3YU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N34 | C33 | doub | 1.31Å | 1.30Å | Aromatic |
| N34 | N35 | sing | 1.28Å | 1.36Å | Aromatic |
| C33 | N27 | sing | 1.35Å | 1.34Å | Aromatic |
| N35 | N36 | doub | 1.29Å | 1.30Å | Aromatic |
| N27 | N36 | sing | 1.41Å | 1.36Å | Aromatic |
| N27 | C26 | sing | 1.40Å | 1.43Å | |
| C26 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| N11 | C12 | sing | 1.37Å | 1.37Å | Aromatic |
| N11 | C3 | sing | 1.35Å | 1.35Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C25 | C29 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C30 | doub | 1.35Å | 1.33Å | |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.50Å | |
| C3 | N14 | doub | 1.30Å | 1.32Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C31 | sing | 1.35Å | 1.35Å | |
| C13 | N14 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | C15 | sing | 1.48Å | 1.48Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| N37 | C17 | sing | 1.37Å | 1.36Å | Aromatic |
| N37 | N38 | sing | 1.40Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | CL1 | sing | 1.74Å | 1.74Å | |
| C30 | C31 | sing | 1.46Å | 1.48Å | |
| C15 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.41Å | 1.41Å | Aromatic |
| C31 | O32 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N38 | C39 | doub | 1.31Å | 1.33Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.38Å | Aromatic |
| C18 | C39 | sing | 1.46Å | 1.47Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C39 | N40 | sing | 1.40Å | 1.35Å | |
| C16 | H52 | sing | 1.08Å | 1.08Å | |
| C19 | H53 | sing | 1.08Å | 1.08Å | |
| C20 | H54 | sing | 1.08Å | 1.08Å | |
| C21 | H55 | sing | 1.08Å | 1.08Å | |
| C22 | H56 | sing | 1.08Å | 1.08Å | |
| C24 | H57 | sing | 1.08Å | 1.08Å | |
| C12 | H51 | sing | 1.08Å | 1.08Å | |
| C33 | H60 | sing | 1.08Å | 1.08Å | |
| N1 | H41 | sing | 0.97Å | 1.00Å | |
| C2 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C4 | H44 | sing | 1.09Å | 1.10Å | |
| C6 | H45 | sing | 1.08Å | 1.08Å | |
| C7 | H46 | sing | 1.08Å | 1.08Å | |
| C8 | H47 | sing | 1.08Å | 1.08Å | |
| C9 | H48 | sing | 1.08Å | 1.08Å | |
| C10 | H49 | sing | 1.08Å | 1.08Å | |
| N11 | H50 | sing | 0.97Å | 1.00Å | |
| C29 | H58 | sing | 1.08Å | 1.08Å | |
| C30 | H59 | sing | 1.08Å | 1.08Å | |
| N37 | H61 | sing | 0.97Å | 1.00Å | |
| N40 | H63 | sing | 0.97Å | 1.00Å | |
| N40 | H62 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | N34 | N35 | 105.4° | 110.6° |
| N34 | C33 | N27 | 110.2° | 107.3° |
