XGO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | C5 | sing | 1.47Å | 1.48Å | |
| N1 | C26 | sing | 1.35Å | 1.37Å | |
| C2 | C3 | sing | 1.54Å | 1.54Å | |
| C3 | C4 | sing | 1.55Å | 1.59Å | |
| C3 | C6 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.54Å | 1.52Å | |
| C4 | C7 | sing | 1.54Å | 1.54Å | |
| C6 | C7 | sing | 1.55Å | 1.56Å | |
| C6 | C8 | sing | 1.54Å | 1.53Å | |
| C7 | C10 | sing | 1.54Å | 1.54Å | |
| C8 | N9 | sing | 1.47Å | 1.49Å | |
| N9 | C10 | sing | 1.47Å | 1.47Å | |
| N9 | C15 | sing | 1.35Å | 1.42Å | |
| C15 | C16 | sing | 1.48Å | 1.52Å | |
| C15 | O17 | doub | 1.22Å | 1.26Å | |
| C16 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C19 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.46Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.45Å | Aromatic |
| C21 | N25 | sing | 1.35Å | 1.41Å | Aromatic |
| C22 | N23 | sing | 1.37Å | 1.42Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.42Å | Aromatic |
| N24 | N25 | doub | 1.29Å | 1.31Å | Aromatic |
| C26 | C27 | sing | 1.48Å | 1.52Å | |
| C26 | O28 | doub | 1.22Å | 1.24Å | |
| C27 | N29 | doub | 1.33Å | 1.40Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| N29 | C30 | sing | 1.32Å | 1.36Å | Aromatic |
| C30 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | O34 | sing | 1.36Å | 1.34Å | |
| C31 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C39 | sing | 1.51Å | 1.44Å | |
| O34 | C35 | sing | 1.43Å | 1.41Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.53Å | 1.52Å | |
| C39 | C40 | sing | 1.53Å | 1.48Å | |
| C39 | C41 | sing | 1.53Å | 1.51Å | |
| C40 | C41 | sing | 1.53Å | 1.49Å | |
| C10 | H48 | sing | 1.09Å | 1.10Å | |
| C10 | H49 | sing | 1.09Å | 1.10Å | |
| C18 | H50 | sing | 1.08Å | 1.08Å | |
| C19 | H51 | sing | 1.08Å | 1.08Å | |
| C20 | H52 | sing | 1.08Å | 1.08Å | |
| C2 | H43 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H44 | sing | 1.09Å | 1.10Å | |
| C5 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| N23 | H53 | sing | 0.97Å | 1.00Å | |
| C31 | H54 | sing | 1.08Å | 1.08Å | |
| C32 | H55 | sing | 1.08Å | 1.08Å | |
| C35 | H56 | sing | 1.09Å | 1.10Å | |
| C35 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H58 | sing | 1.09Å | 1.10Å | |
| C37 | H60 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C5 | 113.5° | 109.3° |
| C2 | N1 | C26 | 119.9° | 125.3° |
| N1 | C2 | C3 | 101.5° | 106.8° |
| N1 | C2 | H43 | 111.4° | 110.0° |
