X7X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.50Å | 1.52Å | |
| N1 | C3 | sing | 1.49Å | 1.50Å | |
| N1 | C11 | sing | 1.35Å | 1.37Å | |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | sing | 1.49Å | 1.55Å | |
| C4 | C5 | sing | 1.58Å | 1.57Å | |
| C4 | C8 | sing | 1.49Å | 1.50Å | |
| C5 | C6 | sing | 1.51Å | 1.55Å | |
| C6 | N7 | sing | 1.50Å | 1.47Å | |
| N7 | C8 | sing | 1.49Å | 1.51Å | |
| N7 | C22 | sing | 1.35Å | 1.36Å | |
| C11 | C12 | sing | 1.48Å | 1.46Å | |
| C11 | O13 | doub | 1.22Å | 1.21Å | |
| C12 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.45Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.46Å | Aromatic |
| C17 | N21 | sing | 1.35Å | 1.39Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.41Å | Aromatic |
| N19 | N20 | sing | 1.40Å | 1.35Å | Aromatic |
| N20 | N21 | doub | 1.29Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.50Å | |
| C22 | O24 | doub | 1.21Å | 1.23Å | |
| C23 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C23 | C29 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.36Å | Aromatic |
| C26 | N27 | doub | 1.32Å | 1.38Å | Aromatic |
| C26 | C30 | sing | 1.51Å | 1.47Å | |
| N27 | C28 | sing | 1.32Å | 1.37Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | O33 | sing | 1.36Å | 1.42Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| O33 | C34 | sing | 1.43Å | 1.41Å | |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.56Å | |
| C35 | C40 | sing | 1.53Å | 1.55Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C37 | O38 | sing | 1.43Å | 1.46Å | |
| O38 | C39 | sing | 1.43Å | 1.43Å | |
| C39 | C40 | sing | 1.53Å | 1.55Å | |
| C15 | H50 | sing | 1.08Å | 1.08Å | |
| C16 | H51 | sing | 1.08Å | 1.08Å | |
| C25 | H53 | sing | 1.08Å | 1.08Å | |
| C2 | H41 | sing | 1.09Å | 1.10Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.09Å | 1.10Å | |
| C6 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H48 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C14 | H49 | sing | 1.08Å | 1.08Å | |
| N19 | H52 | sing | 0.97Å | 1.00Å | |
| C29 | H54 | sing | 1.08Å | 1.08Å | |
| C30 | H55 | sing | 1.09Å | 1.10Å | |
| C31 | H57 | sing | 1.09Å | 1.10Å | |
| C31 | H56 | sing | 1.09Å | 1.10Å | |
| C32 | H59 | sing | 1.09Å | 1.10Å | |
| C32 | H58 | sing | 1.09Å | 1.10Å | |
| C34 | H61 | sing | 1.09Å | 1.10Å | |
| C34 | H60 | sing | 1.09Å | 1.10Å | |
| C35 | H62 | sing | 1.09Å | 1.10Å | |
| C36 | H64 | sing | 1.09Å | 1.10Å | |
| C36 | H63 | sing | 1.09Å | 1.10Å | |
| C37 | H65 | sing | 1.09Å | 1.10Å | |
