82O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | O27 | doub | 1.21Å | 1.23Å | |
| C26 | N24 | sing | 1.35Å | 1.36Å | |
| C25 | N24 | sing | 1.47Å | 1.47Å | |
| C25 | C21 | sing | 1.54Å | 1.52Å | |
| N24 | C23 | sing | 1.47Å | 1.45Å | |
| C21 | C9 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C23 | C22 | sing | 1.55Å | 1.52Å | |
| N10 | C9 | sing | 1.35Å | 1.37Å | |
| N10 | C13 | sing | 1.40Å | 1.38Å | |
| C9 | O11 | doub | 1.21Å | 1.23Å | |
| C22 | C3 | sing | 1.51Å | 1.49Å | |
| C13 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| N2 | C3 | doub | 1.31Å | 1.30Å | Aromatic |
| N2 | N4 | sing | 1.29Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| N4 | C5 | doub | 1.31Å | 1.34Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.51Å | 1.48Å | |
| N1 | C5 | sing | 1.35Å | 1.38Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.43Å | |
| C5 | C12 | sing | 1.51Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.49Å | |
| C29 | C12 | sing | 1.54Å | 1.55Å | |
| C29 | C30 | sing | 1.54Å | 1.54Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C12 | C31 | sing | 1.54Å | 1.55Å | |
| C32 | C30 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C31 | C30 | sing | 1.54Å | 1.54Å | |
| C34 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| N10 | H15 | sing | 0.97Å | 1.00Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C34 | H38 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C26 | O27 | 122.9° | 120.0° |
| C28 | C26 | N24 | 116.9° | 120.0° |
| C26 | C28 | H9 | 109.5° | 109.4° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| C26 | C28 | H11 | 109.5° | 109.5° |
| O27 | C26 | N24 | 120.2° | 120.0° |
| C26 | N24 | C25 | 120.5° | 125.7° |
| C26 | N24 | C23 | 125.2° | 125.6° |
| N24 | C25 | C21 | 102.7° | 107.3° |
| C25 | N24 | C23 | 114.2° | 108.7° |
| N24 | C25 | H12 | 111.1° | 109.9° |
| N24 | C25 | H13 | 111.1° | 109.9° |
| C25 | C21 | C9 | 116.3° | 110.7° |
| C25 | C21 | C22 | 100.3° | 102.9° |
| C21 | C25 | H12 | 111.1° | 109.9° |
| C21 | C25 | H13 | 111.2° | 109.8° |
| C25 | C21 | H14 | 108.3° | 110.7° |
| N24 | C23 | C22 | 96.8° | 104.7° |
| N24 | C23 | H23 | 112.5° | 110.4° |
| N24 | C23 | H24 | 112.5° | 110.4° |
| C9 | C21 | C22 | 115.1° | 110.7° |
| C21 | C9 | N10 | 116.2° | 120.0° |
| C21 | C9 | O11 | 120.7° | 120.0° |
| C9 | C21 | H14 | 108.2° | 110.7° |
| C21 | C22 | C23 | 104.4° | 101.5° |
| C21 | C22 | C3 | 111.3° | 111.0° |