| N1 | C2 | H42 | 111.4° | 110.0° |
| C5 | N1 | C26 | 126.6° | 125.4° |
| N1 | C5 | C4 | 103.8° | 108.0° |
| N1 | C5 | H44 | 110.9° | 109.7° |
| N1 | C5 | H45 | 110.9° | 109.8° |
| N1 | C26 | C27 | 123.0° | 120.0° |
| N1 | C26 | O28 | 116.3° | 120.0° |
| C2 | C3 | C4 | 106.8° | 103.7° |
| C2 | C3 | C6 | 118.0° | 113.8° |
| C3 | C2 | H43 | 111.4° | 110.0° |
| C3 | C2 | H42 | 111.4° | 110.0° |
| C2 | C3 | H12 | 114.0° | 115.0° |
| C4 | C3 | C6 | 88.1° | 87.2° |
| C3 | C4 | C5 | 106.9° | 104.5° |
| C3 | C4 | C7 | 90.7° | 87.1° |
| C4 | C3 | H12 | 113.2° | 116.6° |
| C3 | C4 | H11 | 115.1° | 116.6° |
| C3 | C6 | C7 | 91.1° | 87.2° |
| C3 | C6 | C8 | 118.0° | 113.9° |
| C6 | C3 | H12 | 113.6° | 116.7° |
| C3 | C6 | H14 | 113.1° | 115.7° |
| C5 | C4 | C7 | 108.8° | 113.2° |
| C5 | C4 | H11 | 116.3° | 115.0° |
| C4 | C5 | H44 | 110.9° | 109.8° |
| C4 | C5 | H45 | 110.9° | 109.8° |
| C4 | C7 | C6 | 90.1° | 87.1° |
| C4 | C7 | C10 | 112.6° | 113.1° |
| C7 | C4 | H11 | 116.0° | 116.8° |
| C4 | C7 | H13 | 114.7° | 116.3° |
| C7 | C6 | C8 | 105.3° | 104.5° |
| C6 | C7 | C10 | 107.5° | 103.6° |
| C7 | C6 | H14 | 113.2° | 116.4° |
| C6 | C7 | H13 | 114.5° | 117.6° |
| C6 | C8 | N9 | 102.3° | 107.9° |
| C8 | C6 | H14 | 113.6° | 115.4° |
| C6 | C8 | H47 | 111.2° | 109.7° |
| C6 | C8 | H46 | 111.2° | 109.8° |
| C7 | C10 | N9 | 102.1° | 106.7° |
| C7 | C10 | H48 | 111.3° | 110.0° |
| C7 | C10 | H49 | 111.3° | 110.0° |
| C10 | C7 | H13 | 114.8° | 115.4° |
| C8 | N9 | C10 | 110.1° | 109.4° |
| C8 | N9 | C15 | 122.2° | 125.3° |
| N9 | C8 | H47 | 111.2° | 109.7° |
| N9 | C8 | H46 | 111.2° | 109.8° |
| C10 | N9 | C15 | 127.7° | 125.3° |
| N9 | C10 | H48 | 111.3° | 110.0° |
| N9 | C10 | H49 | 111.3° | 110.0° |
| N9 | C15 | C16 | 120.4° | 120.0° |
| N9 | C15 | O17 | 118.8° | 120.0° |
| C16 | C15 | O17 | 120.8° | 120.0° |
| C15 | C16 | C18 | 117.0° | 119.8° |
| C15 | C16 | C20 | 121.4° | 119.9° |
| C18 | C16 | C20 | 121.6° | 120.3° |
| C16 | C18 | C19 | 122.5° | 120.4° |
| C16 | C18 | H50 | 118.7° | 119.8° |
| C16 | C20 | C21 | 115.4° | 119.5° |
| C16 | C20 | H52 | 122.3° | 120.2° |
| C18 | C19 | C22 | 119.4° | 120.1° |
| C19 | C18 | H50 | 118.7° | 119.8° |
| C18 | C19 | H51 | 120.3° | 119.9° |
| C19 | C22 | C21 | 119.6° | 120.2° |
| C19 | C22 | N23 | 132.9° | 133.7° |
| C22 | C19 | H51 | 120.3° | 119.9° |
| C20 | C21 | C22 | 121.4° | 119.4° |
| C20 | C21 | N25 | 132.7° | 133.0° |
