A1IW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.39Å | Aromatic |
| C36 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C31 | C2 | sing | 1.48Å | 1.49Å | |
| C2 | O1 | doub | 1.22Å | 1.22Å | |
| C2 | N3 | sing | 1.35Å | 1.35Å | |
| C30 | N3 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.53Å | 1.52Å | |
| N3 | C4 | sing | 1.47Å | 1.47Å | |
| C29 | C6 | sing | 1.53Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C28 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.54Å | 1.55Å | |
| C28 | N9 | sing | 1.49Å | 1.47Å | |
| N9 | C8 | sing | 1.49Å | 1.46Å | |
| N9 | C10 | sing | 1.40Å | 1.38Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C10 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C26 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C24 | sing | 1.48Å | 1.48Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| O25 | C24 | doub | 1.22Å | 1.22Å | |
| C24 | N15 | sing | 1.34Å | 1.36Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| N15 | C16 | sing | 1.46Å | 1.45Å | |
| C16 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | O20 | doub | 1.21Å | 1.23Å | |
| C19 | N21 | sing | 1.34Å | 1.37Å | |
| C22 | N21 | sing | 1.34Å | 1.36Å | |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5B | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C34 | C35 | 119.8° | 120.3° |
| C34 | C33 | C32 | 120.3° | 120.2° |
| C34 | C33 | H33 | 119.9° | 119.9° |
| C33 | C34 | H34 | 120.1° | 119.9° |
| C34 | C35 | C36 | 120.3° | 120.1° |
| C35 | C34 | H34 | 120.1° | 119.8° |
| C34 | C35 | H35 | 119.8° | 119.9° |
| C33 | C32 | C31 | 120.4° | 119.8° |
| C33 | C32 | H32 | 119.8° | 120.1° |
| C32 | C33 | H33 | 119.8° | 119.9° |
| C35 | C36 | C31 | 120.4° | 119.9° |
| C36 | C35 | H35 | 119.8° | 119.9° |
| C35 | C36 | H36 | 119.8° | 120.1° |
| C32 | C31 | C36 | 118.8° | 119.7° |
| C32 | C31 | C2 | 120.4° | 120.1° |
| C31 | C32 | H32 | 119.8° | 120.0° |
| C36 | C31 | C2 | 120.8° | 120.2° |
| C31 | C36 | H36 | 119.8° | 120.0° |
| C31 | C2 | O1 | 119.2° | 120.0° |
| C31 | C2 | N3 | 118.8° | 120.1° |
| O1 | C2 | N3 | 122.0° | 119.9° |
| C2 | N3 | C30 | 126.4° | 120.7° |
| C2 | N3 | C4 | 121.4° | 120.6° |
| N3 | C30 | C29 | 110.7° | 108.8° |
| C30 | N3 | C4 | 112.2° | 118.8° |
| N3 | C30 | H30A | 109.2° | 109.6° |
| N3 | C30 | H30B | 109.2° | 109.6° |
| C30 | C29 | C6 | 112.1° | 109.4° |
| C30 | C29 | H29A | 108.8° | 109.5° |
| C30 | C29 | H29B | 108.8° | 109.5° |
| C29 | C30 | H30A | 109.2° | 109.6° |
| C29 | C30 | H30B | 109.1° | 109.6° |
| N3 | C4 | C5 | 110.5° | 108.8° |
| N3 | C4 | H4A | 109.2° | 109.6° |