| C37 | H66 | sing | 1.09Å | 1.10Å | |
| C39 | H68 | sing | 1.09Å | 1.10Å | |
| C39 | H67 | sing | 1.09Å | 1.10Å | |
| C40 | H70 | sing | 1.09Å | 1.10Å | |
| C40 | H69 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 113.1° | 107.8° |
| C2 | N1 | C11 | 119.4° | 126.1° |
| N1 | C2 | C5 | 98.5° | 102.4° |
| N1 | C2 | H41 | 112.2° | 110.8° |
| N1 | C2 | H42 | 112.1° | 110.8° |
| C3 | N1 | C11 | 127.5° | 126.2° |
| N1 | C3 | C4 | 96.5° | 104.6° |
| N1 | C3 | H44 | 112.6° | 110.4° |
| N1 | C3 | H43 | 112.6° | 110.4° |
| N1 | C11 | C12 | 121.1° | 120.0° |
| N1 | C11 | O13 | 118.6° | 120.0° |
| C2 | C5 | C4 | 97.1° | 97.8° |
| C2 | C5 | C6 | 125.1° | 124.2° |
| C5 | C2 | H41 | 112.2° | 110.9° |
| C5 | C2 | H42 | 112.2° | 110.8° |
| C2 | C5 | H9 | 109.5° | 111.2° |
| C3 | C4 | C5 | 100.8° | 100.6° |
| C3 | C4 | C8 | 125.6° | 129.2° |
| C4 | C3 | H44 | 112.6° | 110.4° |
| C4 | C3 | H43 | 112.6° | 110.4° |
| C3 | C4 | H10 | 109.2° | 108.6° |
| C5 | C4 | C8 | 100.4° | 100.7° |
| C4 | C5 | C6 | 105.7° | 97.8° |
| C5 | C4 | H10 | 109.1° | 107.6° |
| C4 | C5 | H9 | 108.8° | 111.9° |
| C4 | C8 | N7 | 102.1° | 104.6° |
| C8 | C4 | H10 | 110.0° | 107.9° |
| C4 | C8 | H48 | 111.3° | 110.4° |
| C4 | C8 | H47 | 111.3° | 110.4° |
| C5 | C6 | N7 | 100.2° | 102.4° |
| C6 | C5 | H9 | 109.0° | 111.6° |
| C5 | C6 | H45 | 111.8° | 110.8° |
| C5 | C6 | H46 | 111.8° | 110.8° |
| C6 | N7 | C8 | 113.7° | 107.7° |
| C6 | N7 | C22 | 119.8° | 126.1° |
| N7 | C6 | H45 | 111.7° | 110.8° |
| N7 | C6 | H46 | 111.7° | 110.8° |
| C8 | N7 | C22 | 123.5° | 126.1° |
| N7 | C8 | H48 | 111.3° | 110.4° |
| N7 | C8 | H47 | 111.3° | 110.4° |
| N7 | C22 | C23 | 119.0° | 120.0° |
| N7 | C22 | O24 | 120.5° | 120.0° |
| C12 | C11 | O13 | 120.3° | 120.0° |
| C11 | C12 | C14 | 114.0° | 119.9° |
| C11 | C12 | C16 | 122.1° | 119.9° |
| C14 | C12 | C16 | 123.8° | 120.2° |
| C12 | C14 | C15 | 121.3° | 120.5° |
| C12 | C14 | H49 | 119.4° | 119.7° |
| C12 | C16 | C17 | 114.5° | 119.6° |
| C12 | C16 | H51 | 122.7° | 120.3° |
| C14 | C15 | C18 | 119.0° | 120.1° |
| C14 | C15 | H50 | 120.5° | 119.9° |
| C15 | C14 | H49 | 119.3° | 119.8° |
| C15 | C18 | C17 | 119.9° | 120.2° |
| C15 | C18 | N19 | 132.8° | 133.7° |
| C18 | C15 | H50 | 120.5° | 119.9° |
| C16 | C17 | C18 | 121.5° | 119.4° |
| C16 | C17 | N21 | 132.6° | 133.1° |
| C17 | C16 | H51 | 122.7° | 120.2° |
| C18 | C17 | N21 | 105.8° | 107.6° |
| C17 | C18 | N19 | 107.2° | 106.1° |
| C17 | N21 | N20 | 107.6° | 110.2° |
| C18 | N19 | N20 | 105.6° | 106.7° |