| C21 | C20 | H52 | 122.3° | 120.3° |
| C22 | C21 | N25 | 105.9° | 107.6° |
| C21 | C22 | N23 | 107.5° | 106.1° |
| C21 | N25 | N24 | 109.5° | 110.1° |
| C22 | N23 | N24 | 105.4° | 106.6° |
| C22 | N23 | H53 | 127.3° | 126.7° |
| N23 | N24 | N25 | 111.8° | 109.6° |
| N24 | N23 | H53 | 127.3° | 126.7° |
| C27 | C26 | O28 | 120.7° | 120.0° |
| C26 | C27 | N29 | 122.6° | 119.7° |
| C26 | C27 | C31 | 114.0° | 119.7° |
| N29 | C27 | C31 | 123.3° | 120.6° |
| C27 | N29 | C30 | 114.2° | 121.6° |
| C27 | C31 | C32 | 119.3° | 119.2° |
| C27 | C31 | H54 | 120.3° | 120.4° |
| N29 | C30 | C33 | 125.9° | 120.7° |
| N29 | C30 | O34 | 123.2° | 119.7° |
| C33 | C30 | O34 | 110.9° | 119.6° |
| C30 | C33 | C32 | 118.4° | 119.4° |
| C30 | C33 | C39 | 120.5° | 120.3° |
| C30 | O34 | C35 | 118.6° | 117.0° |
| C31 | C32 | C33 | 118.8° | 118.5° |
| C32 | C31 | H54 | 120.3° | 120.4° |
| C31 | C32 | H55 | 120.6° | 120.7° |
| C32 | C33 | C39 | 121.0° | 120.3° |
| C33 | C32 | H55 | 120.6° | 120.8° |
| C33 | C39 | C40 | 112.6° | 117.5° |
| C33 | C39 | C41 | 113.3° | 117.5° |
| C33 | C39 | H63 | 119.8° | 115.6° |
| O34 | C35 | C36 | 103.3° | 109.5° |
| O34 | C35 | H56 | 111.0° | 109.5° |
| O34 | C35 | H57 | 111.0° | 109.4° |
| C35 | C36 | C37 | 120.8° | 117.5° |
| C35 | C36 | C38 | 117.0° | 117.5° |
| C36 | C35 | H56 | 111.0° | 109.5° |
| C36 | C35 | H57 | 111.0° | 109.5° |
| C35 | C36 | H58 | 115.9° | 115.6° |
| C37 | C36 | C38 | 59.4° | 60.0° |
| C36 | C37 | C38 | 60.2° | 60.0° |
| C37 | C36 | H58 | 115.9° | 117.5° |
| C36 | C37 | H60 | 120.0° | 117.5° |
| C36 | C37 | H59 | 120.0° | 117.5° |
| C36 | C38 | C37 | 60.3° | 60.0° |
| C38 | C36 | H58 | 115.9° | 117.5° |
| C36 | C38 | H61 | 119.9° | 117.5° |
| C36 | C38 | H62 | 120.0° | 117.6° |
| C38 | C37 | H60 | 120.0° | 117.4° |
| C38 | C37 | H59 | 120.0° | 117.5° |
| C37 | C38 | H61 | 119.9° | 117.5° |
| C37 | C38 | H62 | 119.9° | 117.6° |
| C40 | C39 | C41 | 59.7° | 60.0° |
| C39 | C40 | C41 | 61.2° | 60.0° |
| C40 | C39 | H63 | 118.9° | 117.4° |
| C39 | C40 | H64 | 119.8° | 117.5° |
| C39 | C40 | H65 | 119.8° | 117.5° |
| C39 | C41 | C40 | 59.1° | 60.0° |
| C41 | C39 | H63 | 118.2° | 117.5° |
| C39 | C41 | H67 | 120.1° | 117.5° |
| C39 | C41 | H66 | 120.2° | 117.5° |
| C41 | C40 | H64 | 119.8° | 117.5° |
| C41 | C40 | H65 | 119.8° | 117.5° |
| C40 | C41 | H67 | 120.2° | 117.5° |
| C40 | C41 | H66 | 120.2° | 117.5° |
| H48 | C10 | H49 | 109.5° | 110.0° |