| C22 | C21 | H14 | 108.3° | 110.9° |
| C21 | C22 | H25 | 106.8° | 111.0° |
| C23 | C22 | C3 | 119.9° | 110.9° |
| C22 | C23 | H23 | 112.5° | 110.5° |
| C22 | C23 | H24 | 112.5° | 110.3° |
| C23 | C22 | H25 | 106.7° | 111.2° |
| C9 | N10 | C13 | 126.0° | 120.0° |
| N10 | C9 | O11 | 123.1° | 120.1° |
| C9 | N10 | H15 | 117.0° | 120.0° |
| N10 | C13 | C14 | 120.8° | 120.0° |
| N10 | C13 | C18 | 118.6° | 120.1° |
| C13 | N10 | H15 | 117.0° | 120.0° |
| C22 | C3 | N2 | 119.8° | 126.4° |
| C22 | C3 | N1 | 132.4° | 126.4° |
| C3 | C22 | H25 | 107.1° | 110.9° |
| C14 | C13 | C18 | 120.7° | 119.9° |
| C13 | C14 | C15 | 120.3° | 119.9° |
| C13 | C14 | H7 | 119.9° | 120.0° |
| C13 | C18 | C19 | 124.6° | 120.0° |
| C13 | C18 | C17 | 118.5° | 119.9° |
| C3 | N2 | N4 | 109.4° | 109.7° |
| N2 | C3 | N1 | 107.8° | 107.3° |
| N2 | N4 | C5 | 110.1° | 109.7° |
| C14 | C15 | C16 | 119.8° | 120.1° |
| C15 | C14 | H7 | 119.9° | 120.1° |
| C14 | C15 | H8 | 120.1° | 119.9° |
| C19 | C18 | C17 | 116.8° | 120.1° |
| C18 | C19 | H16 | 109.5° | 109.5° |
| C18 | C19 | H17 | 109.5° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C17 | C16 | 121.2° | 120.1° |
| C18 | C17 | H19 | 119.4° | 120.0° |
| C3 | N1 | C5 | 105.9° | 106.1° |
| C3 | N1 | C6 | 126.3° | 127.0° |
| C15 | C16 | C17 | 119.5° | 120.1° |
| C15 | C16 | C20 | 122.2° | 119.9° |
| C16 | C15 | H8 | 120.1° | 119.9° |
| N4 | C5 | N1 | 106.8° | 107.3° |
| N4 | C5 | C12 | 123.6° | 126.3° |
| C17 | C16 | C20 | 118.3° | 120.0° |
| C16 | C17 | H19 | 119.4° | 119.9° |
| C16 | C20 | H20 | 109.5° | 109.4° |
| C16 | C20 | H21 | 109.5° | 109.5° |
| C16 | C20 | H22 | 109.5° | 109.5° |
| C5 | N1 | C6 | 127.8° | 126.9° |
| N1 | C5 | C12 | 129.6° | 126.4° |
| N1 | C6 | C7 | 117.3° | 117.5° |
| N1 | C6 | C8 | 121.2° | 117.5° |
| N1 | C6 | H1 | 116.2° | 115.6° |
| C5 | C12 | C29 | 116.1° | 113.6° |
| C5 | C12 | C31 | 112.2° | 113.6° |
| C5 | C12 | H6 | 113.4° | 112.8° |
| C7 | C6 | C8 | 60.7° | 60.0° |
| C6 | C7 | C8 | 59.2° | 60.0° |
| C7 | C6 | H1 | 114.8° | 117.5° |
| C6 | C7 | H2 | 120.1° | 117.5° |
| C6 | C7 | H3 | 120.1° | 117.5° |
| C6 | C8 | C7 | 60.1° | 60.0° |
| C8 | C6 | H1 | 115.1° | 117.5° |
| C6 | C8 | H4 | 120.0° | 117.5° |
| C6 | C8 | H5 | 120.0° | 117.5° |
| C12 | C29 | C30 | 90.7° | 87.1° |
| C29 | C12 | C31 | 86.0° | 87.1° |
| C29 | C12 | H6 | 113.2° | 113.7° |
| C12 | C29 | H29 | 113.9° | 113.6° |
| C12 | C29 | H30 | 113.9° | 113.6° |
| C29 | C30 | C32 | 114.7° | 113.7° |
