OKH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C2 | C17 | sing | 1.47Å | 1.47Å | |
| C3 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | N9 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | N7 | sing | 1.38Å | 1.40Å | Aromatic |
| N7 | C8 | sing | 1.37Å | 1.41Å | Aromatic |
| N7 | C11 | sing | 1.47Å | 1.43Å | |
| C8 | N9 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | C10 | sing | 1.48Å | 1.48Å | Aromatic |
| C10 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | O14 | doub | 1.21Å | 1.25Å | |
| C12 | N15 | sing | 1.35Å | 1.37Å | |
| C13 | C25 | sing | 1.53Å | 1.54Å | |
| C13 | C29 | sing | 1.53Å | 1.52Å | |
| N15 | C16 | sing | 1.46Å | 1.44Å | |
| C16 | C30 | sing | 1.53Å | 1.55Å | |
| C16 | C34 | sing | 1.53Å | 1.53Å | |
| C17 | O18 | sing | 1.35Å | 1.35Å | |
| C17 | O19 | doub | 1.22Å | 1.25Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | CL35 | sing | 1.74Å | 1.72Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.53Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| O18 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C4 | 120.7° | 120.5° |
| C1 | C2 | C3 | 121.8° | 120.1° |
| C1 | C2 | C17 | 121.7° | 120.0° |
| C2 | C1 | H1 | 119.7° | 119.8° |
| C1 | C4 | C5 | 119.0° | 120.1° |
| C4 | C1 | H1 | 119.6° | 119.7° |
| C1 | C4 | H4 | 120.5° | 120.0° |
| C3 | C2 | C17 | 116.5° | 119.9° |
| C2 | C3 | C6 | 117.9° | 119.6° |
| C2 | C3 | H3 | 121.0° | 120.2° |
| C2 | C17 | O18 | 116.6° | 120.0° |
| C2 | C17 | O19 | 129.1° | 120.0° |
| C3 | C6 | C5 | 121.0° | 120.0° |
| C3 | C6 | N7 | 132.5° | 133.9° |
| C6 | C3 | H3 | 121.0° | 120.2° |
| C4 | C5 | C6 | 119.5° | 119.7° |
| C4 | C5 | N9 | 132.1° | 133.1° |
| C5 | C4 | H4 | 120.5° | 120.0° |
| C6 | C5 | N9 | 108.4° | 107.2° |
| C5 | C6 | N7 | 106.4° | 106.1° |
| C5 | N9 | C8 | 107.1° | 109.8° |
| C6 | N7 | C8 | 106.7° | 107.1° |
| C6 | N7 | C11 | 127.4° | 126.4° |
| C8 | N7 | C11 | 125.9° | 126.5° |
| N7 | C8 | N9 | 110.9° | 109.8° |
| N7 | C8 | C10 | 121.1° | 125.2° |
| N7 | C11 | C12 | 111.0° | 109.5° |
| N7 | C11 | C13 | 116.4° | 109.5° |
| N7 | C11 | H11 | 102.2° | 109.4° |
| N9 | C8 | C10 | 127.1° | 125.1° |
| C8 | C10 | C20 | 120.3° | 120.2° |
| C8 | C10 | C24 | 120.4° | 120.1° |
| C20 | C10 | C24 | 119.1° | 119.7° |
| C10 | C20 | C21 | 120.5° | 119.9° |
| C10 | C20 | H20 | 119.8° | 120.1° |
| C10 | C24 | C23 | 120.5° | 119.9° |
| C10 | C24 | H24 | 119.8° | 120.0° |
| C12 | C11 | C13 | 104.9° | 109.5° |
| C11 | C12 | O14 | 120.7° | 119.9° |
| C11 | C12 | N15 | 116.5° | 120.0° |