| N3 | C4 | H4B | 109.2° | 109.7° |
| C29 | C6 | C5 | 109.2° | 110.8° |
| C29 | C6 | C28 | 111.3° | 110.1° |
| C29 | C6 | C7 | 111.1° | 110.1° |
| C6 | C29 | H29A | 108.8° | 109.5° |
| C6 | C29 | H29B | 108.8° | 109.5° |
| C4 | C5 | C6 | 111.1° | 109.4° |
| C5 | C4 | H4A | 109.2° | 109.6° |
| C5 | C4 | H4B | 109.2° | 109.6° |
| C4 | C5 | H5B | 109.1° | 109.5° |
| C4 | C5 | H5A | 109.1° | 109.5° |
| C5 | C6 | C28 | 111.0° | 110.1° |
| C5 | C6 | C7 | 111.5° | 110.2° |
| C6 | C5 | H5B | 109.1° | 109.4° |
| C6 | C5 | H5A | 109.1° | 109.5° |
| C28 | C6 | C7 | 102.6° | 105.5° |
| C6 | C28 | N9 | 104.0° | 104.5° |
| C6 | C28 | H28A | 110.8° | 110.4° |
| C6 | C28 | H28B | 110.8° | 110.5° |
| C6 | C7 | C8 | 103.9° | 104.9° |
| C6 | C7 | H7A | 110.8° | 110.3° |
| C6 | C7 | H7B | 110.8° | 110.4° |
| C28 | N9 | C8 | 112.5° | 104.3° |
| C28 | N9 | C10 | 123.8° | 111.0° |
| N9 | C28 | H28A | 110.8° | 110.4° |
| N9 | C28 | H28B | 110.8° | 110.5° |
| C8 | N9 | C10 | 123.7° | 111.0° |
| N9 | C8 | C7 | 103.5° | 104.6° |
| N9 | C8 | H8B | 110.9° | 110.4° |
| N9 | C8 | H8A | 111.0° | 110.5° |
| N9 | C10 | C27 | 120.5° | 119.9° |
| N9 | C10 | C11 | 120.8° | 119.9° |
| C8 | C7 | H7A | 110.8° | 110.3° |
| C8 | C7 | H7B | 110.9° | 110.4° |
| C7 | C8 | H8B | 111.0° | 110.4° |
| C7 | C8 | H8A | 110.9° | 110.4° |
| C27 | C10 | C11 | 118.8° | 120.1° |
| C10 | C27 | C26 | 120.7° | 120.1° |
| C10 | C27 | H27 | 119.6° | 119.9° |
| C10 | C11 | C12 | 120.0° | 119.8° |
| C10 | C11 | H11 | 120.0° | 120.1° |
| C27 | C26 | C13 | 120.2° | 120.1° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | H27 | 119.6° | 119.9° |
| C11 | C12 | C13 | 120.7° | 119.5° |
| C11 | C12 | C24 | 130.5° | 132.3° |
| C12 | C11 | H11 | 120.0° | 120.1° |
| C18 | C17 | C16 | 109.7° | 108.6° |
| C17 | C18 | C19 | 112.0° | 109.2° |
| C18 | C17 | H17B | 109.4° | 109.7° |
| C18 | C17 | H17A | 109.4° | 109.6° |
| C17 | C18 | H18B | 108.8° | 109.5° |
| C17 | C18 | H18A | 108.8° | 109.5° |
| C17 | C16 | N15 | 114.2° | 109.6° |
| C17 | C16 | C22 | 111.7° | 109.1° |
| C17 | C16 | H16 | 106.6° | 109.5° |
| C16 | C17 | H17B | 109.4° | 109.6° |
| C16 | C17 | H17A | 109.4° | 109.6° |
| C26 | C13 | C12 | 119.6° | 120.4° |
| C26 | C13 | C14 | 130.9° | 133.1° |
| C13 | C26 | H26 | 119.9° | 120.0° |
| C13 | C12 | C24 | 108.8° | 108.2° |
| C12 | C13 | C14 | 109.5° | 106.5° |
| C12 | C24 | O25 | 128.6° | 124.8° |
| C12 | C24 | N15 | 106.3° | 110.3° |
| C13 | C14 | N15 | 102.2° | 106.3° |
| C13 | C14 | H14A | 111.3° | 110.1° |
| C13 | C14 | H14B | 111.3° | 110.1° |
