120.2° |
| C1 | N16 | C17 | C19 | 76.4° | 86.1° |
| C1 | N16 | C17 | H7 | 43.3° | 33.9° |
| C1 | N16 | C17 | H8 | 163.8° | 153.9° |
| C1 | N16 | C15 | H9 | 175.9° | 172.0° |
| C1 | N16 | C15 | H10 | 57.4° | 51.9° |
| N16 | C1 | C3 | H20 | 48.4° | 168.8° |
| O2 | C1 | N16 | C17 | 0.2° | 3.1° |
| O2 | C1 | C3 | H20 | 132.2° | 10.9° |
| O33 | C31 | O32 | C26 | 179.7° | 180.0° |
| O33 | C31 | C26 | C25 | 1.3° | 0.3° |
| O33 | C31 | C26 | C27 | 179.8° | 180.0° |
| O33 | C31 | O32 | H1 | 0.0° | 0.0° |
| N16 | C17 | C19 | O30 | 35.9° | 5.5° |
| N16 | C17 | C19 | H7 | 119.7° | 120.0° |
| N16 | C17 | C19 | H8 | 119.7° | 120.0° |
| N16 | C17 | C19 | N20 | 143.4° | 174.6° |
| N16 | C17 | H7 | H8 | 120.7° | 120.0° |
| C17 | N16 | C15 | H9 | 2.0° | 8.0° |
| C17 | N16 | C15 | H10 | 120.4° | 128.1° |
| O30 | C19 | C17 | N20 | 179.3° | 179.9° |
| O30 | C19 | N20 | C21 | 1.4° | 7.3° |
| O30 | C19 | N20 | H6 | 178.6° | 172.6° |
| O30 | C19 | C17 | H7 | 155.6° | 125.4° |
| O30 | C19 | C17 | H8 | 83.9° | 114.5° |
| O32 | C31 | C26 | C25 | 179.0° | 179.7° |
| O32 | C31 | C26 | C27 | 0.1° | 0.0° |
| C31 | C26 | C25 | C27 | 178.9° | 179.6° |
| C31 | C26 | C25 | C21 | 179.5° | 180.0° |
| C31 | C26 | C27 | C28 | 179.7° | 179.9° |
| C26 | C31 | O32 | H1 | 179.7° | 179.9° |
| C31 | C26 | C25 | H2 | 0.5° | 0.2° |
| C31 | C26 | C27 | H3 | 0.3° | 0.1° |
| C17 | C19 | N20 | C21 | 179.4° | 172.6° |
| C17 | C19 | N20 | H6 | 0.6° | 7.4° |
| C19 | C17 | H7 | H8 | 120.8° | 120.0° |
| C19 | N20 | C21 | C25 | 0.2° | 147.2° |
| C19 | N20 | C21 | H6 | 180.0° | 179.9° |
| C19 | N20 | C21 | C29 | 179.9° | 32.8° |
| N20 | C19 | C17 | H7 | 23.7° | 54.6° |
| N20 | C19 | C17 | H8 | 96.9° | 65.4° |
| C26 | C25 | C21 | H2 | 180.0° | 179.9° |
| C26 | C25 | C21 | N20 | 179.7° | 180.0° |
| C26 | C25 | C21 | C29 | 0.0° | 0.1° |
| C25 | C26 | C27 | C28 | 0.8° | 0.3° |
| C25 | C26 | C27 | H3 | 179.2° | 179.7° |
| C21 | C25 | C26 | C27 | 0.6° | 0.3° |
| C25 | C21 | N20 | C29 | 179.7° | 179.9° |
| C25 | C21 | C29 | C28 | 0.4° | 0.2° |
| C25 | C21 | C29 | H5 | 179.7° | 180.0° |
| C25 | C21 | N20 | H6 | 179.8° | 32.9° |
| C26 | C27 | C28 | H3 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.5° | 0.0° |
| C27 | C26 | C25 | H2 | 179.4° | 179.8° |
| C26 | C27 | C28 | H4 | 179.5° | 180.0° |
| N20 | C21 | C29 | C28 | 179.9° | 179.7° |
| N20 | C21 | C25 | H2 | 0.3° | 0.1° |
| N20 | C21 | C29 | H5 | 0.0° | 0.1° |
| C21 | C29 | C28 | C27 | 0.1° | 0.2° |
| C21 | C29 | C28 | H5 | 180.0° | 179.8° |
| C29 | C21 | C25 | H2 | 180.0° | 180.0° |
| C21 | C29 | C28 | H4 | 179.9° | 179.7° |
| C29 | C21 | N20 | H6 | 0.1° | 147.2° |
| C27 | C28 | C29 | H4 | 180.0° | 180.0° |
| C27 | C28 | C29 | H5 | 179.9° | 180.0° |
| C29 | C28 | C27 | H3 | 179.5° | 180.0° |
| H3 | C27 | C28 | H4 | 0.5° | 0.0° |
| H4 | C28 | C29 | H5 | 0.1° | 0.1° |
| H12 | C68 | H13 | H14 | 120.0° | 120.0° |
| H15 | C63 | H16 | H17 | 120.0° | 120.0° |
| H18 | C11 | C3 | H20 | 172.1° | 82.6° |
| H18 | C11 | N12 | H30 | 71.3° | 119.4° |
| H19 | C11 | C3 | H20 | 70.7° | 37.6° |
| H19 | C11 | N12 | H30 | 45.9° | 0.7° |
| H20 | C3 | C4 | H21 | 52.4° | 142.2° |
| H20 | C3 | C4 | H22 | 170.1° | 97.8° |
| H24 | C24 | H25 | H26 | 120.0° | 120.0° |
| H27 | C7 | C8 | H28 | 1.0° | 0.0° |