| C18 | N19 | H52 | 127.2° | 126.7° |
| N19 | N20 | N21 | 113.7° | 109.5° |
| N20 | N19 | H52 | 127.2° | 126.6° |
| C23 | C22 | O24 | 120.5° | 120.0° |
| C22 | C23 | C25 | 114.8° | 120.9° |
| C22 | C23 | C29 | 122.7° | 120.9° |
| C25 | C23 | C29 | 122.5° | 118.2° |
| C23 | C25 | C26 | 116.3° | 119.2° |
| C23 | C25 | H53 | 121.9° | 120.4° |
| C23 | C29 | C28 | 116.1° | 118.9° |
| C23 | C29 | H54 | 121.9° | 120.5° |
| C25 | C26 | N27 | 123.8° | 121.0° |
| C25 | C26 | C30 | 120.3° | 119.5° |
| C26 | C25 | H53 | 121.8° | 120.4° |
| N27 | C26 | C30 | 115.8° | 119.5° |
| C26 | N27 | C28 | 118.3° | 122.0° |
| C26 | C30 | C31 | 114.9° | 117.5° |
| C26 | C30 | C32 | 120.7° | 117.5° |
| C26 | C30 | H55 | 116.9° | 115.6° |
| N27 | C28 | C29 | 123.0° | 120.8° |
| N27 | C28 | O33 | 120.3° | 119.6° |
| C29 | C28 | O33 | 116.5° | 119.6° |
| C28 | C29 | H54 | 122.0° | 120.6° |
| C28 | O33 | C34 | 114.8° | 117.0° |
| C31 | C30 | C32 | 60.0° | 60.0° |
| C30 | C31 | C32 | 60.0° | 60.0° |
| C31 | C30 | H55 | 115.9° | 117.5° |
| C30 | C31 | H57 | 120.0° | 117.5° |
| C30 | C31 | H56 | 120.0° | 117.5° |
| C30 | C32 | C31 | 60.0° | 60.0° |
| C32 | C30 | H55 | 115.9° | 117.5° |
| C30 | C32 | H59 | 120.0° | 117.5° |
| C30 | C32 | H58 | 120.0° | 117.5° |
| C32 | C31 | H57 | 120.0° | 117.5° |
| C32 | C31 | H56 | 120.0° | 117.5° |
| C31 | C32 | H59 | 120.0° | 117.5° |
| C31 | C32 | H58 | 120.0° | 117.4° |
| O33 | C34 | C35 | 106.4° | 109.5° |
| O33 | C34 | H61 | 110.2° | 109.4° |
| O33 | C34 | H60 | 110.2° | 109.5° |
| C34 | C35 | C36 | 104.6° | 109.5° |
| C34 | C35 | C40 | 111.1° | 109.5° |
| C35 | C34 | H61 | 110.2° | 109.5° |
| C35 | C34 | H60 | 110.2° | 109.5° |
| C34 | C35 | H62 | 111.1° | 109.5° |
| C36 | C35 | C40 | 109.4° | 109.1° |
| C35 | C36 | C37 | 105.9° | 109.1° |
| C36 | C35 | H62 | 110.2° | 109.6° |
| C35 | C36 | H64 | 110.3° | 109.5° |
| C35 | C36 | H63 | 110.3° | 109.6° |
| C35 | C40 | C39 | 111.5° | 109.1° |
| C40 | C35 | H62 | 110.3° | 109.6° |
| C35 | C40 | H70 | 108.9° | 109.5° |
| C35 | C40 | H69 | 108.9° | 109.6° |
| C36 | C37 | O38 | 108.1° | 109.4° |
| C37 | C36 | H64 | 110.3° | 109.5° |
| C37 | C36 | H63 | 110.4° | 109.5° |
| C36 | C37 | H65 | 109.8° | 109.5° |
| C36 | C37 | H66 | 109.8° | 109.5° |
| C37 | O38 | C39 | 116.4° | 114.1° |
| O38 | C37 | H65 | 109.8° | 109.5° |
| O38 | C37 | H66 | 109.8° | 109.5° |
| O38 | C39 | C40 | 113.2° | 109.4° |
| O38 | C39 | H68 | 108.5° | 109.5° |
| O38 | C39 | H67 | 108.6° | 109.5° |
| C40 | C39 | H68 | 108.5° | 109.5° |
| C40 | C39 | H67 | 108.5° | 109.5° |