| C29 | C30 | C31 | 86.8° | 87.1° |
| C29 | C30 | H28 | 113.4° | 113.6° |
| C30 | C29 | H29 | 113.9° | 113.7° |
| C30 | C29 | H30 | 113.9° | 113.6° |
| C8 | C7 | H2 | 120.1° | 117.5° |
| C8 | C7 | H3 | 120.1° | 117.5° |
| C7 | C8 | H4 | 120.0° | 117.5° |
| C7 | C8 | H5 | 120.0° | 117.5° |
| C12 | C31 | C30 | 90.2° | 87.0° |
| C31 | C12 | H6 | 113.1° | 113.6° |
| C12 | C31 | H26 | 114.0° | 113.6° |
| C12 | C31 | H27 | 114.0° | 113.6° |
| C30 | C32 | C33 | 115.2° | 109.4° |
| C32 | C30 | C31 | 112.1° | 113.6° |
| C32 | C30 | H28 | 113.7° | 112.8° |
| C30 | C32 | H31 | 108.0° | 109.5° |
| C30 | C32 | H32 | 108.0° | 109.5° |
| C32 | C33 | C34 | 111.6° | 109.5° |
| C32 | C33 | C35 | 107.3° | 109.5° |
| C33 | C32 | H31 | 108.0° | 109.5° |
| C33 | C32 | H32 | 108.0° | 109.5° |
| C32 | C33 | H33 | 110.4° | 109.5° |
| C30 | C31 | H26 | 114.1° | 113.6° |
| C30 | C31 | H27 | 114.0° | 113.6° |
| C31 | C30 | H28 | 113.3° | 113.6° |
| C34 | C33 | C35 | 107.2° | 109.5° |
| C34 | C33 | H33 | 110.2° | 109.5° |
| C33 | C34 | H37 | 109.5° | 109.5° |
| C33 | C34 | H38 | 109.5° | 109.5° |
| C33 | C34 | H39 | 109.5° | 109.5° |
| C35 | C33 | H33 | 110.0° | 109.5° |
| C33 | C35 | H34 | 109.5° | 109.5° |
| C33 | C35 | H35 | 109.5° | 109.5° |
| C33 | C35 | H36 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.5° | 115.5° |
| H4 | C8 | H5 | 109.5° | 115.6° |
| H9 | C28 | H10 | 109.5° | 109.4° |
| H9 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 110.0° |
| H16 | C19 | H17 | 109.5° | 109.4° |
| H16 | C19 | H18 | 109.4° | 109.4° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H20 | C20 | H22 | 109.4° | 109.5° |
| H21 | C20 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 110.5° |
| H26 | C31 | H27 | 109.5° | 113.0° |
| H29 | C29 | H30 | 109.5° | 112.9° |
| H31 | C32 | H32 | 109.5° | 109.5° |
| H34 | C35 | H35 | 109.4° | 109.5° |
| H34 | C35 | H36 | 109.5° | 109.4° |
| H35 | C35 | H36 | 109.5° | 109.4° |
| H37 | C34 | H38 | 109.5° | 109.4° |
| H37 | C34 | H39 | 109.5° | 109.5° |
| H38 | C34 | H39 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C26 | O27 | N24 | 179.2° | 179.9° |
| C28 | C26 | N24 | C25 | 5.2° | 0.2° |
| C28 | C26 | N24 | C23 | 176.9° | 180.0° |
| C26 | C28 | H9 | H10 | 120.0° | 120.0° |
| C26 | C28 | H9 | H11 | 120.0° | 120.0° |
| C26 | C28 | H10 | H11 | 120.0° | 120.0° |
| O27 | C26 | N24 | C25 | 174.0° | 179.7° |
| O27 | C26 | N24 | C23 | 3.9° | 0.0° |