| O25 | C24 | N15 | 125.1° | 124.8° |
| C24 | N15 | C14 | 113.2° | 108.7° |
| C24 | N15 | C16 | 122.6° | 125.6° |
| C18 | C19 | O20 | 122.7° | 119.3° |
| C18 | C19 | N21 | 116.8° | 121.3° |
| C19 | C18 | H18B | 108.8° | 109.5° |
| C19 | C18 | H18A | 108.9° | 109.5° |
| C14 | N15 | C16 | 124.1° | 125.6° |
| N15 | C14 | H14A | 111.3° | 110.1° |
| N15 | C14 | H14B | 111.3° | 110.1° |
| N15 | C16 | C22 | 110.0° | 109.5° |
| N15 | C16 | H16 | 107.3° | 109.6° |
| C16 | C22 | N21 | 116.9° | 121.3° |
| C16 | C22 | O23 | 121.5° | 119.3° |
| C22 | C16 | H16 | 106.6° | 109.5° |
| O20 | C19 | N21 | 120.5° | 119.3° |
| C19 | N21 | C22 | 126.8° | 122.6° |
| C19 | N21 | H21 | 116.6° | 118.7° |
| N21 | C22 | O23 | 121.6° | 119.4° |
| C22 | N21 | H21 | 116.6° | 118.7° |
| H14A | C14 | H14B | 109.4° | 110.2° |
| H17B | C17 | H17A | 109.5° | 109.8° |
| H18B | C18 | H18A | 109.4° | 109.6° |
| H28A | C28 | H28B | 109.5° | 110.4° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.7° |
| H4A | C4 | H4B | 109.5° | 109.6° |
| H5B | C5 | H5A | 109.4° | 109.5° |
| H7A | C7 | H7B | 109.5° | 110.4° |
| H8B | C8 | H8A | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C34 | C35 | H34 | 180.0° | 179.9° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.4° |
| C34 | C33 | C32 | C31 | 0.0° | 0.0° |
| C34 | C33 | C32 | H32 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 0.0° | 0.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.7° |
| C34 | C35 | C36 | C31 | 0.0° | 0.6° |
| C35 | C34 | C33 | H33 | 180.0° | 180.0° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C33 | C32 | C31 | H32 | 180.0° | 179.9° |
| C33 | C32 | C31 | C36 | 0.0° | 0.3° |
| C33 | C32 | C31 | C2 | 179.8° | 180.0° |
| C32 | C33 | C34 | H34 | 180.0° | 179.9° |
| C35 | C36 | C31 | C32 | 0.1° | 0.6° |
| C35 | C36 | C31 | H36 | 180.0° | 179.4° |
| C35 | C36 | C31 | C2 | 179.8° | 179.7° |
| C36 | C35 | C34 | H34 | 180.0° | 179.7° |
| C32 | C31 | C36 | C2 | 179.7° | 179.7° |
| C32 | C31 | C2 | O1 | 66.4° | 138.5° |
| C32 | C31 | C2 | N3 | 113.3° | 41.5° |
| C31 | C32 | C33 | H33 | 180.0° | 180.0° |
| C32 | C31 | C36 | H36 | 179.9° | 180.0° |
| C36 | C31 | C2 | O1 | 113.4° | 41.8° |
| C36 | C31 | C2 | N3 | 67.0° | 138.2° |
| C36 | C31 | C32 | H32 | 180.0° | 179.8° |
| C31 | C36 | C35 | H35 | 180.0° | 179.7° |
| C31 | C2 | O1 | N3 | 179.7° | 180.0° |
| C31 | C2 | N3 | C30 | 5.1° | 175.9° |
| C31 | C2 | N3 | C4 | 175.8° | 4.0° |
| C2 | C31 | C32 | H32 | 0.2° | 0.1° |
| C2 | C31 | C36 | H36 | 0.2° | 0.3° |
| O1 | C2 | N3 | C30 | 174.5° | 4.1° |
| O1 | C2 | N3 | C4 | 4.5° | 176.0° |