| C39 | C40 | H70 | 109.0° | 109.5° |
| C39 | C40 | H69 | 109.0° | 109.5° |
| H41 | C2 | H42 | 109.4° | 110.9° |
| H44 | C3 | H43 | 109.5° | 110.5° |
| H45 | C6 | H46 | 109.4° | 110.9° |
| H48 | C8 | H47 | 109.5° | 110.5° |
| H57 | C31 | H56 | 109.5° | 115.6° |
| H59 | C32 | H58 | 109.5° | 115.6° |
| H61 | C34 | H60 | 109.5° | 109.4° |
| H64 | C36 | H63 | 109.5° | 109.5° |
| H65 | C37 | H66 | 109.5° | 109.5° |
| H68 | C39 | H67 | 109.5° | 109.5° |
| H70 | C40 | H69 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | C11 | 179.7° | 179.7° |
| N1 | C2 | C5 | H41 | 118.2° | 118.2° |
| N1 | C2 | C5 | H42 | 118.2° | 118.2° |
| C2 | N1 | C3 | C4 | 12.4° | 6.8° |
| N1 | C2 | C5 | C4 | 47.3° | 45.6° |
| N1 | C2 | C5 | C6 | 162.2° | 150.6° |
| C2 | N1 | C11 | C12 | 179.2° | 175.1° |
| C2 | N1 | C11 | O13 | 1.9° | 4.7° |
| N1 | C2 | H41 | H42 | 125.1° | 123.5° |
| C2 | N1 | C3 | H44 | 130.2° | 125.5° |
| C2 | N1 | C3 | H43 | 105.4° | 112.0° |
| N1 | C2 | C5 | H9 | 65.5° | 71.5° |
| C3 | N1 | C2 | C5 | 23.1° | 25.8° |
| N1 | C3 | C4 | H44 | 117.8° | 118.7° |
| N1 | C3 | C4 | H43 | 117.8° | 118.8° |
| N1 | C3 | C4 | C5 | 42.0° | 35.0° |
| N1 | C3 | C4 | C8 | 153.2° | 148.4° |
| C3 | N1 | C11 | C12 | 0.5° | 4.5° |
| C3 | N1 | C11 | O13 | 178.3° | 175.7° |
| C3 | N1 | C2 | H41 | 141.3° | 144.1° |
| C3 | N1 | C2 | H42 | 95.1° | 92.4° |
| N1 | C3 | H44 | H43 | 126.1° | 122.4° |
| N1 | C3 | C4 | H10 | 72.8° | 77.7° |
| C11 | N1 | C2 | C5 | 157.1° | 154.5° |
| C11 | N1 | C3 | C4 | 167.3° | 172.9° |
| N1 | C11 | C12 | O13 | 178.9° | 179.8° |
| N1 | C11 | C12 | C14 | 55.0° | 25.2° |
| N1 | C11 | C12 | C16 | 122.7° | 155.3° |
| C11 | N1 | C2 | H41 | 39.0° | 36.2° |
| C11 | N1 | C2 | H42 | 84.7° | 87.3° |
| C11 | N1 | C3 | H44 | 49.6° | 54.1° |
| C11 | N1 | C3 | H43 | 74.8° | 68.3° |
| C2 | C5 | C4 | C3 | 58.7° | 50.1° |
| C2 | C5 | C4 | C6 | 129.6° | 126.2° |
| C2 | C5 | C4 | H9 | 113.5° | 116.7° |
| C2 | C5 | C4 | C8 | 171.7° | 176.3° |
| C2 | C5 | C6 | H9 | 132.5° | 137.8° |
| C2 | C5 | C6 | N7 | 138.4° | 150.6° |
| C5 | C2 | H41 | H42 | 125.2° | 123.5° |
| C2 | C5 | C4 | H10 | 56.2° | 63.5° |
| C2 | C5 | C6 | H45 | 103.1° | 91.2° |
| C2 | C5 | C6 | H46 | 19.9° | 32.4° |
| C3 | C4 | C5 | C8 | 129.6° | 133.6° |
| C3 | C4 | C5 | H10 | 114.9° | 113.6° |
| C3 | C4 | C8 | H10 | 133.8° | 134.1° |
| C3 | C4 | C5 | C6 | 171.7° | 176.3° |
| C3 | C4 | C8 | N7 | 149.0° | 148.4° |
| C4 | C3 | H44 | H43 | 126.1° | 122.4° |
| C3 | C4 | C5 | H9 | 54.8° | 66.6° |