| H43 | C2 | H42 | 109.4° | 110.0° |
| H44 | C5 | H45 | 109.5° | 109.7° |
| H47 | C8 | H46 | 109.5° | 109.8° |
| H56 | C35 | H57 | 109.5° | 109.5° |
| H60 | C37 | H59 | 109.5° | 115.6° |
| H61 | C38 | H62 | 109.5° | 115.5° |
| H64 | C40 | H65 | 109.5° | 115.5° |
| H67 | C41 | H66 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C5 | C26 | 178.5° | 180.0° |
| N1 | C2 | C3 | H43 | 118.7° | 119.4° |
| N1 | C2 | C3 | H42 | 118.7° | 119.3° |
| N1 | C2 | C3 | C4 | 21.1° | 27.3° |
| N1 | C2 | C3 | C6 | 75.8° | 65.7° |
| C2 | N1 | C5 | C4 | 24.3° | 1.2° |
| C2 | N1 | C26 | C27 | 179.1° | 180.0° |
| C2 | N1 | C26 | O28 | 1.5° | 0.0° |
| N1 | C2 | H43 | H42 | 123.7° | 121.4° |
| N1 | C2 | C3 | H12 | 146.9° | 155.8° |
| C2 | N1 | C5 | H44 | 94.8° | 118.5° |
| C2 | N1 | C5 | H45 | 143.4° | 120.9° |
| C5 | N1 | C2 | C3 | 29.0° | 18.1° |
| N1 | C5 | C4 | C3 | 8.7° | 15.8° |
| N1 | C5 | C4 | H44 | 119.1° | 119.6° |
| N1 | C5 | C4 | H45 | 119.1° | 119.7° |
| N1 | C5 | C4 | C7 | 88.0° | 108.9° |
| C5 | N1 | C26 | C27 | 2.5° | 0.0° |
| C5 | N1 | C26 | O28 | 179.9° | 180.0° |
| C5 | N1 | C2 | H43 | 147.8° | 137.4° |
| C5 | N1 | C2 | H42 | 89.7° | 101.2° |
| N1 | C5 | C4 | H11 | 138.8° | 113.3° |
| N1 | C5 | H44 | H45 | 122.7° | 120.7° |
| C26 | N1 | C2 | C3 | 152.4° | 161.9° |
| C26 | N1 | C5 | C4 | 157.2° | 178.8° |
| N1 | C26 | C27 | O28 | 177.5° | 180.0° |
| N1 | C26 | C27 | N29 | 111.6° | 0.0° |
| N1 | C26 | C27 | C31 | 69.9° | 179.7° |
| C26 | N1 | C2 | H43 | 33.7° | 42.6° |
| C26 | N1 | C2 | H42 | 88.9° | 78.8° |
| C26 | N1 | C5 | H44 | 83.7° | 61.5° |
| C26 | N1 | C5 | H45 | 38.2° | 59.1° |
| C2 | C3 | C4 | C6 | 118.7° | 113.8° |
| C2 | C3 | C4 | H12 | 126.3° | 127.5° |
| C2 | C3 | C6 | H12 | 137.4° | 137.7° |
| C2 | C3 | C4 | C5 | 8.1° | 25.8° |
| C2 | C3 | C4 | C7 | 118.0° | 139.1° |
| C2 | C3 | C6 | C7 | 107.4° | 128.8° |
| C2 | C3 | C6 | C8 | 144.6° | 126.5° |
| C3 | C2 | H43 | H42 | 123.7° | 121.3° |
| C2 | C3 | C4 | H11 | 122.7° | 102.3° |
| C2 | C3 | C6 | H14 | 8.5° | 10.8° |
| C4 | C3 | C6 | H12 | 114.5° | 118.5° |
| C3 | C4 | C5 | C7 | 96.7° | 93.1° |
| C3 | C4 | C5 | H11 | 130.1° | 129.1° |
| C3 | C4 | C7 | H11 | 118.5° | 118.5° |
| C4 | C3 | C6 | C7 | 0.7° | 25.1° |
| C4 | C3 | C6 | C8 | 107.4° | 129.7° |
| C3 | C4 | C7 | C10 | 109.7° | 78.6° |
| C4 | C3 | C2 | H43 | 139.8° | 146.6° |
| C4 | C3 | C2 | H42 | 97.6° | 92.0° |
| C3 | C4 | C5 | H44 | 110.4° | 135.5° |