| O27 | C26 | C28 | H9 | 0.0° | 0.0° |
| O27 | C26 | C28 | H10 | 120.0° | 119.9° |
| O27 | C26 | C28 | H11 | 120.0° | 120.0° |
| C26 | N24 | C25 | C23 | 178.1° | 179.8° |
| C26 | N24 | C25 | C21 | 178.3° | 179.0° |
| C26 | N24 | C23 | C22 | 151.5° | 155.8° |
| N24 | C26 | C28 | H9 | 179.2° | 180.0° |
| N24 | C26 | C28 | H10 | 60.8° | 60.0° |
| N24 | C26 | C28 | H11 | 59.2° | 60.0° |
| C26 | N24 | C25 | H12 | 59.4° | 59.5° |
| C26 | N24 | C25 | H13 | 62.7° | 61.7° |
| C26 | N24 | C23 | H23 | 90.6° | 85.3° |
| C26 | N24 | C23 | H24 | 33.6° | 37.0° |
| N24 | C25 | C21 | H12 | 118.9° | 119.5° |
| N24 | C25 | C21 | H13 | 118.9° | 119.4° |
| N24 | C25 | C21 | C9 | 151.9° | 140.6° |
| N24 | C25 | C21 | C22 | 27.1° | 22.2° |
| C25 | N24 | C23 | C22 | 26.5° | 24.5° |
| N24 | C25 | H12 | H13 | 123.1° | 121.1° |
| N24 | C25 | C21 | H14 | 86.1° | 96.3° |
| C25 | N24 | C23 | H23 | 91.4° | 94.5° |
| C25 | N24 | C23 | H24 | 144.4° | 143.2° |
| C21 | C25 | N24 | C23 | 0.2° | 1.3° |
| C25 | C21 | C9 | C22 | 116.8° | 113.4° |
| C25 | C21 | C9 | H14 | 122.0° | 123.2° |
| C25 | C21 | C22 | H14 | 113.3° | 118.4° |
| C25 | C21 | C22 | C23 | 45.2° | 35.7° |
| C25 | C21 | C9 | N10 | 130.4° | 66.6° |
| C25 | C21 | C9 | O11 | 51.2° | 113.4° |
| C25 | C21 | C22 | C3 | 175.9° | 153.6° |
| C21 | C25 | H12 | H13 | 123.1° | 121.0° |
| C25 | C21 | C22 | H25 | 67.6° | 82.6° |
| N24 | C23 | C22 | C21 | 43.3° | 37.4° |
| N24 | C23 | C22 | H23 | 117.9° | 118.8° |
| N24 | C23 | C22 | H24 | 117.9° | 118.7° |
| N24 | C23 | C22 | C3 | 168.8° | 155.3° |
| C23 | N24 | C25 | H12 | 118.7° | 120.7° |
| C23 | N24 | C25 | H13 | 119.1° | 118.1° |
| N24 | C23 | H23 | H24 | 125.9° | 122.3° |
| N24 | C23 | C22 | H25 | 69.5° | 80.8° |
| C9 | C21 | C22 | H14 | 121.2° | 123.3° |
| C9 | C21 | C22 | C23 | 170.8° | 154.0° |
| C21 | C9 | N10 | O11 | 178.3° | 180.0° |
| C21 | C9 | N10 | C13 | 172.7° | 174.3° |
| C9 | C21 | C22 | C3 | 58.5° | 88.1° |
| C9 | C21 | C25 | H12 | 33.0° | 21.1° |
| C9 | C21 | C25 | H13 | 89.2° | 100.1° |
| C21 | C9 | N10 | H15 | 7.3° | 5.7° |
| C9 | C21 | C22 | H25 | 58.0° | 35.7° |
| C21 | C22 | C23 | C3 | 125.4° | 117.9° |
| C21 | C22 | C23 | H25 | 112.8° | 118.2° |
| C22 | C21 | C9 | N10 | 112.8° | 180.0° |
| C22 | C21 | C9 | O11 | 65.6° | 0.0° |
| C21 | C22 | C3 | H25 | 116.3° | 123.9° |
| C21 | C22 | C3 | N2 | 77.5° | 54.7° |
| C21 | C22 | C3 | N1 | 101.6° | 125.0° |
| C22 | C21 | C25 | H12 | 91.8° | 97.2° |