| C3 | C4 | C8 | H48 | 92.1° | 92.9° |
| C3 | C4 | C8 | H47 | 30.2° | 29.7° |
| C5 | C4 | C8 | H10 | 114.8° | 112.6° |
| C4 | C5 | C6 | H9 | 116.8° | 117.3° |
| C4 | C5 | C6 | N7 | 27.7° | 45.6° |
| C5 | C4 | C8 | N7 | 37.6° | 35.0° |
| C4 | C5 | C2 | H41 | 165.5° | 163.9° |
| C4 | C5 | C2 | H42 | 70.9° | 72.6° |
| C5 | C4 | C3 | H44 | 159.8° | 153.8° |
| C5 | C4 | C3 | H43 | 75.9° | 83.8° |
| C4 | C5 | C6 | H45 | 146.1° | 163.9° |
| C4 | C5 | C6 | H46 | 90.8° | 72.6° |
| C5 | C4 | C8 | H48 | 156.5° | 153.8° |
| C5 | C4 | C8 | H47 | 81.2° | 83.7° |
| C8 | C4 | C5 | C6 | 42.1° | 50.1° |
| C4 | C8 | N7 | C6 | 22.9° | 6.8° |
| C4 | C8 | N7 | H48 | 118.8° | 118.8° |
| C4 | C8 | N7 | H47 | 118.8° | 118.8° |
| C4 | C8 | N7 | C22 | 177.1° | 173.2° |
| C8 | C4 | C3 | H44 | 89.0° | 92.9° |
| C8 | C4 | C3 | H43 | 35.4° | 29.6° |
| C8 | C4 | C5 | H9 | 74.8° | 67.0° |
| C4 | C8 | H48 | H47 | 123.4° | 122.5° |
| C5 | C6 | N7 | H45 | 118.5° | 118.2° |
| C5 | C6 | N7 | H46 | 118.5° | 118.2° |
| C5 | C6 | N7 | C8 | 3.4° | 25.8° |
| C5 | C6 | N7 | C22 | 157.5° | 154.2° |
| C6 | C5 | C2 | H41 | 79.6° | 91.2° |
| C6 | C5 | C2 | H42 | 44.0° | 32.4° |
| C6 | C5 | C4 | H10 | 73.4° | 62.8° |
| C5 | C6 | H45 | H46 | 124.3° | 123.4° |
| C6 | N7 | C8 | C22 | 160.1° | 180.0° |
| C6 | N7 | C22 | C23 | 173.5° | 174.4° |
| C6 | N7 | C22 | O24 | 6.1° | 5.6° |
| N7 | C6 | C5 | H9 | 89.1° | 71.7° |
| N7 | C6 | H45 | H46 | 124.3° | 123.5° |
| C6 | N7 | C8 | H48 | 141.7° | 125.6° |
| C6 | N7 | C8 | H47 | 95.9° | 112.0° |
| C8 | N7 | C22 | C23 | 27.5° | 5.6° |
| C8 | N7 | C22 | O24 | 152.8° | 174.3° |
| N7 | C8 | C4 | H10 | 77.2° | 77.5° |
| C8 | N7 | C6 | H45 | 121.9° | 144.0° |
| C8 | N7 | C6 | H46 | 115.1° | 92.4° |
| N7 | C8 | H48 | H47 | 123.4° | 122.4° |
| N7 | C22 | C23 | O24 | 179.6° | 180.0° |
| N7 | C22 | C23 | C25 | 57.8° | 170.6° |
| N7 | C22 | C23 | C29 | 123.8° | 9.1° |
| C22 | N7 | C6 | H45 | 39.0° | 35.9° |
| C22 | N7 | C6 | H46 | 84.0° | 87.7° |
| C22 | N7 | C8 | H48 | 58.2° | 54.5° |
| C22 | N7 | C8 | H47 | 64.2° | 68.0° |
| C11 | C12 | C14 | C16 | 177.6° | 179.5° |
| C11 | C12 | C14 | C15 | 177.3° | 179.9° |
| C11 | C12 | C16 | C17 | 177.4° | 179.7° |
| C11 | C12 | C16 | H51 | 2.6° | 0.2° |
| C11 | C12 | C14 | H49 | 2.6° | 0.0° |
| O13 | C11 | C12 | C14 | 123.9° | 155.1° |
| O13 | C11 | C12 | C16 | 58.4° | 24.4° |
| C12 | C14 | C15 | H49 | 180.0° | 179.9° |
| C12 | C14 | C15 | C18 | 1.1° | 0.1° |
| C14 | C12 | C16 | C17 | 0.0° | 0.8° |
| C12 | C14 | C15 | H50 | 178.9° | 179.7° |