| C2 | N3 | C30 | C4 | 179.1° | 179.9° |
| C2 | N3 | C30 | C29 | 122.7° | 125.8° |
| C2 | N3 | C4 | C5 | 121.0° | 125.8° |
| C2 | N3 | C30 | H30A | 2.6° | 6.0° |
| C2 | N3 | C30 | H30B | 117.1° | 114.4° |
| C2 | N3 | C4 | H4A | 118.8° | 114.3° |
| C2 | N3 | C4 | H4B | 0.8° | 6.0° |
| N3 | C30 | C29 | H30A | 120.2° | 119.8° |
| N3 | C30 | C29 | H30B | 120.2° | 119.8° |
| N3 | C30 | C29 | C6 | 54.7° | 53.8° |
| C30 | N3 | C4 | C5 | 59.8° | 54.1° |
| N3 | C30 | C29 | H29A | 65.6° | 173.8° |
| N3 | C30 | C29 | H29B | 175.1° | 66.1° |
| N3 | C30 | H30A | H30B | 119.5° | 120.3° |
| C30 | N3 | C4 | H4A | 60.3° | 65.7° |
| C30 | N3 | C4 | H4B | 180.0° | 173.9° |
| C29 | C30 | N3 | C4 | 58.2° | 54.1° |
| C30 | C29 | C6 | H29A | 120.4° | 120.0° |
| C30 | C29 | C6 | H29B | 120.4° | 119.9° |
| C30 | C29 | C6 | C5 | 52.6° | 60.0° |
| C30 | C29 | C6 | C28 | 70.4° | 178.0° |
| C30 | C29 | C6 | C7 | 175.9° | 62.2° |
| C30 | C29 | H29A | H29B | 118.8° | 120.0° |
| C29 | C30 | H30A | H30B | 119.4° | 120.4° |
| N3 | C4 | C5 | H4A | 120.1° | 119.8° |
| N3 | C4 | C5 | H4B | 120.2° | 119.9° |
| N3 | C4 | C5 | C6 | 57.6° | 53.8° |
| C4 | N3 | C30 | H30A | 178.3° | 173.9° |
| C4 | N3 | C30 | H30B | 62.0° | 65.7° |
| N3 | C4 | H4A | H4B | 119.5° | 120.4° |
| N3 | C4 | C5 | H5B | 177.9° | 66.1° |
| N3 | C4 | C5 | H5A | 62.6° | 173.8° |
| C29 | C6 | C5 | C4 | 53.8° | 60.0° |
| C29 | C6 | C5 | C28 | 123.1° | 122.0° |
| C29 | C6 | C5 | C7 | 123.1° | 122.1° |
| C29 | C6 | C28 | C7 | 118.9° | 118.8° |
| C29 | C6 | C28 | N9 | 90.5° | 95.2° |
| C29 | C6 | C7 | C8 | 82.1° | 118.9° |
| C29 | C6 | C28 | H28A | 28.6° | 23.5° |
| C29 | C6 | C28 | H28B | 150.4° | 145.9° |
| C6 | C29 | H29A | H29B | 118.8° | 120.0° |
| C6 | C29 | C30 | H30A | 174.9° | 173.6° |
| C6 | C29 | C30 | H30B | 65.4° | 66.0° |
| C29 | C6 | C5 | H5B | 174.0° | 60.0° |
| C29 | C6 | C5 | H5A | 66.5° | 180.0° |
| C29 | C6 | C7 | H7A | 158.8° | 122.3° |
| C29 | C6 | C7 | H7B | 37.0° | 0.0° |
| C4 | C5 | C6 | H5B | 120.3° | 120.0° |
| C4 | C5 | C6 | H5A | 120.3° | 120.0° |
| C4 | C5 | C6 | C28 | 69.4° | 178.0° |
| C4 | C5 | C6 | C7 | 176.9° | 62.1° |
| C5 | C4 | H4A | H4B | 119.6° | 120.3° |
| C4 | C5 | H5B | H5A | 119.3° | 120.1° |
| C5 | C6 | C28 | C7 | 119.2° | 118.8° |
| C5 | C6 | C28 | N9 | 147.6° | 142.4° |
| C5 | C6 | C7 | C8 | 155.8° | 118.6° |
| C5 | C6 | C28 | H28A | 93.3° | 98.9° |
| C5 | C6 | C28 | H28B | 28.4° | 23.5° |
| C5 | C6 | C29 | H29A | 67.8° | 180.0° |
| C5 | C6 | C29 | H29B | 173.0° | 60.0° |
| C6 | C5 | C4 | H4A | 62.5° | 66.0° |
| C6 | C5 | C4 | H4B | 177.8° | 173.8° |