| N34 | C33 | H60 | 124.9° | 126.3° |
| N34 | N35 | N36 | 111.0° | 110.2° |
| C33 | N27 | N36 | 106.9° | 105.2° |
| C33 | N27 | C26 | 132.9° | 127.4° |
| N27 | C33 | H60 | 124.9° | 126.4° |
| N35 | N36 | N27 | 106.5° | 106.6° |
| N36 | N27 | C26 | 119.9° | 127.4° |
| N27 | C26 | C21 | 119.2° | 120.2° |
| N27 | C26 | C25 | 120.6° | 120.1° |
| C21 | C26 | C25 | 119.4° | 119.7° |
| C26 | C21 | C22 | 120.8° | 120.1° |
| C26 | C21 | H55 | 119.6° | 119.9° |
| C26 | C25 | C29 | 124.0° | 120.2° |
| C26 | C25 | C24 | 119.2° | 119.5° |
| C21 | C22 | C23 | 119.3° | 120.4° |
| C22 | C21 | H55 | 119.6° | 120.0° |
| C21 | C22 | H56 | 120.4° | 119.8° |
| C12 | N11 | C3 | 108.0° | 107.4° |
| N11 | C12 | C13 | 106.2° | 106.7° |
| N11 | C12 | H51 | 126.9° | 126.7° |
| C12 | N11 | H50 | 126.0° | 126.3° |
| N11 | C3 | C2 | 126.3° | 125.5° |
| N11 | C3 | N14 | 110.4° | 109.0° |
| C3 | N11 | H50 | 125.9° | 126.3° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C6 | C7 | C8 | 120.5° | 120.0° |
| C7 | C6 | H45 | 119.7° | 120.0° |
| C6 | C7 | H46 | 119.8° | 119.9° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | C10 | 118.3° | 120.0° |
| C5 | C6 | H45 | 119.7° | 120.0° |
| C12 | C13 | N14 | 109.1° | 107.7° |
| C12 | C13 | C15 | 130.7° | 126.2° |
| C13 | C12 | H51 | 126.9° | 126.6° |
| C7 | C8 | C9 | 119.7° | 120.0° |
| C8 | C7 | H46 | 119.8° | 120.0° |
| C7 | C8 | H47 | 120.2° | 120.0° |
| C5 | C4 | C2 | 113.7° | 109.5° |
| C4 | C5 | C10 | 121.4° | 120.0° |
| C5 | C4 | H43 | 108.4° | 109.5° |
| C5 | C4 | H44 | 108.4° | 109.4° |
| C4 | C2 | C3 | 111.6° | 109.5° |
| C4 | C2 | N1 | 111.5° | 109.5° |
| C4 | C2 | H42 | 106.1° | 109.5° |
| C2 | C4 | H43 | 108.4° | 109.5° |
| C2 | C4 | H44 | 108.4° | 109.5° |
| C29 | C25 | C24 | 116.7° | 120.2° |
| C25 | C29 | C30 | 124.0° | 120.0° |
| C25 | C29 | H58 | 118.0° | 120.0° |
| C25 | C24 | C23 | 119.9° | 119.9° |
| C25 | C24 | H57 | 120.0° | 120.1° |
| C22 | C23 | C24 | 121.4° | 120.3° |
| C22 | C23 | CL1 | 119.5° | 119.8° |
| C23 | C22 | H56 | 120.4° | 119.8° |
| C29 | C30 | C31 | 129.4° | 120.0° |
| C30 | C29 | H58 | 118.0° | 120.0° |
| C29 | C30 | H59 | 115.3° | 120.0° |
| C5 | C10 | C9 | 121.0° | 120.0° |
| C5 | C10 | H49 | 119.5° | 120.0° |
| C2 | C3 | N14 | 123.3° | 125.5° |
| C3 | C2 | N1 | 113.7° | 109.4° |
| C3 | C2 | H42 | 106.5° | 109.5° |
| C3 | N14 | C13 | 106.3° | 109.2° |
| C2 | N1 | C31 | 119.0° | 120.0° |
| C2 | N1 | H41 | 120.5° | 120.0° |
| N1 | C2 | H42 | 107.0° | 109.5° |
| N1 | C31 | C30 | 116.3° | 120.0° |