| C12 | C11 | H11 | 114.2° | 109.5° |
| C11 | C13 | C25 | 108.4° | 109.5° |
| C11 | C13 | C29 | 108.5° | 109.5° |
| C13 | C11 | H11 | 108.5° | 109.5° |
| C11 | C13 | H13 | 112.7° | 109.5° |
| O14 | C12 | N15 | 122.7° | 120.1° |
| C12 | N15 | C16 | 119.6° | 120.0° |
| C12 | N15 | HN15 | 120.2° | 120.0° |
| C25 | C13 | C29 | 114.6° | 109.5° |
| C13 | C25 | C26 | 113.4° | 109.4° |
| C25 | C13 | H13 | 106.4° | 109.4° |
| C13 | C25 | H25 | 108.2° | 109.5° |
| C13 | C25 | H25A | 108.2° | 109.4° |
| C13 | C29 | C28 | 109.6° | 109.5° |
| C29 | C13 | H13 | 106.3° | 109.5° |
| C13 | C29 | H29 | 109.5° | 109.5° |
| C13 | C29 | H29A | 109.5° | 109.5° |
| N15 | C16 | C30 | 114.8° | 109.5° |
| N15 | C16 | C34 | 113.4° | 109.5° |
| C16 | N15 | HN15 | 120.2° | 120.0° |
| N15 | C16 | H16 | 103.4° | 109.5° |
| C30 | C16 | C34 | 111.7° | 109.5° |
| C16 | C30 | C31 | 107.9° | 109.5° |
| C30 | C16 | H16 | 105.5° | 109.5° |
| C16 | C30 | H30 | 110.0° | 109.5° |
| C16 | C30 | H30A | 110.0° | 109.5° |
| C16 | C34 | C33 | 108.5° | 109.5° |
| C34 | C16 | H16 | 107.1° | 109.4° |
| C16 | C34 | H34 | 109.8° | 109.5° |
| C16 | C34 | H34A | 109.8° | 109.4° |
| O18 | C17 | O19 | 114.3° | 120.0° |
| C17 | O18 | H18 | 109.5° | 117.0° |
| C20 | C21 | C22 | 120.0° | 120.1° |
| C21 | C20 | H20 | 119.8° | 120.1° |
| C20 | C21 | H21 | 120.0° | 119.9° |
| C21 | C22 | C23 | 119.6° | 120.3° |
| C21 | C22 | CL35 | 119.1° | 119.9° |
| C22 | C21 | H21 | 120.0° | 120.0° |
| C23 | C22 | CL35 | 121.3° | 119.9° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C22 | C23 | H23 | 119.8° | 120.0° |
| C24 | C23 | H23 | 119.9° | 119.9° |
| C23 | C24 | H24 | 119.8° | 120.1° |
| C25 | C26 | C27 | 110.7° | 109.5° |
| C26 | C25 | H25 | 108.2° | 109.5° |
| C26 | C25 | H25A | 108.1° | 109.4° |
| C25 | C26 | H26 | 109.1° | 109.4° |
| C25 | C26 | H26A | 109.1° | 109.5° |
| C26 | C27 | C28 | 110.3° | 109.5° |
| C27 | C26 | H26 | 109.1° | 109.5° |
| C27 | C26 | H26A | 109.1° | 109.5° |
| C26 | C27 | H27 | 109.2° | 109.5° |
| C26 | C27 | H27A | 109.2° | 109.5° |
| C27 | C28 | C29 | 112.4° | 109.4° |
| C28 | C27 | H27 | 109.2° | 109.4° |
| C28 | C27 | H27A | 109.2° | 109.4° |
| C27 | C28 | H28 | 108.5° | 109.4° |
| C27 | C28 | H28A | 108.5° | 109.5° |
| C29 | C28 | H28 | 108.5° | 109.5° |
| C29 | C28 | H28A | 108.5° | 109.5° |
| C28 | C29 | H29 | 109.4° | 109.4° |
| C28 | C29 | H29A | 109.4° | 109.4° |
| C30 | C31 | C32 | 111.6° | 109.4° |
| C31 | C30 | H30 | 110.0° | 109.5° |
| C31 | C30 | H30A | 110.0° | 109.5° |
| C30 | C31 | H31 | 108.8° | 109.5° |