| C6 | C5 | H5B | H5A | 119.3° | 120.0° |
| C5 | C6 | C7 | H7A | 36.8° | 0.2° |
| C5 | C6 | C7 | H7B | 85.0° | 122.5° |
| C6 | C28 | N9 | H28A | 119.1° | 118.7° |
| C6 | C28 | N9 | H28B | 119.1° | 118.9° |
| C6 | C28 | N9 | C8 | 9.7° | 39.1° |
| C6 | C28 | N9 | C10 | 168.6° | 158.7° |
| C28 | C6 | C7 | C8 | 37.0° | 0.1° |
| C6 | C28 | H28A | H28B | 122.5° | 122.5° |
| C28 | C6 | C29 | H29A | 169.2° | 58.0° |
| C28 | C6 | C29 | H29B | 50.0° | 62.0° |
| C28 | C6 | C5 | H5B | 50.9° | 62.0° |
| C28 | C6 | C5 | H5A | 170.4° | 58.0° |
| C28 | C6 | C7 | H7A | 82.1° | 119.0° |
| C28 | C6 | C7 | H7B | 156.1° | 118.8° |
| C7 | C6 | C28 | N9 | 28.4° | 23.6° |
| C6 | C7 | C8 | N9 | 31.1° | 23.8° |
| C6 | C7 | C8 | H7A | 119.1° | 118.8° |
| C6 | C7 | C8 | H7B | 119.1° | 118.9° |
| C7 | C6 | C28 | H28A | 147.5° | 142.3° |
| C7 | C6 | C28 | H28B | 90.7° | 95.3° |
| C7 | C6 | C29 | H29A | 55.5° | 57.8° |
| C7 | C6 | C29 | H29B | 63.7° | 177.9° |
| C7 | C6 | C5 | H5B | 62.8° | 177.9° |
| C7 | C6 | C5 | H5A | 56.6° | 57.9° |
| C6 | C7 | H7A | H7B | 122.6° | 122.2° |
| C6 | C7 | C8 | H8B | 88.0° | 95.0° |
| C6 | C7 | C8 | H8A | 150.1° | 142.7° |
| C28 | N9 | C8 | C10 | 178.3° | 119.6° |
| C28 | N9 | C8 | C7 | 13.6° | 39.2° |
| C28 | N9 | C10 | C27 | 11.0° | 126.5° |
| C28 | N9 | C10 | C11 | 169.5° | 53.8° |
| N9 | C28 | H28A | H28B | 122.5° | 122.4° |
| C28 | N9 | C8 | H8B | 105.5° | 79.5° |
| C28 | N9 | C8 | H8A | 132.6° | 158.1° |
| N9 | C8 | C7 | H8B | 119.0° | 118.8° |
| N9 | C8 | C7 | H8A | 119.0° | 118.9° |
| C8 | N9 | C10 | C27 | 170.8° | 118.0° |
| C8 | N9 | C10 | C11 | 8.6° | 61.7° |
| C8 | N9 | C28 | H28A | 128.8° | 157.8° |
| C8 | N9 | C28 | H28B | 109.4° | 79.8° |
| N9 | C8 | C7 | H7A | 88.0° | 142.6° |
| N9 | C8 | C7 | H7B | 150.2° | 95.1° |
| N9 | C8 | H8B | H8A | 122.8° | 122.5° |
| C10 | N9 | C8 | C7 | 168.1° | 158.9° |
| N9 | C10 | C27 | C11 | 179.4° | 179.8° |
| N9 | C10 | C27 | C26 | 179.5° | 179.8° |
| N9 | C10 | C11 | C12 | 179.5° | 179.7° |
| N9 | C10 | C11 | H11 | 0.5° | 0.3° |
| N9 | C10 | C27 | H27 | 0.5° | 0.1° |
| C10 | N9 | C28 | H28A | 49.5° | 82.6° |
| C10 | N9 | C28 | H28B | 72.3° | 39.8° |
| C10 | N9 | C8 | H8B | 72.9° | 40.1° |
| C10 | N9 | C8 | H8A | 49.1° | 82.3° |
| C8 | C7 | H7A | H7B | 122.6° | 122.3° |
| C7 | C8 | H8B | H8A | 122.8° | 122.3° |
| C10 | C27 | C26 | H27 | 180.0° | 179.9° |
| C27 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C27 | C26 | C13 | 0.2° | 0.1° |
| C27 | C10 | C11 | H11 | 180.0° | 179.9° |
| C10 | C27 | C26 | H26 | 179.8° | 179.9° |