| C22 | C21 | C25 | H13 | 146.0° | 141.6° |
| C21 | C22 | C23 | H23 | 74.5° | 81.5° |
| C21 | C22 | C23 | H24 | 161.2° | 156.1° |
| C23 | C22 | C3 | H25 | 121.6° | 124.1° |
| C23 | C22 | C3 | N2 | 44.6° | 57.3° |
| C23 | C22 | C3 | N1 | 136.3° | 123.0° |
| C23 | C22 | C21 | H14 | 68.1° | 82.7° |
| C22 | C23 | H23 | H24 | 125.9° | 122.4° |
| C9 | N10 | C13 | H15 | 180.0° | 179.9° |
| C9 | N10 | C13 | C14 | 42.9° | 24.7° |
| C9 | N10 | C13 | C18 | 136.9° | 155.5° |
| N10 | C9 | C21 | H14 | 8.4° | 56.6° |
| C13 | N10 | C9 | O11 | 5.6° | 5.8° |
| N10 | C13 | C14 | C18 | 179.8° | 179.8° |
| N10 | C13 | C14 | C15 | 177.7° | 179.8° |
| N10 | C13 | C18 | C19 | 0.1° | 0.2° |
| N10 | C13 | C18 | C17 | 179.7° | 179.8° |
| N10 | C13 | C14 | H7 | 2.3° | 0.2° |
| O11 | C9 | C21 | H14 | 173.2° | 123.4° |
| O11 | C9 | N10 | H15 | 174.4° | 174.3° |
| C22 | C3 | N2 | N1 | 179.3° | 179.7° |
| C22 | C3 | N2 | N4 | 176.5° | 179.8° |
| C22 | C3 | N1 | C5 | 177.5° | 179.7° |
| C22 | C3 | N1 | C6 | 0.3° | 0.3° |
| C3 | C22 | C21 | H14 | 62.6° | 35.2° |
| C3 | C22 | C23 | H23 | 50.9° | 36.4° |
| C3 | C22 | C23 | H24 | 73.4° | 86.0° |
| C13 | C14 | C15 | H7 | 180.0° | 179.9° |
| C14 | C13 | C18 | C19 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.5° | 0.1° |
| C13 | C14 | C15 | C16 | 2.7° | 0.1° |
| C13 | C14 | C15 | H8 | 177.3° | 179.9° |
| C14 | C13 | N10 | H15 | 137.1° | 155.2° |
| C18 | C13 | C14 | C15 | 2.4° | 0.1° |
| C13 | C18 | C19 | C17 | 179.6° | 179.9° |
| C13 | C18 | C17 | C16 | 1.3° | 0.0° |
| C18 | C13 | C14 | H7 | 177.6° | 180.0° |
| C18 | C13 | N10 | H15 | 43.1° | 24.6° |
| C13 | C18 | C19 | H16 | 90.2° | 90.0° |
| C13 | C18 | C19 | H17 | 149.8° | 150.1° |
| C13 | C18 | C19 | H18 | 29.8° | 30.0° |
| C13 | C18 | C17 | H19 | 178.7° | 180.0° |
| C3 | N2 | N4 | C5 | 3.0° | 0.0° |
| N2 | C3 | N1 | C5 | 1.6° | 0.0° |
| N2 | C3 | N1 | C6 | 179.5° | 180.0° |
| N2 | C3 | C22 | H25 | 166.2° | 178.5° |
| N4 | N2 | C3 | N1 | 2.8° | 0.0° |
| N2 | N4 | C5 | N1 | 1.9° | 0.0° |
| N2 | N4 | C5 | C12 | 177.5° | 180.0° |
| C14 | C15 | C16 | H8 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.0° | 0.1° |
| C14 | C15 | C16 | C20 | 177.1° | 180.0° |
| C19 | C18 | C17 | C16 | 178.4° | 180.0° |
| C18 | C19 | H16 | H17 | 120.0° | 120.0° |
| C18 | C19 | H16 | H18 | 120.0° | 120.1° |
| C18 | C19 | H17 | H18 | 120.0° | 120.1° |
| C19 | C18 | C17 | H19 | 1.6° | 0.0° |
| C18 | C17 | C16 | C15 | 1.0° | 0.0° |