| C3 | C4 | C5 | H45 | 127.8° | 103.8° |
| C4 | C3 | C6 | H14 | 116.6° | 93.0° |
| C3 | C4 | C7 | H13 | 116.5° | 144.5° |
| C6 | C3 | C4 | C5 | 110.6° | 88.0° |
| C3 | C6 | C7 | C8 | 119.5° | 113.9° |
| C3 | C6 | C7 | H14 | 115.8° | 117.5° |
| C3 | C6 | C8 | H14 | 135.8° | 137.4° |
| C3 | C6 | C7 | C10 | 114.5° | 87.8° |
| C3 | C6 | C8 | N9 | 75.8° | 77.3° |
| C6 | C3 | C2 | H43 | 42.9° | 53.6° |
| C6 | C3 | C2 | H42 | 165.4° | 175.0° |
| C6 | C3 | C4 | H11 | 118.6° | 143.9° |
| C3 | C6 | C7 | H13 | 116.7° | 143.6° |
| C3 | C6 | C8 | H47 | 165.3° | 163.1° |
| C3 | C6 | C8 | H46 | 43.0° | 42.3° |
| C5 | C4 | C7 | H11 | 133.3° | 137.0° |
| C5 | C4 | C7 | C6 | 108.9° | 79.5° |
| C5 | C4 | C7 | C10 | 142.1° | 176.9° |
| C5 | C4 | C3 | H12 | 134.4° | 153.4° |
| C4 | C5 | H44 | H45 | 122.6° | 120.7° |
| C5 | C4 | C7 | H13 | 8.4° | 40.0° |
| C4 | C7 | C6 | C10 | 113.8° | 113.1° |
| C4 | C7 | C6 | H13 | 117.4° | 118.3° |
| C4 | C7 | C6 | C8 | 118.8° | 139.2° |
| C4 | C7 | C10 | H13 | 133.7° | 137.4° |
| C4 | C7 | C10 | N9 | 81.4° | 120.2° |
| C4 | C7 | C10 | H48 | 37.4° | 0.9° |
| C4 | C7 | C10 | H49 | 159.8° | 120.5° |
| C7 | C4 | C3 | H12 | 115.7° | 93.4° |
| C7 | C4 | C5 | H44 | 152.9° | 131.4° |
| C7 | C4 | C5 | H45 | 31.1° | 10.8° |
| C4 | C7 | C6 | H14 | 116.5° | 92.2° |
| C7 | C6 | C8 | H14 | 124.5° | 129.2° |
| C6 | C7 | C10 | H13 | 128.6° | 129.9° |
| C7 | C6 | C8 | N9 | 23.9° | 16.1° |
| C6 | C7 | C10 | N9 | 16.3° | 27.5° |
| C6 | C7 | C10 | H48 | 135.1° | 91.8° |
| C6 | C7 | C10 | H49 | 102.5° | 146.8° |
| C7 | C6 | C3 | H12 | 115.2° | 93.4° |
| C6 | C7 | C4 | H11 | 117.8° | 143.5° |
| C7 | C6 | C8 | H47 | 95.0° | 103.5° |
| C7 | C6 | C8 | H46 | 142.7° | 135.7° |
| C8 | C6 | C7 | C10 | 4.9° | 26.1° |
| C6 | C8 | N9 | H47 | 118.9° | 119.5° |
| C6 | C8 | N9 | H46 | 118.8° | 119.7° |
| C6 | C8 | N9 | C10 | 36.9° | 1.1° |
| C6 | C8 | N9 | C15 | 142.9° | 178.9° |
| C8 | C6 | C3 | H12 | 7.2° | 11.2° |
| C8 | C6 | C7 | H13 | 123.8° | 102.5° |
| C6 | C8 | H47 | H46 | 123.3° | 120.8° |
| C7 | C10 | N9 | C8 | 33.4° | 18.2° |
| C7 | C10 | N9 | H48 | 118.8° | 119.3° |
| C7 | C10 | N9 | H49 | 118.8° | 119.3° |
| C7 | C10 | N9 | C15 | 146.3° | 161.8° |
| C7 | C10 | H48 | H49 | 123.4° | 121.4° |
| C10 | C7 | C4 | H11 | 8.8° | 39.9° |
| C10 | C7 | C6 | H14 | 129.7° | 154.7° |
| C8 | N9 | C10 | C15 | 179.7° | 180.0° |
| C8 | N9 | C15 | C16 | 178.3° | 175.9° |