| C30 | C31 | H31A | 108.7° | 109.5° |
| C31 | C32 | C33 | 112.4° | 109.5° |
| C32 | C31 | H31 | 108.8° | 109.5° |
| C32 | C31 | H31A | 108.8° | 109.5° |
| C31 | C32 | H32 | 108.5° | 109.5° |
| C31 | C32 | H32A | 108.5° | 109.5° |
| C32 | C33 | C34 | 113.7° | 109.4° |
| C33 | C32 | H32 | 108.5° | 109.5° |
| C33 | C32 | H32A | 108.5° | 109.4° |
| C32 | C33 | H33 | 108.1° | 109.5° |
| C32 | C33 | H33A | 108.1° | 109.5° |
| C34 | C33 | H33 | 108.1° | 109.5° |
| C34 | C33 | H33A | 108.1° | 109.5° |
| C33 | C34 | H34 | 109.8° | 109.5° |
| C33 | C34 | H34A | 109.8° | 109.5° |
| H25 | C25 | H25A | 110.8° | 109.5° |
| H26 | C26 | H26A | 109.9° | 109.4° |
| H27 | C27 | H27A | 109.7° | 109.5° |
| H28 | C28 | H28A | 110.4° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.4° |
| H30 | C30 | H30A | 108.9° | 109.4° |
| H31 | C31 | H31A | 110.2° | 109.5° |
| H32 | C32 | H32A | 110.4° | 109.5° |
| H33 | C33 | H33A | 110.8° | 109.4° |
| H34 | C34 | H34A | 109.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C4 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | C17 | 178.4° | 179.9° |
| C1 | C2 | C3 | C6 | 3.7° | 0.0° |
| C2 | C1 | C4 | C5 | 0.6° | 0.1° |
| C1 | C2 | C17 | O18 | 44.8° | 0.1° |
| C1 | C2 | C17 | O19 | 134.0° | 180.0° |
| C1 | C2 | C3 | H3 | 176.3° | 179.9° |
| C2 | C1 | C4 | H4 | 179.4° | 180.0° |
| C4 | C1 | C2 | C3 | 2.0° | 0.1° |
| C4 | C1 | C2 | C17 | 176.4° | 180.0° |
| C1 | C4 | C5 | H4 | 180.0° | 180.0° |
| C1 | C4 | C5 | C6 | 1.0° | 0.1° |
| C1 | C4 | C5 | N9 | 178.4° | 180.0° |
| C2 | C3 | C6 | H3 | 180.0° | 179.9° |
| C2 | C3 | C6 | C5 | 4.1° | 0.0° |
| C2 | C3 | C6 | N7 | 179.3° | 180.0° |
| C3 | C2 | C17 | O18 | 136.7° | 180.0° |
| C3 | C2 | C17 | O19 | 44.4° | 0.0° |
| C3 | C2 | C1 | H1 | 178.0° | 179.7° |
| C17 | C2 | C3 | C6 | 174.7° | 180.0° |
| C2 | C17 | O18 | O19 | 179.0° | 180.0° |
| C17 | C2 | C1 | H1 | 3.6° | 0.4° |
| C17 | C2 | C3 | H3 | 5.3° | 0.0° |
| C2 | C17 | O18 | H18 | 179.0° | 180.0° |
| C3 | C6 | C5 | C4 | 2.8° | 0.0° |
| C3 | C6 | C5 | N7 | 176.4° | 180.0° |
| C3 | C6 | C5 | N9 | 176.7° | 179.9° |
| C3 | C6 | N7 | C8 | 179.7° | 179.9° |
| C3 | C6 | N7 | C11 | 2.6° | 0.0° |
| C4 | C5 | C6 | N9 | 179.5° | 179.9° |
| C4 | C5 | C6 | N7 | 179.2° | 180.0° |
| C4 | C5 | N9 | C8 | 176.4° | 179.9° |
| C5 | C4 | C1 | H1 | 179.4° | 179.7° |
| C5 | C6 | N7 | C8 | 4.5° | 0.0° |
| C5 | C6 | N7 | C11 | 173.2° | 180.0° |
| C6 | C5 | N9 | C8 | 4.2° | 0.2° |
| C5 | C6 | C3 | H3 | 175.9° | 179.9° |
| C6 | C5 | C4 | H4 | 179.0° | 180.0° |
| N9 | C5 | C6 | N7 | 0.3° | 0.1° |