| C18 | C17 | C16 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | C20 | 179.1° | 180.0° |
| C17 | C18 | C19 | H16 | 90.2° | 90.0° |
| C17 | C18 | C19 | H17 | 29.8° | 30.0° |
| C17 | C18 | C19 | H18 | 149.8° | 150.0° |
| C3 | N1 | C5 | N4 | 0.2° | 0.0° |
| C3 | N1 | C5 | C6 | 177.8° | 180.0° |
| C3 | N1 | C5 | C12 | 179.2° | 180.0° |
| C3 | N1 | C6 | C7 | 54.6° | 60.5° |
| C3 | N1 | C6 | C8 | 125.1° | 129.1° |
| C3 | N1 | C6 | H1 | 86.6° | 85.1° |
| N1 | C3 | C22 | H25 | 14.7° | 1.1° |
| C15 | C16 | C17 | C20 | 178.1° | 179.9° |
| C16 | C15 | C14 | H7 | 177.3° | 180.0° |
| C15 | C16 | C17 | H19 | 179.0° | 180.0° |
| C15 | C16 | C20 | H20 | 91.0° | 90.0° |
| C15 | C16 | C20 | H21 | 148.9° | 149.9° |
| C15 | C16 | C20 | H22 | 29.0° | 30.0° |
| N4 | C5 | N1 | C12 | 179.4° | 180.0° |
| N4 | C5 | N1 | C6 | 177.6° | 180.0° |
| N4 | C5 | C12 | C29 | 23.9° | 37.5° |
| N4 | C5 | C12 | C31 | 120.5° | 60.0° |
| N4 | C5 | C12 | H6 | 109.8° | 168.8° |
| C17 | C16 | C15 | H8 | 179.0° | 179.9° |
| C17 | C16 | C20 | H20 | 90.9° | 90.0° |
| C17 | C16 | C20 | H21 | 29.1° | 30.0° |
| C17 | C16 | C20 | H22 | 149.1° | 150.0° |
| C20 | C16 | C15 | H8 | 2.9° | 0.0° |
| C20 | C16 | C17 | H19 | 0.9° | 0.0° |
| C16 | C20 | H20 | H21 | 120.0° | 120.0° |
| C16 | C20 | H20 | H22 | 120.0° | 120.0° |
| C16 | C20 | H21 | H22 | 120.0° | 120.0° |
| C5 | N1 | C6 | C7 | 128.0° | 119.5° |
| C5 | N1 | C6 | C8 | 57.5° | 50.9° |
| N1 | C5 | C12 | C29 | 156.9° | 142.5° |
| N1 | C5 | C12 | C31 | 60.2° | 120.0° |
| C5 | N1 | C6 | H1 | 90.7° | 94.9° |
| N1 | C5 | C12 | H6 | 69.5° | 11.2° |
| C6 | N1 | C5 | C12 | 3.0° | 0.0° |
| N1 | C6 | C7 | C8 | 112.2° | 107.5° |
| N1 | C6 | C7 | H1 | 141.8° | 144.9° |
| N1 | C6 | C8 | H1 | 148.5° | 145.1° |
| N1 | C6 | C7 | H2 | 3.0° | 0.1° |
| N1 | C6 | C7 | H3 | 138.5° | 145.0° |
| N1 | C6 | C8 | H4 | 144.6° | 145.0° |
| N1 | C6 | C8 | H5 | 3.6° | 0.0° |
| C5 | C12 | C29 | C31 | 112.8° | 114.6° |
| C5 | C12 | C29 | H6 | 133.7° | 130.9° |
| C5 | C12 | C29 | C30 | 131.6° | 140.0° |
| C5 | C12 | C31 | H6 | 129.8° | 130.8° |
| C5 | C12 | C31 | C30 | 135.3° | 140.0° |
| C5 | C12 | C31 | H26 | 108.1° | 105.5° |
| C5 | C12 | C31 | H27 | 18.7° | 25.5° |
| C5 | C12 | C29 | H29 | 14.9° | 25.4° |
| C5 | C12 | C29 | H30 | 111.6° | 105.5° |
| C7 | C6 | C8 | H1 | 105.6° | 107.5° |
| C6 | C7 | C8 | H2 | 109.2° | 107.5° |
| C6 | C7 | C8 | H3 | 109.2° | 107.5° |
| C6 | C7 | H2 | H3 | 145.2° | 145.7° |