| C8 | N9 | C15 | O17 | 0.2° | 4.2° |
| C8 | N9 | C10 | H48 | 152.2° | 101.2° |
| C8 | N9 | C10 | H49 | 85.4° | 137.5° |
| N9 | C8 | C6 | H14 | 148.3° | 145.2° |
| N9 | C8 | H47 | H46 | 123.3° | 120.8° |
| C10 | N9 | C15 | C16 | 1.4° | 4.1° |
| C10 | N9 | C15 | O17 | 179.5° | 175.8° |
| N9 | C10 | H48 | H49 | 123.4° | 121.3° |
| N9 | C10 | C7 | H13 | 144.9° | 102.4° |
| C10 | N9 | C8 | H47 | 82.0° | 120.7° |
| C10 | N9 | C8 | H46 | 155.7° | 118.5° |
| N9 | C15 | C16 | O17 | 178.0° | 180.0° |
| N9 | C15 | C16 | C18 | 90.5° | 152.6° |
| N9 | C15 | C16 | C20 | 89.1° | 27.6° |
| C15 | N9 | C10 | H48 | 27.5° | 78.8° |
| C15 | N9 | C10 | H49 | 94.8° | 42.5° |
| C15 | N9 | C8 | H47 | 98.3° | 59.3° |
| C15 | N9 | C8 | H46 | 24.0° | 61.5° |
| C15 | C16 | C18 | C20 | 179.7° | 179.8° |
| C15 | C16 | C18 | C19 | 179.5° | 179.9° |
| C15 | C16 | C20 | C21 | 179.7° | 180.0° |
| C15 | C16 | C18 | H50 | 0.5° | 0.0° |
| C15 | C16 | C20 | H52 | 0.3° | 0.1° |
| O17 | C15 | C16 | C18 | 87.5° | 27.4° |
| O17 | C15 | C16 | C20 | 92.8° | 152.4° |
| C16 | C18 | C19 | H50 | 180.0° | 179.9° |
| C16 | C18 | C19 | C22 | 1.3° | 0.1° |
| C18 | C16 | C20 | C21 | 0.7° | 0.2° |
| C16 | C18 | C19 | H51 | 178.7° | 180.0° |
| C18 | C16 | C20 | H52 | 179.3° | 179.7° |
| C20 | C16 | C18 | C19 | 0.1° | 0.3° |
| C16 | C20 | C21 | H52 | 180.0° | 179.9° |
| C16 | C20 | C21 | C22 | 0.4° | 0.1° |
| C16 | C20 | C21 | N25 | 179.3° | 179.9° |
| C20 | C16 | C18 | H50 | 179.9° | 179.8° |
| C18 | C19 | C22 | H51 | 180.0° | 180.0° |
| C18 | C19 | C22 | C21 | 1.5° | 0.3° |
| C18 | C19 | C22 | N23 | 179.7° | 180.0° |
| C19 | C22 | C21 | C20 | 0.7° | 0.3° |
| C19 | C22 | C21 | N23 | 178.6° | 179.8° |
| C19 | C22 | C21 | N25 | 178.4° | 179.7° |
| C19 | C22 | N23 | N24 | 177.7° | 180.0° |
| C22 | C19 | C18 | H50 | 178.7° | 180.0° |
| C19 | C22 | N23 | H53 | 2.3° | 0.1° |
| C20 | C21 | C22 | N25 | 179.1° | 180.0° |
| C20 | C21 | C22 | N23 | 179.3° | 179.9° |
| C20 | C21 | N25 | N24 | 178.6° | 179.5° |
| C21 | C22 | N23 | N24 | 0.6° | 0.2° |
| C22 | C21 | N25 | N24 | 0.4° | 0.4° |
| C21 | C22 | C19 | H51 | 178.5° | 179.7° |
| C22 | C21 | C20 | H52 | 179.6° | 180.0° |
| C21 | C22 | N23 | H53 | 179.4° | 179.7° |
| N25 | C21 | C22 | N23 | 0.1° | 0.1° |
| C21 | N25 | N24 | N23 | 0.8° | 0.6° |
| N25 | C21 | C20 | H52 | 0.8° | 0.0° |
| C22 | N23 | N24 | H53 | 180.0° | 179.9° |
| C22 | N23 | N24 | N25 | 0.9° | 0.5° |
| N23 | C22 | C19 | H51 | 0.3° | 0.0° |