| C14 | C12 | C16 | H51 | 179.9° | 179.7° |
| C16 | C12 | C14 | C15 | 0.3° | 0.6° |
| C12 | C16 | C17 | H51 | 180.0° | 179.6° |
| C12 | C16 | C17 | C18 | 0.6° | 0.5° |
| C12 | C16 | C17 | N21 | 177.2° | 179.5° |
| C16 | C12 | C14 | H49 | 179.7° | 179.5° |
| C14 | C15 | C18 | H50 | 180.0° | 179.8° |
| C14 | C15 | C18 | C17 | 1.7° | 0.2° |
| C14 | C15 | C18 | N19 | 175.4° | 179.8° |
| C15 | C18 | C17 | C16 | 1.5° | 0.0° |
| C15 | C18 | C17 | N19 | 177.7° | 180.0° |
| C15 | C18 | C17 | N21 | 178.8° | 180.0° |
| C15 | C18 | N19 | N20 | 177.9° | 180.0° |
| C18 | C15 | C14 | H49 | 178.9° | 180.0° |
| C15 | C18 | N19 | H52 | 2.0° | 0.1° |
| C16 | C17 | C18 | N21 | 177.4° | 180.0° |
| C16 | C17 | C18 | N19 | 176.2° | 180.0° |
| C16 | C17 | N21 | N20 | 175.8° | 180.0° |
| C17 | C18 | N19 | N20 | 0.6° | 0.0° |
| C18 | C17 | N21 | N20 | 1.2° | 0.0° |
| C17 | C18 | C15 | H50 | 178.3° | 180.0° |
| C18 | C17 | C16 | H51 | 179.4° | 180.0° |
| C17 | C18 | N19 | H52 | 179.3° | 179.9° |
| N21 | C17 | C18 | N19 | 1.1° | 0.0° |
| C17 | N21 | N20 | N19 | 0.9° | 0.0° |
| N21 | C17 | C16 | H51 | 2.8° | 0.0° |
| C18 | N19 | N20 | H52 | 180.0° | 179.9° |
| C18 | N19 | N20 | N21 | 0.1° | 0.0° |
| N19 | C18 | C15 | H50 | 4.7° | 0.0° |
| N21 | N20 | N19 | H52 | 179.9° | 179.9° |
| C22 | C23 | C25 | C29 | 178.4° | 179.7° |
| C22 | C23 | C25 | C26 | 177.1° | 180.0° |
| C22 | C23 | C29 | C28 | 177.4° | 179.8° |
| C22 | C23 | C25 | H53 | 2.9° | 0.1° |
| C22 | C23 | C29 | H54 | 2.6° | 0.0° |
| O24 | C22 | C23 | C25 | 121.9° | 9.4° |
| O24 | C22 | C23 | C29 | 56.5° | 170.9° |
| C23 | C25 | C26 | H53 | 180.0° | 180.0° |
| C23 | C25 | C26 | N27 | 0.1° | 0.0° |
| C23 | C25 | C26 | C30 | 178.8° | 180.0° |
| C25 | C23 | C29 | C28 | 0.9° | 0.5° |
| C25 | C23 | C29 | H54 | 179.2° | 179.7° |
| C29 | C23 | C25 | C26 | 1.3° | 0.3° |
| C23 | C29 | C28 | N27 | 0.8° | 0.5° |
| C23 | C29 | C28 | H54 | 180.0° | 179.7° |
| C23 | C29 | C28 | O33 | 173.8° | 180.0° |
| C29 | C23 | C25 | H53 | 178.7° | 179.8° |
| C25 | C26 | N27 | C30 | 178.7° | 180.0° |
| C25 | C26 | N27 | C28 | 1.5° | 0.0° |
| C25 | C26 | C30 | C31 | 149.1° | 85.0° |
| C25 | C26 | C30 | C32 | 142.2° | 16.4° |
| C25 | C26 | C30 | H55 | 8.2° | 129.3° |
| C26 | N27 | C28 | C29 | 2.0° | 0.3° |
| C26 | N27 | C28 | O33 | 172.4° | 179.8° |
| N27 | C26 | C30 | C31 | 29.6° | 95.0° |
| N27 | C26 | C30 | C32 | 39.0° | 163.6° |
| N27 | C26 | C25 | H53 | 179.9° | 180.0° |
| N27 | C26 | C30 | H55 | 170.5° | 50.7° |
| C30 | C26 | N27 | C28 | 177.2° | 180.0° |
| C26 | C30 | C31 | C32 | 112.4° | 107.5° |