| C5 | N9 | C8 | N7 | 7.2° | 0.2° |
| C5 | N9 | C8 | C10 | 176.4° | 180.0° |
| N9 | C5 | C4 | H4 | 1.7° | 0.1° |
| C6 | N7 | C8 | C11 | 177.7° | 180.0° |
| C6 | N7 | C8 | N9 | 7.4° | 0.1° |
| C6 | N7 | C8 | C10 | 177.4° | 180.0° |
| C6 | N7 | C11 | C12 | 74.0° | 114.4° |
| C6 | N7 | C11 | C13 | 45.9° | 5.6° |
| N7 | C6 | C3 | H3 | 0.7° | 0.0° |
| C6 | N7 | C11 | H11 | 163.9° | 125.6° |
| N7 | C8 | N9 | C10 | 169.2° | 179.8° |
| N7 | C8 | C10 | C20 | 118.3° | 160.3° |
| N7 | C8 | C10 | C24 | 56.1° | 20.0° |
| C8 | N7 | C11 | C12 | 108.7° | 65.7° |
| C8 | N7 | C11 | C13 | 131.4° | 174.3° |
| C8 | N7 | C11 | H11 | 13.4° | 54.3° |
| C11 | N7 | C8 | N9 | 170.3° | 179.9° |
| C11 | N7 | C8 | C10 | 0.4° | 0.1° |
| N7 | C11 | C12 | C13 | 126.5° | 120.0° |
| N7 | C11 | C12 | H11 | 114.8° | 120.0° |
| N7 | C11 | C13 | H11 | 114.5° | 120.0° |
| N7 | C11 | C12 | O14 | 60.4° | 26.1° |
| N7 | C11 | C12 | N15 | 123.1° | 153.8° |
| N7 | C11 | C13 | C25 | 166.4° | 173.4° |
| N7 | C11 | C13 | C29 | 68.5° | 66.6° |
| N7 | C11 | C13 | H13 | 48.9° | 53.4° |
| N9 | C8 | C10 | C20 | 49.9° | 19.5° |
| N9 | C8 | C10 | C24 | 135.7° | 160.2° |
| C8 | C10 | C20 | C24 | 174.4° | 179.7° |
| C8 | C10 | C20 | C21 | 177.8° | 180.0° |
| C8 | C10 | C24 | C23 | 177.1° | 179.7° |
| C8 | C10 | C20 | H20 | 2.1° | 0.0° |
| C8 | C10 | C24 | H24 | 2.9° | 0.0° |
| C10 | C20 | C21 | H20 | 180.0° | 180.0° |
| C10 | C20 | C21 | C22 | 3.0° | 0.0° |
| C20 | C10 | C24 | C23 | 2.7° | 0.6° |
| C10 | C20 | C21 | H21 | 177.0° | 180.0° |
| C20 | C10 | C24 | H24 | 177.3° | 179.7° |
| C24 | C10 | C20 | C21 | 3.4° | 0.2° |
| C10 | C24 | C23 | C22 | 1.5° | 0.6° |
| C10 | C24 | C23 | H24 | 180.0° | 179.7° |
| C24 | C10 | C20 | H20 | 176.6° | 179.7° |
| C10 | C24 | C23 | H23 | 178.5° | 179.7° |
| C12 | C11 | C13 | H11 | 122.5° | 120.0° |
| C11 | C12 | O14 | N15 | 176.3° | 180.0° |
| C12 | C11 | C13 | C25 | 43.3° | 53.3° |
| C12 | C11 | C13 | C29 | 168.4° | 173.4° |
| C11 | C12 | N15 | C16 | 169.9° | 175.1° |
| C12 | C11 | C13 | H13 | 74.2° | 66.6° |
| C11 | C12 | N15 | HN15 | 10.1° | 4.9° |
| C13 | C11 | C12 | O14 | 66.2° | 93.9° |
| C13 | C11 | C12 | N15 | 110.3° | 86.1° |
| C11 | C13 | C25 | C29 | 121.4° | 120.0° |
| C11 | C13 | C25 | H13 | 121.5° | 120.0° |
| C11 | C13 | C29 | H13 | 121.5° | 120.0° |
| C11 | C13 | C25 | C26 | 168.9° | 180.0° |
| C11 | C13 | C29 | C28 | 169.1° | 180.0° |
| C11 | C13 | C25 | H25 | 71.1° | 60.0° |
| C11 | C13 | C25 | H25A | 48.9° | 60.1° |
| C11 | C13 | C29 | H29 | 49.1° | 60.0° |