| N25 | N24 | N23 | H53 | 179.1° | 179.4° |
| C26 | C27 | N29 | C31 | 178.4° | 179.8° |
| C26 | C27 | N29 | C30 | 179.9° | 179.9° |
| C26 | C27 | C31 | C32 | 179.7° | 180.0° |
| C26 | C27 | C31 | H54 | 0.3° | 0.0° |
| O28 | C26 | C27 | N29 | 71.0° | 180.0° |
| O28 | C26 | C27 | C31 | 107.6° | 0.3° |
| C27 | N29 | C30 | C33 | 0.4° | 0.1° |
| C27 | N29 | C30 | O34 | 178.5° | 180.0° |
| N29 | C27 | C31 | C32 | 1.7° | 0.2° |
| N29 | C27 | C31 | H54 | 178.3° | 179.8° |
| C31 | C27 | N29 | C30 | 1.5° | 0.2° |
| C27 | C31 | C32 | H54 | 180.0° | 180.0° |
| C27 | C31 | C32 | C33 | 0.8° | 0.0° |
| C27 | C31 | C32 | H55 | 179.2° | 180.0° |
| N29 | C30 | C33 | O34 | 179.0° | 179.9° |
| N29 | C30 | C33 | C32 | 0.4° | 0.4° |
| N29 | C30 | C33 | C39 | 179.0° | 180.0° |
| N29 | C30 | O34 | C35 | 25.2° | 0.0° |
| C30 | C33 | C32 | C31 | 0.2° | 0.3° |
| C30 | C33 | C32 | C39 | 178.6° | 179.7° |
| C33 | C30 | O34 | C35 | 153.8° | 180.0° |
| C30 | C33 | C39 | C40 | 170.4° | 120.0° |
| C30 | C33 | C39 | C41 | 124.2° | 171.4° |
| C30 | C33 | C32 | H55 | 179.8° | 179.7° |
| C30 | C33 | C39 | H63 | 23.0° | 25.6° |
| O34 | C30 | C33 | C32 | 179.4° | 179.7° |
| O34 | C30 | C33 | C39 | 2.0° | 0.0° |
| C30 | O34 | C35 | C36 | 178.1° | 180.0° |
| C30 | O34 | C35 | H56 | 59.1° | 60.0° |
| C30 | O34 | C35 | H57 | 62.9° | 60.0° |
| C31 | C32 | C33 | H55 | 180.0° | 180.0° |
| C31 | C32 | C33 | C39 | 178.8° | 180.0° |
| C32 | C33 | C39 | C40 | 11.1° | 60.3° |
| C32 | C33 | C39 | C41 | 54.4° | 8.3° |
| C33 | C32 | C31 | H54 | 179.2° | 180.0° |
| C32 | C33 | C39 | H63 | 158.4° | 154.1° |
| C33 | C39 | C40 | C41 | 104.7° | 107.4° |
| C33 | C39 | C40 | H63 | 147.7° | 145.0° |
| C33 | C39 | C41 | H63 | 147.7° | 145.1° |
| C39 | C33 | C32 | H55 | 1.2° | 0.0° |
| C33 | C39 | C40 | H64 | 5.2° | 0.0° |
| C33 | C39 | C40 | H65 | 145.6° | 145.0° |
| C33 | C39 | C41 | H67 | 147.2° | 145.1° |
| C33 | C39 | C41 | H66 | 5.7° | 0.1° |
| O34 | C35 | C36 | H56 | 119.0° | 120.0° |
| O34 | C35 | C36 | H57 | 119.0° | 119.9° |
| O34 | C35 | C36 | C37 | 58.6° | 175.0° |
| O34 | C35 | C36 | C38 | 127.5° | 116.3° |
| O34 | C35 | H56 | H57 | 122.9° | 119.9° |
| O34 | C35 | C36 | H58 | 90.0° | 29.3° |
| C35 | C36 | C37 | C38 | 105.2° | 107.5° |
| C35 | C36 | C37 | H58 | 148.6° | 145.0° |
| C35 | C36 | C38 | H58 | 142.4° | 145.0° |
| C36 | C35 | H56 | H57 | 122.9° | 120.1° |
| C35 | C36 | C37 | H60 | 145.2° | 145.0° |