| C26 | C30 | C31 | H55 | 141.3° | 145.0° |
| C26 | C30 | C32 | H55 | 150.8° | 145.0° |
| C30 | C26 | C25 | H53 | 1.2° | 0.0° |
| C26 | C30 | C31 | H57 | 138.1° | 145.0° |
| C26 | C30 | C31 | H56 | 2.9° | 0.0° |
| C26 | C30 | C32 | H59 | 6.5° | 0.0° |
| C26 | C30 | C32 | H58 | 147.6° | 145.1° |
| N27 | C28 | C29 | O33 | 174.6° | 179.5° |
| N27 | C28 | O33 | C34 | 7.2° | 0.5° |
| N27 | C28 | C29 | H54 | 179.2° | 179.7° |
| C29 | C28 | O33 | C34 | 178.0° | 180.0° |
| C28 | O33 | C34 | C35 | 173.9° | 180.0° |
| O33 | C28 | C29 | H54 | 6.2° | 0.2° |
| C28 | O33 | C34 | H61 | 54.3° | 60.0° |
| C28 | O33 | C34 | H60 | 66.6° | 59.9° |
| C31 | C30 | C32 | H55 | 106.3° | 107.5° |
| C30 | C31 | C32 | H57 | 109.5° | 107.4° |
| C30 | C31 | C32 | H56 | 109.4° | 107.5° |
| C30 | C31 | H57 | H56 | 144.7° | 145.6° |
| C31 | C30 | C32 | H59 | 109.5° | 107.5° |
| C31 | C30 | C32 | H58 | 109.5° | 107.4° |
| C30 | C32 | H59 | H58 | 144.7° | 145.8° |
| C32 | C31 | H57 | H56 | 144.8° | 145.8° |
| C31 | C32 | H59 | H58 | 144.8° | 145.6° |
| O33 | C34 | C35 | H61 | 119.5° | 120.0° |
| O33 | C34 | C35 | H60 | 119.5° | 120.0° |
| O33 | C34 | C35 | C36 | 176.1° | 175.0° |
| O33 | C34 | C35 | C40 | 66.0° | 65.5° |
| O33 | C34 | H61 | H60 | 121.4° | 120.0° |
| O33 | C34 | C35 | H62 | 57.2° | 54.8° |
| C34 | C35 | C36 | C40 | 119.1° | 119.8° |
| C34 | C35 | C36 | H62 | 119.5° | 120.2° |
| C34 | C35 | C40 | H62 | 123.7° | 120.2° |
| C34 | C35 | C36 | C37 | 178.9° | 176.8° |
| C34 | C35 | C40 | C39 | 166.9° | 176.8° |
| C35 | C34 | H61 | H60 | 121.4° | 120.1° |
| C34 | C35 | C36 | H64 | 59.5° | 63.3° |
| C34 | C35 | C36 | H63 | 61.6° | 56.9° |
| C34 | C35 | C40 | H70 | 46.6° | 56.9° |
| C34 | C35 | C40 | H69 | 72.8° | 63.3° |
| C36 | C35 | C40 | H62 | 121.3° | 120.0° |
| C35 | C36 | C37 | H64 | 119.4° | 119.9° |
| C35 | C36 | C37 | H63 | 119.4° | 119.9° |
| C35 | C36 | C37 | O38 | 64.7° | 57.6° |
| C36 | C35 | C40 | C39 | 52.0° | 57.0° |
| C36 | C35 | C34 | H61 | 56.5° | 55.0° |
| C36 | C35 | C34 | H60 | 64.4° | 65.0° |
| C35 | C36 | H64 | H63 | 121.6° | 120.2° |
| C35 | C36 | C37 | H65 | 55.1° | 62.4° |
| C35 | C36 | C37 | H66 | 175.5° | 177.6° |
| C36 | C35 | C40 | H70 | 68.4° | 62.9° |
| C36 | C35 | C40 | H69 | 172.3° | 176.9° |
| C40 | C35 | C36 | C37 | 61.9° | 57.0° |
| C35 | C40 | C39 | O38 | 44.4° | 57.6° |
| C35 | C40 | C39 | H70 | 120.3° | 119.9° |
| C35 | C40 | C39 | H69 | 120.3° | 120.0° |
| C40 | C35 | C34 | H61 | 174.4° | 174.6° |
| C40 | C35 | C34 | H60 | 53.5° | 54.6° |