| C11 | C13 | C29 | H29A | 70.9° | 60.0° |
| O14 | C12 | N15 | C16 | 6.5° | 4.9° |
| O14 | C12 | C11 | H11 | 175.2° | 146.1° |
| O14 | C12 | N15 | HN15 | 173.5° | 175.1° |
| C12 | N15 | C16 | HN15 | 180.0° | 180.0° |
| C12 | N15 | C16 | C30 | 89.1° | 155.0° |
| C12 | N15 | C16 | C34 | 140.8° | 85.0° |
| N15 | C12 | C11 | H11 | 8.3° | 33.9° |
| C12 | N15 | C16 | H16 | 25.2° | 35.0° |
| C25 | C13 | C29 | H13 | 117.2° | 120.0° |
| C13 | C25 | C26 | H25 | 120.0° | 120.0° |
| C13 | C25 | C26 | H25A | 120.0° | 119.9° |
| C13 | C25 | C26 | C27 | 51.2° | 60.0° |
| C25 | C13 | C29 | C28 | 47.7° | 60.0° |
| C25 | C13 | C11 | H11 | 79.1° | 66.7° |
| C13 | C25 | H25 | H25A | 118.4° | 120.0° |
| C13 | C25 | C26 | H26 | 68.8° | 60.1° |
| C13 | C25 | C26 | H26A | 171.2° | 180.0° |
| C25 | C13 | C29 | H29 | 72.3° | 60.0° |
| C25 | C13 | C29 | H29A | 167.7° | 180.0° |
| C29 | C13 | C25 | C26 | 47.5° | 60.0° |
| C13 | C29 | C28 | C27 | 54.7° | 60.0° |
| C13 | C29 | C28 | H29 | 120.0° | 120.1° |
| C13 | C29 | C28 | H29A | 120.0° | 120.0° |
| C29 | C13 | C11 | H11 | 45.9° | 53.4° |
| C29 | C13 | C25 | H25 | 167.5° | 180.0° |
| C29 | C13 | C25 | H25A | 72.5° | 60.0° |
| C13 | C29 | C28 | H28 | 65.3° | 60.0° |
| C13 | C29 | C28 | H28A | 174.7° | 180.0° |
| C13 | C29 | H29 | H29A | 120.0° | 120.1° |
| N15 | C16 | C30 | C34 | 130.9° | 120.0° |
| N15 | C16 | C30 | H16 | 113.1° | 120.0° |
| N15 | C16 | C34 | H16 | 113.4° | 120.0° |
| N15 | C16 | C30 | C31 | 167.3° | 180.0° |
| N15 | C16 | C34 | C33 | 169.7° | 180.0° |
| N15 | C16 | C30 | H30 | 72.7° | 60.0° |
| N15 | C16 | C30 | H30A | 47.3° | 60.0° |
| N15 | C16 | C34 | H34 | 49.7° | 60.0° |
| N15 | C16 | C34 | H34A | 70.3° | 60.0° |
| C30 | C16 | C34 | H16 | 115.0° | 120.0° |
| C16 | C30 | C31 | H30 | 120.0° | 120.0° |
| C16 | C30 | C31 | H30A | 120.0° | 120.1° |
| C16 | C30 | C31 | C32 | 57.8° | 60.0° |
| C30 | C16 | C34 | C33 | 58.6° | 60.0° |
| C30 | C16 | N15 | HN15 | 90.9° | 25.0° |
| C16 | C30 | H30 | H30A | 120.6° | 120.0° |
| C16 | C30 | C31 | H31 | 177.9° | 180.0° |
| C16 | C30 | C31 | H31A | 62.2° | 60.0° |
| C30 | C16 | C34 | H34 | 178.6° | 180.0° |
| C30 | C16 | C34 | H34A | 61.3° | 60.0° |
| C34 | C16 | C30 | C31 | 61.8° | 60.0° |
| C16 | C34 | C33 | C32 | 52.7° | 60.0° |
| C16 | C34 | C33 | H34 | 120.0° | 120.0° |
| C16 | C34 | C33 | H34A | 120.0° | 120.0° |
| C34 | C16 | N15 | HN15 | 39.2° | 95.0° |
| C34 | C16 | C30 | H30 | 58.2° | 60.0° |
| C34 | C16 | C30 | H30A | 178.2° | 180.0° |
| C16 | C34 | C33 | H33 | 172.8° | 180.0° |
| C16 | C34 | C33 | H33A | 67.2° | 60.0° |