| C35 | C36 | C37 | H59 | 4.3° | 0.0° |
| C35 | C36 | C38 | H61 | 1.9° | 0.0° |
| C35 | C36 | C38 | H62 | 139.0° | 145.0° |
| C37 | C36 | C38 | H58 | 106.1° | 107.5° |
| C36 | C37 | C38 | H60 | 109.6° | 107.5° |
| C36 | C37 | C38 | H59 | 109.5° | 107.5° |
| C37 | C36 | C35 | H56 | 60.4° | 55.0° |
| C37 | C36 | C35 | H57 | 177.6° | 65.0° |
| C36 | C37 | H60 | H59 | 144.6° | 145.7° |
| C37 | C36 | C38 | H61 | 109.6° | 107.5° |
| C37 | C36 | C38 | H62 | 109.5° | 107.6° |
| C38 | C36 | C35 | H56 | 8.5° | 123.6° |
| C38 | C36 | C35 | H57 | 113.5° | 3.6° |
| C36 | C38 | H61 | H62 | 144.6° | 145.7° |
| C38 | C37 | H60 | H59 | 144.6° | 145.7° |
| C37 | C38 | H61 | H62 | 144.5° | 145.7° |
| C40 | C39 | C41 | H63 | 108.8° | 107.4° |
| C39 | C40 | C41 | H64 | 109.8° | 107.5° |
| C39 | C40 | C41 | H65 | 109.8° | 107.5° |
| C39 | C40 | H64 | H65 | 144.1° | 145.7° |
| C40 | C39 | C41 | H67 | 109.3° | 107.5° |
| C40 | C39 | C41 | H66 | 109.2° | 107.5° |
| C39 | C41 | H67 | H66 | 145.2° | 145.7° |
| C41 | C40 | H64 | H65 | 144.1° | 145.7° |
| C40 | C41 | H67 | H66 | 145.2° | 145.7° |
| H48 | C10 | C7 | H13 | 96.3° | 138.2° |
| H49 | C10 | C7 | H13 | 26.1° | 16.9° |
| H50 | C18 | C19 | H51 | 1.3° | 0.0° |
| H43 | C2 | C3 | H12 | 94.4° | 84.8° |
| H42 | C2 | C3 | H12 | 28.2° | 36.5° |
| H12 | C3 | C4 | H11 | 3.7° | 25.2° |
| H12 | C3 | C6 | H14 | 128.9° | 148.5° |
| H11 | C4 | C5 | H44 | 19.8° | 6.4° |
| H11 | C4 | C5 | H45 | 102.1° | 127.1° |
| H11 | C4 | C7 | H13 | 124.9° | 97.0° |
| H14 | C6 | C7 | H13 | 0.9° | 26.1° |
| H14 | C6 | C8 | H47 | 29.5° | 25.7° |
| H14 | C6 | C8 | H46 | 92.8° | 95.1° |
| H54 | C31 | C32 | H55 | 0.8° | 0.0° |
| H56 | C35 | C36 | H58 | 150.9° | 90.7° |
| H57 | C35 | C36 | H58 | 29.0° | 149.3° |
| H58 | C36 | C37 | H60 | 3.4° | 0.0° |
| H58 | C36 | C37 | H59 | 144.3° | 145.0° |
| H58 | C36 | C38 | H61 | 144.4° | 145.0° |
| H58 | C36 | C38 | H62 | 3.5° | 0.0° |
| H60 | C37 | C38 | H61 | 140.9° | 145.1° |
| H60 | C37 | C38 | H62 | 0.0° | 0.0° |
| H59 | C37 | C38 | H61 | 0.0° | 0.0° |
| H59 | C37 | C38 | H62 | 140.9° | 145.0° |
| H63 | C39 | C40 | H64 | 142.5° | 145.0° |
| H63 | C39 | C40 | H65 | 2.1° | 0.0° |
| H63 | C39 | C41 | H67 | 0.5° | 0.1° |
| H63 | C39 | C41 | H66 | 142.0° | 145.1° |
| H64 | C40 | C41 | H67 | 141.0° | 145.0° |
| H64 | C40 | C41 | H66 | 0.5° | 0.0° |
| H65 | C40 | C41 | H67 | 0.6° | 0.0° |
| H65 | C40 | C41 | H66 | 141.0° | 145.0° |