| N1 | C31 | O32 | 121.5° | 120.0° |
| C31 | N1 | H41 | 120.5° | 119.9° |
| N14 | C13 | C15 | 120.1° | 126.1° |
| C13 | C15 | C16 | 120.3° | 119.8° |
| C13 | C15 | C20 | 120.1° | 119.8° |
| C15 | C16 | C17 | 119.2° | 119.6° |
| C16 | C15 | C20 | 119.3° | 120.4° |
| C15 | C16 | H52 | 120.4° | 120.2° |
| C16 | C17 | N37 | 131.7° | 133.6° |
| C16 | C17 | C18 | 121.6° | 119.6° |
| C17 | C16 | H52 | 120.4° | 120.2° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C9 | C8 | H47 | 120.1° | 120.0° |
| C8 | C9 | H48 | 120.0° | 120.0° |
| C17 | N37 | N38 | 111.8° | 109.2° |
| N37 | C17 | C18 | 106.7° | 106.8° |
| C17 | N37 | H61 | 124.1° | 125.4° |
| N37 | N38 | C39 | 108.3° | 110.0° |
| N38 | N37 | H61 | 124.1° | 125.4° |
| C24 | C23 | CL1 | 119.0° | 119.9° |
| C23 | C24 | H57 | 120.1° | 120.0° |
| C30 | C31 | O32 | 122.1° | 120.0° |
| C31 | C30 | H59 | 115.3° | 120.0° |
| C15 | C20 | C19 | 121.4° | 120.5° |
| C15 | C20 | H54 | 119.3° | 119.7° |
| C17 | C18 | C39 | 105.3° | 106.3° |
| C17 | C18 | C19 | 118.4° | 120.0° |
| C10 | C9 | H48 | 120.0° | 120.0° |
| C9 | C10 | H49 | 119.5° | 120.0° |
| N38 | C39 | C18 | 107.8° | 107.7° |
| N38 | C39 | N40 | 122.1° | 126.1° |
| C20 | C19 | C18 | 120.1° | 119.9° |
| C20 | C19 | H53 | 119.9° | 120.0° |
| C19 | C20 | H54 | 119.3° | 119.8° |
| C39 | C18 | C19 | 136.3° | 133.7° |
| C18 | C39 | N40 | 130.0° | 126.2° |
| C18 | C19 | H53 | 120.0° | 120.0° |
| C39 | N40 | H63 | 109.5° | 119.9° |
| C39 | N40 | H62 | 109.5° | 120.1° |
| H43 | C4 | H44 | 109.5° | 109.5° |
| H63 | N40 | H62 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N34 | C33 | N27 | H60 | 180.0° | 179.8° |
| C33 | N34 | N35 | N36 | 0.2° | 0.3° |
| N34 | C33 | N27 | N36 | 2.0° | 0.3° |
| N34 | C33 | N27 | C26 | 175.3° | 179.7° |
| N35 | N34 | C33 | N27 | 1.4° | 0.0° |
| N34 | N35 | N36 | N27 | 1.0° | 0.5° |
| N35 | N34 | C33 | H60 | 178.6° | 179.8° |
| C33 | N27 | N36 | N35 | 1.8° | 0.4° |
| C33 | N27 | N36 | C26 | 174.4° | 179.9° |
| C33 | N27 | C26 | C21 | 38.1° | 47.8° |
| C33 | N27 | C26 | C25 | 131.8° | 131.6° |
| N35 | N36 | N27 | C26 | 176.1° | 179.5° |
| N36 | N27 | C26 | C21 | 134.5° | 132.1° |
| N36 | N27 | C26 | C25 | 55.6° | 48.4° |
| N36 | N27 | C33 | H60 | 178.0° | 180.0° |
| N27 | C26 | C21 | C25 | 170.0° | 179.5° |
| N27 | C26 | C21 | C22 | 172.4° | 180.0° |
| N27 | C26 | C25 | C29 | 9.0° | 0.3° |
| N27 | C26 | C25 | C24 | 171.0° | 179.9° |
| N27 | C26 | C21 | H55 | 7.7° | 0.3° |
| C26 | N27 | C33 | H60 | 4.7° | 0.1° |