| C7 | C6 | C8 | H4 | 109.5° | 107.5° |
| C7 | C6 | C8 | H5 | 109.5° | 107.5° |
| C6 | C8 | H4 | H5 | 144.7° | 145.7° |
| C12 | C29 | C30 | H29 | 116.7° | 114.6° |
| C12 | C29 | C30 | H30 | 116.7° | 114.6° |
| C29 | C12 | C31 | H6 | 113.6° | 114.7° |
| C12 | C29 | C30 | C32 | 131.8° | 140.0° |
| C12 | C29 | C30 | C31 | 18.9° | 25.4° |
| C29 | C12 | C31 | H26 | 135.3° | 140.0° |
| C29 | C12 | C31 | H27 | 97.9° | 89.1° |
| C12 | C29 | C30 | H28 | 95.2° | 89.1° |
| C12 | C29 | H29 | H30 | 128.9° | 131.2° |
| C29 | C30 | C32 | C31 | 96.9° | 97.5° |
| C29 | C30 | C32 | H28 | 132.9° | 131.3° |
| C29 | C30 | C32 | C33 | 165.2° | 87.5° |
| C29 | C30 | C31 | H28 | 114.2° | 114.6° |
| C30 | C29 | C12 | H6 | 94.6° | 89.1° |
| C29 | C30 | C31 | H26 | 135.5° | 140.0° |
| C29 | C30 | C31 | H27 | 97.7° | 89.1° |
| C30 | C29 | H29 | H30 | 128.9° | 131.2° |
| C29 | C30 | C32 | H31 | 73.9° | 152.5° |
| C29 | C30 | C32 | H32 | 44.4° | 32.5° |
| C8 | C7 | H2 | H3 | 145.2° | 145.7° |
| C7 | C8 | H4 | H5 | 144.7° | 145.7° |
| C12 | C31 | C30 | C32 | 134.3° | 140.1° |
| C12 | C31 | C30 | H26 | 116.6° | 114.6° |
| C12 | C31 | C30 | H27 | 116.6° | 114.5° |
| C12 | C31 | H26 | H27 | 129.1° | 131.3° |
| C12 | C31 | C30 | H28 | 95.3° | 89.1° |
| C31 | C12 | C29 | H29 | 97.9° | 89.1° |
| C31 | C12 | C29 | H30 | 135.5° | 140.0° |
| C30 | C32 | C33 | H31 | 120.8° | 120.0° |
| C30 | C32 | C33 | H32 | 120.9° | 120.0° |
| C32 | C30 | C31 | H28 | 130.4° | 130.8° |
| C30 | C32 | C33 | C34 | 171.7° | 175.0° |
| C30 | C32 | C33 | C35 | 54.5° | 65.0° |
| C32 | C30 | C31 | H26 | 109.1° | 105.4° |
| C32 | C30 | C31 | H27 | 17.7° | 25.6° |
| C32 | C30 | C29 | H29 | 15.1° | 25.4° |
| C32 | C30 | C29 | H30 | 111.5° | 105.5° |
| C30 | C32 | H31 | H32 | 117.4° | 120.0° |
| C30 | C32 | C33 | H33 | 65.4° | 55.0° |
| C33 | C32 | C30 | C31 | 97.9° | 175.0° |
| C32 | C33 | C34 | C35 | 117.2° | 120.0° |
| C32 | C33 | C34 | H33 | 123.1° | 120.0° |
| C32 | C33 | C35 | H33 | 120.2° | 120.0° |
| C33 | C32 | C30 | H28 | 32.4° | 43.8° |
| C33 | C32 | H31 | H32 | 117.4° | 120.0° |
| C32 | C33 | C35 | H34 | 180.0° | 60.0° |
| C32 | C33 | C35 | H35 | 60.0° | 60.0° |
| C32 | C33 | C35 | H36 | 60.0° | 180.0° |
| C32 | C33 | C34 | H37 | 180.0° | 60.0° |
| C32 | C33 | C34 | H38 | 60.0° | 180.0° |
| C32 | C33 | C34 | H39 | 60.0° | 60.0° |
| C30 | C31 | C12 | H6 | 94.9° | 89.2° |
| C30 | C31 | H26 | H27 | 129.1° | 131.3° |
| C31 | C30 | C29 | H29 | 97.8° | 89.1° |