| C11 | C10 | C27 | C26 | 0.1° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | C24 | 178.2° | 180.0° |
| C11 | C10 | C27 | H27 | 179.9° | 179.9° |
| C27 | C26 | C13 | H26 | 180.0° | 179.9° |
| C27 | C26 | C13 | C12 | 0.2° | 0.1° |
| C27 | C26 | C13 | C14 | 177.9° | 180.0° |
| C11 | C12 | C13 | C26 | 0.2° | 0.0° |
| C11 | C12 | C13 | C24 | 178.5° | 180.0° |
| C11 | C12 | C13 | C14 | 178.3° | 180.0° |
| C11 | C12 | C24 | O25 | 2.5° | 0.0° |
| C11 | C12 | C24 | N15 | 177.7° | 180.0° |
| C18 | C17 | C16 | H17B | 120.0° | 119.8° |
| C18 | C17 | C16 | H17A | 120.0° | 119.7° |
| C17 | C18 | C19 | H18B | 120.4° | 119.9° |
| C17 | C18 | C19 | H18A | 120.4° | 119.9° |
| C18 | C17 | C16 | N15 | 178.1° | 175.5° |
| C18 | C17 | C16 | C22 | 52.5° | 55.6° |
| C17 | C18 | C19 | O20 | 157.4° | 150.9° |
| C17 | C18 | C19 | N21 | 22.4° | 29.1° |
| C18 | C17 | C16 | H16 | 63.6° | 64.3° |
| C18 | C17 | H17B | H17A | 119.9° | 120.5° |
| C17 | C18 | H18B | H18A | 118.8° | 120.2° |
| C17 | C16 | N15 | C24 | 106.7° | 59.7° |
| C16 | C17 | C18 | C19 | 53.8° | 55.6° |
| C17 | C16 | N15 | C14 | 76.4° | 120.3° |
| C17 | C16 | N15 | C22 | 126.5° | 119.7° |
| C17 | C16 | N15 | H16 | 117.9° | 120.2° |
| C17 | C16 | C22 | H16 | 116.0° | 119.9° |
| C17 | C16 | C22 | N21 | 20.2° | 29.1° |
| C17 | C16 | C22 | O23 | 159.6° | 150.9° |
| C16 | C17 | H17B | H17A | 119.9° | 120.4° |
| C16 | C17 | C18 | H18B | 66.6° | 64.3° |
| C16 | C17 | C18 | H18A | 174.3° | 175.5° |
| C26 | C13 | C12 | C14 | 178.5° | 180.0° |
| C26 | C13 | C12 | C24 | 178.7° | 180.0° |
| C26 | C13 | C14 | N15 | 178.1° | 180.0° |
| C26 | C13 | C14 | H14A | 63.1° | 60.9° |
| C26 | C13 | C14 | H14B | 59.2° | 60.8° |
| C13 | C26 | C27 | H27 | 179.8° | 179.8° |
| C13 | C12 | C24 | O25 | 179.2° | 180.0° |
| C13 | C12 | C24 | N15 | 0.6° | 0.0° |
| C12 | C13 | C14 | N15 | 0.2° | 0.0° |
| C13 | C12 | C11 | H11 | 179.9° | 179.9° |
| C12 | C13 | C14 | H14A | 118.6° | 119.1° |
| C12 | C13 | C14 | H14B | 119.0° | 119.2° |
| C12 | C13 | C26 | H26 | 179.8° | 180.0° |
| C24 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C24 | O25 | N15 | 179.7° | 180.0° |
| C12 | C24 | N15 | C14 | 0.7° | 0.0° |
| C12 | C24 | N15 | C16 | 176.5° | 180.0° |
| C24 | C12 | C11 | H11 | 1.8° | 0.0° |
| C13 | C14 | N15 | C24 | 0.6° | 0.0° |
| C13 | C14 | N15 | H14A | 118.8° | 119.2° |
| C13 | C14 | N15 | H14B | 118.8° | 119.2° |
| C13 | C14 | N15 | C16 | 176.6° | 180.0° |
| C13 | C14 | H14A | H14B | 123.4° | 121.6° |
| C14 | C13 | C26 | H26 | 2.1° | 0.1° |
| O25 | C24 | N15 | C14 | 179.1° | 180.0° |
| O25 | C24 | N15 | C16 | 3.7° | 0.0° |