| C26 | C21 | C22 | H55 | 180.0° | 179.7° |
| C21 | C26 | C25 | C29 | 178.9° | 179.7° |
| C21 | C26 | C25 | C24 | 1.1° | 0.5° |
| C26 | C21 | C22 | C23 | 2.3° | 0.3° |
| C26 | C21 | C22 | H56 | 177.7° | 179.8° |
| C25 | C26 | C21 | C22 | 2.3° | 0.5° |
| C26 | C25 | C29 | C24 | 179.9° | 179.8° |
| C26 | C25 | C29 | C30 | 120.0° | 164.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.2° |
| C25 | C26 | C21 | H55 | 177.7° | 179.8° |
| C26 | C25 | C24 | H57 | 179.8° | 179.7° |
| C26 | C25 | C29 | H58 | 60.1° | 15.0° |
| C21 | C22 | C23 | H56 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.0° | 0.0° |
| C21 | C22 | C23 | CL1 | 177.6° | 180.0° |
| C12 | N11 | C3 | H50 | 180.0° | 179.9° |
| N11 | C12 | C13 | H51 | 180.0° | 180.0° |
| C12 | N11 | C3 | C2 | 179.1° | 180.0° |
| C12 | N11 | C3 | N14 | 0.7° | 0.0° |
| N11 | C12 | C13 | N14 | 1.1° | 0.0° |
| N11 | C12 | C13 | C15 | 177.7° | 180.0° |
| C3 | N11 | C12 | C13 | 1.1° | 0.0° |
| N11 | C3 | C2 | C4 | 62.3° | 124.9° |
| N11 | C3 | C2 | N14 | 178.2° | 180.0° |
| N11 | C3 | C2 | N1 | 64.8° | 4.9° |
| N11 | C3 | N14 | C13 | 0.0° | 0.0° |
| C3 | N11 | C12 | H51 | 178.9° | 180.0° |
| N11 | C3 | C2 | H42 | 177.6° | 115.0° |
| C7 | C6 | C5 | H45 | 180.0° | 180.0° |
| C6 | C7 | C8 | H46 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.7° | 180.0° |
| C7 | C6 | C5 | C10 | 0.3° | 0.2° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C6 | C7 | C8 | H47 | 179.5° | 179.9° |
| C5 | C6 | C7 | C8 | 0.6° | 0.0° |
| C6 | C5 | C4 | C10 | 179.3° | 179.7° |
| C6 | C5 | C4 | C2 | 143.1° | 89.7° |
| C6 | C5 | C10 | C9 | 0.1° | 0.4° |
| C6 | C5 | C4 | H43 | 22.5° | 150.3° |
| C6 | C5 | C4 | H44 | 96.3° | 30.3° |
| C5 | C6 | C7 | H46 | 179.4° | 180.0° |
| C6 | C5 | C10 | H49 | 180.0° | 179.7° |
| C12 | C13 | N14 | C3 | 0.7° | 0.0° |
| C12 | C13 | N14 | C15 | 177.0° | 180.0° |
| C12 | C13 | C15 | C16 | 14.0° | 180.0° |
| C12 | C13 | C15 | C20 | 159.0° | 0.1° |
| C13 | C12 | N11 | H50 | 178.9° | 180.0° |
| C7 | C8 | C9 | H47 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.2° |
| C8 | C7 | C6 | H45 | 179.4° | 180.0° |
| C7 | C8 | C9 | H48 | 179.7° | 180.0° |
| C5 | C4 | C2 | H43 | 120.6° | 120.0° |
| C5 | C4 | C2 | H44 | 120.6° | 120.0° |
| C5 | C4 | C2 | C3 | 60.4° | 175.0° |
| C5 | C4 | C2 | N1 | 171.3° | 65.0° |
| C4 | C5 | C10 | C9 | 179.4° | 179.8° |
| C5 | C4 | C2 | H42 | 55.1° | 55.0° |
| C5 | C4 | H43 | H44 | 118.1° | 120.0° |
| C4 | C5 | C6 | H45 | 0.3° | 0.0° |