| C31 | C30 | C29 | H30 | 135.6° | 140.0° |
| C31 | C30 | C32 | H31 | 23.0° | 55.0° |
| C31 | C30 | C32 | H32 | 141.3° | 65.0° |
| C34 | C33 | C35 | H33 | 119.8° | 120.0° |
| C34 | C33 | C32 | H31 | 67.5° | 65.0° |
| C34 | C33 | C32 | H32 | 50.8° | 55.1° |
| C34 | C33 | C35 | H34 | 60.0° | 180.0° |
| C34 | C33 | C35 | H35 | 60.0° | 60.0° |
| C34 | C33 | C35 | H36 | 180.0° | 60.0° |
| C33 | C34 | H37 | H38 | 120.0° | 120.0° |
| C33 | C34 | H37 | H39 | 120.0° | 120.0° |
| C33 | C34 | H38 | H39 | 120.0° | 120.1° |
| C35 | C33 | C32 | H31 | 175.3° | 55.0° |
| C35 | C33 | C32 | H32 | 66.4° | 175.0° |
| C33 | C35 | H34 | H35 | 120.0° | 120.0° |
| C33 | C35 | H34 | H36 | 120.0° | 120.0° |
| C33 | C35 | H35 | H36 | 120.0° | 120.0° |
| C35 | C33 | C34 | H37 | 62.8° | 180.0° |
| C35 | C33 | C34 | H38 | 177.2° | 60.1° |
| C35 | C33 | C34 | H39 | 57.2° | 60.0° |
| H1 | C6 | C7 | H2 | 144.8° | 145.0° |
| H1 | C6 | C7 | H3 | 3.3° | 0.1° |
| H1 | C6 | C8 | H4 | 3.9° | 0.1° |
| H1 | C6 | C8 | H5 | 144.9° | 145.1° |
| H2 | C7 | C8 | H4 | 141.2° | 145.0° |
| H2 | C7 | C8 | H5 | 0.2° | 0.0° |
| H3 | C7 | C8 | H4 | 0.3° | 0.0° |
| H3 | C7 | C8 | H5 | 141.3° | 145.0° |
| H6 | C12 | C31 | H26 | 21.8° | 25.3° |
| H6 | C12 | C31 | H27 | 148.5° | 156.3° |
| H6 | C12 | C29 | H29 | 148.6° | 156.3° |
| H6 | C12 | C29 | H30 | 22.1° | 25.4° |
| H7 | C14 | C15 | H8 | 2.7° | 0.0° |
| H9 | C28 | H10 | H11 | 120.0° | 120.0° |
| H12 | C25 | C21 | H14 | 154.9° | 144.2° |
| H13 | C25 | C21 | H14 | 32.8° | 23.1° |
| H14 | C21 | C22 | H25 | 179.2° | 159.0° |
| H16 | C19 | H17 | H18 | 120.0° | 119.9° |
| H20 | C20 | H21 | H22 | 120.0° | 120.0° |
| H23 | C23 | C22 | H25 | 172.7° | 160.4° |
| H24 | C23 | C22 | H25 | 48.4° | 37.9° |
| H26 | C31 | C30 | H28 | 21.3° | 25.4° |
| H27 | C31 | C30 | H28 | 148.1° | 156.4° |
| H28 | C30 | C29 | H29 | 148.1° | 156.3° |
| H28 | C30 | C29 | H30 | 21.6° | 25.4° |
| H28 | C30 | C32 | H31 | 153.2° | 76.2° |
| H28 | C30 | C32 | H32 | 88.5° | 163.8° |
| H31 | C32 | C33 | H33 | 55.4° | 175.0° |
| H32 | C32 | C33 | H33 | 173.7° | 65.0° |
| H33 | C33 | C35 | H34 | 59.9° | 60.0° |
| H33 | C33 | C35 | H35 | 179.8° | 180.0° |
| H33 | C33 | C35 | H36 | 60.2° | 60.0° |
| H33 | C33 | C34 | H37 | 57.0° | 60.0° |
| H33 | C33 | C34 | H38 | 63.1° | 59.9° |
| H33 | C33 | C34 | H39 | 177.0° | NaN° |
| H34 | C35 | H35 | H36 | 120.0° | 119.9° |
| H37 | C34 | H38 | H39 | 120.0° | 120.0° |