| C16 | C34 | H34 | H34A | 120.4° | 120.0° |
| O19 | C17 | O18 | H18 | 0.0° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 1.8° | 0.0° |
| C20 | C21 | C22 | CL35 | 178.4° | 180.0° |
| C21 | C22 | C23 | CL35 | 179.8° | 179.9° |
| C21 | C22 | C23 | C24 | 1.1° | 0.4° |
| C22 | C21 | C20 | H20 | 177.0° | 180.0° |
| C21 | C22 | C23 | H23 | 178.9° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C23 | C22 | C21 | H21 | 178.2° | 180.0° |
| C22 | C23 | C24 | H24 | 178.5° | 179.7° |
| CL35 | C22 | C23 | C24 | 179.1° | 179.7° |
| CL35 | C22 | C21 | H21 | 1.6° | 0.0° |
| CL35 | C22 | C23 | H23 | 0.9° | 0.0° |
| C25 | C26 | C27 | H26 | 120.0° | 120.0° |
| C25 | C26 | C27 | H26A | 120.0° | 120.0° |
| C25 | C26 | C27 | C28 | 57.7° | 60.0° |
| C26 | C25 | C13 | H13 | 69.7° | 60.0° |
| C26 | C25 | H25 | H25A | 118.4° | 120.0° |
| C25 | C26 | H26 | H26A | 119.5° | 119.9° |
| C25 | C26 | C27 | H27 | 177.7° | 180.0° |
| C25 | C26 | C27 | H27A | 62.3° | 60.0° |
| C26 | C27 | C28 | H27 | 120.0° | 120.0° |
| C26 | C27 | C28 | H27A | 120.0° | 120.0° |
| C26 | C27 | C28 | C29 | 61.0° | 60.0° |
| C27 | C26 | C25 | H25 | 171.2° | 180.0° |
| C27 | C26 | C25 | H25A | 68.8° | 59.9° |
| C27 | C26 | H26 | H26A | 119.5° | 120.0° |
| C26 | C27 | H27 | H27A | 119.6° | 120.0° |
| C26 | C27 | C28 | H28 | 59.0° | 60.0° |
| C26 | C27 | C28 | H28A | 179.0° | 180.0° |
| C27 | C28 | C29 | H28 | 120.0° | 120.0° |
| C27 | C28 | C29 | H28A | 120.0° | 120.0° |
| C28 | C27 | C26 | H26 | 62.3° | 60.0° |
| C28 | C27 | C26 | H26A | 177.7° | 180.0° |
| C28 | C27 | H27 | H27A | 119.7° | 120.0° |
| C27 | C28 | H28 | H28A | 118.8° | 120.0° |
| C27 | C28 | C29 | H29 | 65.3° | 60.1° |
| C27 | C28 | C29 | H29A | 174.7° | 180.0° |
| C28 | C29 | C13 | H13 | 69.5° | 60.0° |
| C29 | C28 | C27 | H27 | 179.0° | 180.0° |
| C29 | C28 | C27 | H27A | 59.0° | 60.0° |
| C29 | C28 | H28 | H28A | 118.8° | 120.0° |
| C28 | C29 | H29 | H29A | 119.9° | 119.9° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 53.5° | 60.0° |
| C31 | C30 | C16 | H16 | 54.2° | 60.0° |
| C31 | C30 | H30 | H30A | 120.7° | 120.0° |
| C30 | C31 | H31 | H31A | 119.1° | 120.0° |
| C30 | C31 | C32 | H32 | 66.5° | 60.0° |
| C30 | C31 | C32 | H32A | 173.5° | 179.9° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 51.1° | 60.0° |
| C32 | C31 | C30 | H30 | 62.1° | 60.0° |
| C32 | C31 | C30 | H30A | 177.8° | 180.0° |
| C32 | C31 | H31 | H31A | 119.2° | 120.0° |
| C31 | C32 | H32 | H32A | 118.8° | 120.0° |
| C31 | C32 | C33 | H33 | 171.1° | 180.0° |