| C24 | N15 | C14 | C16 | 177.2° | 180.0° |
| C24 | N15 | C16 | C22 | 126.8° | 60.0° |
| C24 | N15 | C14 | H14A | 118.2° | 119.2° |
| C24 | N15 | C14 | H14B | 119.4° | 119.2° |
| C24 | N15 | C16 | H16 | 11.2° | 179.9° |
| C18 | C19 | O20 | N21 | 179.8° | 180.0° |
| C18 | C19 | N21 | C22 | 13.2° | 0.6° |
| C19 | C18 | C17 | H17B | 66.2° | 175.3° |
| C19 | C18 | C17 | H17A | 173.9° | 64.1° |
| C19 | C18 | H18B | H18A | 118.8° | 120.1° |
| C18 | C19 | N21 | H21 | 166.8° | 179.5° |
| C14 | N15 | C16 | C22 | 50.1° | 120.0° |
| N15 | C14 | H14A | H14B | 123.4° | 121.5° |
| C14 | N15 | C16 | H16 | 165.7° | 0.1° |
| N15 | C16 | C22 | H16 | 116.1° | 120.2° |
| N15 | C16 | C22 | N21 | 148.1° | 149.1° |
| N15 | C16 | C22 | O23 | 31.7° | 30.9° |
| C16 | N15 | C14 | H14A | 64.6° | 60.8° |
| C16 | N15 | C14 | H14B | 57.7° | 60.8° |
| N15 | C16 | C17 | H17B | 58.0° | 64.7° |
| N15 | C16 | C17 | H17A | 61.9° | 55.8° |
| C16 | C22 | N21 | C19 | 14.4° | 0.6° |
| C16 | C22 | N21 | O23 | 179.8° | 180.0° |
| C22 | C16 | C17 | H17B | 67.6° | 175.4° |
| C22 | C16 | C17 | H17A | 172.5° | 64.1° |
| C16 | C22 | N21 | H21 | 165.6° | 179.4° |
| O20 | C19 | N21 | C22 | 167.0° | 179.4° |
| O20 | C19 | C18 | H18B | 82.2° | 89.2° |
| O20 | C19 | C18 | H18A | 37.0° | 31.0° |
| O20 | C19 | N21 | H21 | 13.0° | 0.5° |
| C19 | N21 | C22 | H21 | 180.0° | 180.0° |
| C19 | N21 | C22 | O23 | 165.8° | 179.4° |
| N21 | C19 | C18 | H18B | 98.0° | 90.8° |
| N21 | C19 | C18 | H18A | 142.8° | 149.0° |
| N21 | C22 | C16 | H16 | 95.8° | 90.7° |
| O23 | C22 | C16 | H16 | 84.4° | 89.2° |
| O23 | C22 | N21 | H21 | 14.2° | 0.5° |
| H16 | C16 | C17 | H17B | 176.4° | 55.5° |
| H16 | C16 | C17 | H17A | 56.4° | 176.0° |
| H17B | C17 | C18 | H18B | 173.4° | 55.4° |
| H17B | C17 | C18 | H18A | 54.2° | 64.8° |
| H17A | C17 | C18 | H18B | 53.5° | 176.0° |
| H17A | C17 | C18 | H18A | 65.7° | 55.8° |
| H26 | C26 | C27 | H27 | 0.2° | 0.0° |
| H29A | C29 | C30 | H30A | 54.6° | 66.4° |
| H29A | C29 | C30 | H30B | 174.2° | 54.0° |
| H29B | C29 | C30 | H30A | 64.7° | 53.7° |
| H29B | C29 | C30 | H30B | 54.9° | 174.1° |
| H32 | C32 | C33 | H33 | 0.0° | 0.1° |
| H33 | C33 | C34 | H34 | 0.0° | 0.1° |
| H34 | C34 | C35 | H35 | 0.0° | 0.1° |
| H35 | C35 | C36 | H36 | 0.0° | 0.3° |
| H4A | C4 | C5 | H5B | 57.7° | 174.1° |
| H4A | C4 | C5 | H5A | 177.2° | 54.0° |
| H4B | C4 | C5 | H5B | 62.0° | 53.8° |
| H4B | C4 | C5 | H5A | 57.5° | 66.2° |
| H7A | C7 | C8 | H8B | 153.0° | 23.8° |
| H7A | C7 | C8 | H8A | 31.0° | 98.5° |
| H7B | C7 | C8 | H8B | 31.1° | 146.1° |
| H7B | C7 | C8 | H8A | 90.8° | 23.8° |