| C40 | C35 | C36 | H64 | 178.6° | 176.9° |
| C40 | C35 | C36 | H63 | 57.5° | 62.9° |
| C35 | C40 | C39 | H68 | 76.1° | 62.4° |
| C35 | C40 | C39 | H67 | 165.0° | 177.6° |
| C35 | C40 | H70 | H69 | 119.0° | 120.2° |
| C36 | C37 | O38 | H65 | 119.8° | 120.0° |
| C36 | C37 | O38 | H66 | 119.8° | 120.0° |
| C36 | C37 | O38 | C39 | 61.2° | 61.2° |
| C37 | C36 | C35 | H62 | 59.4° | 63.0° |
| C37 | C36 | H64 | H63 | 121.7° | 120.1° |
| C36 | C37 | H65 | H66 | 120.6° | 120.0° |
| C37 | O38 | C39 | C40 | 50.3° | 61.2° |
| O38 | C37 | C36 | H64 | 175.9° | 177.6° |
| O38 | C37 | C36 | H63 | 54.7° | 62.3° |
| O38 | C37 | H65 | H66 | 120.7° | 120.0° |
| C37 | O38 | C39 | H68 | 70.3° | 58.8° |
| C37 | O38 | C39 | H67 | 170.8° | 178.8° |
| O38 | C39 | C40 | H68 | 120.5° | 120.0° |
| O38 | C39 | C40 | H67 | 120.6° | 120.0° |
| C39 | O38 | C37 | H65 | 58.6° | 58.8° |
| C39 | O38 | C37 | H66 | 179.1° | 178.8° |
| O38 | C39 | H68 | H67 | 118.3° | 120.0° |
| O38 | C39 | C40 | H70 | 75.8° | 62.3° |
| O38 | C39 | C40 | H69 | 164.7° | 177.6° |
| C39 | C40 | C35 | H62 | 69.4° | 63.0° |
| C40 | C39 | H68 | H67 | 118.3° | 120.1° |
| C39 | C40 | H70 | H69 | 119.1° | 120.1° |
| H50 | C15 | C14 | H49 | 1.1° | 0.2° |
| H41 | C2 | C5 | H9 | 52.6° | 46.7° |
| H42 | C2 | C5 | H9 | 176.3° | 170.3° |
| H44 | C3 | C4 | H10 | 45.0° | 41.0° |
| H43 | C3 | C4 | H10 | 169.4° | 163.5° |
| H10 | C4 | C5 | H9 | 169.7° | 179.9° |
| H10 | C4 | C8 | H48 | 41.6° | 41.2° |
| H10 | C4 | C8 | H47 | 164.0° | 163.8° |
| H9 | C5 | C6 | H45 | 29.4° | 46.6° |
| H9 | C5 | C6 | H46 | 152.4° | 170.1° |
| H55 | C30 | C31 | H57 | 3.2° | 0.0° |
| H55 | C30 | C31 | H56 | 144.3° | 145.0° |
| H55 | C30 | C32 | H59 | 144.3° | 145.0° |
| H55 | C30 | C32 | H58 | 3.2° | 0.1° |
| H57 | C31 | C32 | H59 | 141.1° | 145.0° |
| H57 | C31 | C32 | H58 | 0.0° | 0.1° |
| H56 | C31 | C32 | H59 | 0.0° | 0.0° |
| H56 | C31 | C32 | H58 | 141.1° | 145.0° |
| H61 | C34 | C35 | H62 | 62.3° | 65.2° |
| H60 | C34 | C35 | H62 | 176.8° | 174.8° |
| H62 | C35 | C36 | H64 | 60.0° | 56.9° |
| H62 | C35 | C36 | H63 | 178.9° | 177.1° |
| H62 | C35 | C40 | H70 | 170.3° | 177.2° |
| H62 | C35 | C40 | H69 | 51.0° | 56.9° |
| H64 | C36 | C37 | H65 | 64.3° | 57.5° |
| H64 | C36 | C37 | H66 | 56.1° | 62.5° |
| H63 | C36 | C37 | H65 | 174.5° | 177.7° |
| H63 | C36 | C37 | H66 | 65.0° | 57.7° |
| H68 | C39 | C40 | H70 | 163.6° | 177.7° |
| H68 | C39 | C40 | H69 | 44.2° | 57.6° |
| H67 | C39 | C40 | H70 | 44.7° | 57.7° |
| H67 | C39 | C40 | H69 | 74.7° | 62.4° |