| C31 | C32 | C33 | H33A | 68.9° | 60.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 120.0° |
| C33 | C32 | C31 | H31 | 173.6° | 180.0° |
| C33 | C32 | C31 | H31A | 66.4° | 60.0° |
| C33 | C32 | H32 | H32A | 118.8° | 119.9° |
| C32 | C33 | H33 | H33A | 118.3° | 120.0° |
| C32 | C33 | C34 | H34 | 172.7° | 180.0° |
| C32 | C33 | C34 | H34A | 67.2° | 60.0° |
| C33 | C34 | C16 | H16 | 56.3° | 60.0° |
| C34 | C33 | C32 | H32 | 68.9° | 60.1° |
| C34 | C33 | C32 | H32A | 171.1° | 180.0° |
| C34 | C33 | H33 | H33A | 118.3° | 120.0° |
| C33 | C34 | H34 | H34A | 120.4° | 120.0° |
| H1 | C1 | C4 | H4 | 0.6° | 0.3° |
| H11 | C11 | C13 | H13 | 163.4° | 173.4° |
| H13 | C13 | C25 | H25 | 50.3° | 60.0° |
| H13 | C13 | C25 | H25A | 170.4° | 180.0° |
| H13 | C13 | C29 | H29 | 170.6° | 180.0° |
| H13 | C13 | C29 | H29A | 50.6° | 60.0° |
| HN15 | N15 | C16 | H16 | 154.8° | 145.0° |
| H16 | C16 | C30 | H30 | 174.2° | 180.0° |
| H16 | C16 | C30 | H30A | 65.8° | 60.0° |
| H16 | C16 | C34 | H34 | 63.6° | 60.0° |
| H16 | C16 | C34 | H34A | 176.3° | 180.0° |
| H20 | C20 | C21 | H21 | 3.0° | 0.0° |
| H23 | C23 | C24 | H24 | 1.5° | 0.0° |
| H25 | C25 | C26 | H26 | 51.2° | 59.9° |
| H25 | C25 | C26 | H26A | 68.8° | 60.0° |
| H25A | C25 | C26 | H26 | 171.3° | 180.0° |
| H25A | C25 | C26 | H26A | 51.2° | 60.1° |
| H26 | C26 | C27 | H27 | 57.7° | 60.0° |
| H26 | C26 | C27 | H27A | 177.7° | 180.0° |
| H26A | C26 | C27 | H27 | 62.3° | 60.0° |
| H26A | C26 | C27 | H27A | 57.7° | 60.0° |
| H27 | C27 | C28 | H28 | 61.0° | 60.0° |
| H27 | C27 | C28 | H28A | 59.0° | 60.0° |
| H27A | C27 | C28 | H28 | 179.0° | 180.0° |
| H27A | C27 | C28 | H28A | 61.0° | 60.0° |
| H28 | C28 | C29 | H29 | 174.7° | 180.0° |
| H28 | C28 | C29 | H29A | 54.7° | 60.1° |
| H28A | C28 | C29 | H29 | 54.7° | 59.9° |
| H28A | C28 | C29 | H29A | 65.3° | 60.0° |
| H30 | C30 | C31 | H31 | 57.9° | 60.0° |
| H30 | C30 | C31 | H31A | 177.9° | 180.0° |
| H30A | C30 | C31 | H31 | 62.1° | 59.9° |
| H30A | C30 | C31 | H31A | 57.8° | 60.1° |
| H31 | C31 | C32 | H32 | 53.5° | 60.0° |
| H31 | C31 | C32 | H32A | 66.4° | 60.0° |
| H31A | C31 | C32 | H32 | 173.6° | 180.0° |
| H31A | C31 | C32 | H32A | 53.6° | 60.0° |
| H32 | C32 | C33 | H33 | 51.1° | 60.0° |
| H32 | C32 | C33 | H33A | 171.1° | 180.0° |
| H32A | C32 | C33 | H33 | 68.8° | 60.0° |
| H32A | C32 | C33 | H33A | 51.2° | 60.0° |
| H33 | C33 | C34 | H34 | 67.3° | 60.0° |
| H33 | C33 | C34 | H34A | 52.8° | 60.0° |
| H33A | C33 | C34 | H34 | 52.7° | 60.0° |
| H33A | C33 | C34 | H34A | 172.8° | 180.0° |