| C4 | C5 | C10 | H49 | 0.6° | 0.0° |
| C2 | C4 | C5 | C10 | 37.6° | 90.0° |
| C4 | C2 | C3 | N1 | 127.1° | 120.0° |
| C4 | C2 | C3 | H42 | 115.3° | 120.0° |
| C4 | C2 | C3 | N14 | 115.9° | 55.0° |
| C4 | C2 | N1 | H42 | 115.6° | 120.0° |
| C4 | C2 | N1 | C31 | 157.8° | 84.9° |
| C4 | C2 | N1 | H41 | 22.2° | 95.0° |
| C2 | C4 | H43 | H44 | 118.1° | 120.0° |
| C25 | C29 | C30 | H58 | 180.0° | 179.9° |
| C29 | C25 | C24 | C23 | 179.9° | 180.0° |
| C25 | C29 | C30 | C31 | 179.1° | 180.0° |
| C29 | C25 | C24 | H57 | 0.1° | 0.1° |
| C25 | C29 | C30 | H59 | 0.9° | 0.1° |
| C25 | C24 | C23 | C22 | 0.2° | 0.1° |
| C24 | C25 | C29 | C30 | 60.1° | 15.3° |
| C25 | C24 | C23 | H57 | 180.0° | 179.9° |
| C25 | C24 | C23 | CL1 | 178.9° | 180.0° |
| C24 | C25 | C29 | H58 | 119.9° | 164.8° |
| C22 | C23 | C24 | CL1 | 178.6° | 179.9° |
| C23 | C22 | C21 | H55 | 177.7° | 180.0° |
| C22 | C23 | C24 | H57 | 179.8° | 180.0° |
| C29 | C30 | C31 | N1 | 6.6° | 179.9° |
| C29 | C30 | C31 | H59 | 180.0° | 179.9° |
| C29 | C30 | C31 | O32 | 170.1° | 0.0° |
| C5 | C10 | C9 | C8 | 0.1° | 0.4° |
| C5 | C10 | C9 | H49 | 180.0° | 179.9° |
| C10 | C5 | C4 | H43 | 158.2° | 30.0° |
| C10 | C5 | C4 | H44 | 83.1° | 150.0° |
| C10 | C5 | C6 | H45 | 179.7° | 179.8° |
| C5 | C10 | C9 | H48 | 179.9° | 179.8° |
| C3 | C2 | N1 | H42 | 117.3° | 119.9° |
| C3 | C2 | N1 | C31 | 75.1° | 155.0° |
| C2 | C3 | N14 | C13 | 178.5° | 180.0° |
| C3 | C2 | N1 | H41 | 105.0° | 25.0° |
| C3 | C2 | C4 | H43 | 60.2° | 65.0° |
| C3 | C2 | C4 | H44 | 178.9° | 55.0° |
| C2 | C3 | N11 | H50 | 0.9° | 0.0° |
| N14 | C3 | C2 | N1 | 117.0° | 175.0° |
| C3 | N14 | C13 | C15 | 177.7° | 180.0° |
| N14 | C3 | C2 | H42 | 0.6° | 65.0° |
| N14 | C3 | N11 | H50 | 179.3° | 180.0° |
| C2 | N1 | C31 | H41 | 180.0° | 179.9° |
| C2 | N1 | C31 | C30 | 177.7° | 180.0° |
| C2 | N1 | C31 | O32 | 5.5° | 0.1° |
| N1 | C2 | C4 | H43 | 68.1° | 55.0° |
| N1 | C2 | C4 | H44 | 50.6° | 175.0° |
| N1 | C31 | C30 | O32 | 176.8° | 179.9° |
| C31 | N1 | C2 | H42 | 42.2° | 35.1° |
| N1 | C31 | C30 | H59 | 173.4° | 0.0° |
| N14 | C13 | C15 | C16 | 162.3° | 0.0° |
| N14 | C13 | C15 | C20 | 24.7° | 179.9° |
| N14 | C13 | C12 | H51 | 178.9° | 180.0° |
| C13 | C15 | C16 | C20 | 173.1° | 179.9° |
| C13 | C15 | C16 | C17 | 171.9° | 179.9° |
| C13 | C15 | C20 | C19 | 171.2° | 179.8° |
| C13 | C15 | C16 | H52 | 8.1° | 0.1° |
| C13 | C15 | C20 | H54 | 8.8° | 0.0° |
| C15 | C13 | C12 | H51 | 2.3° | 0.0° |
| C15 | C16 | C17 | H52 | 180.0° | 180.0° |
| C15 | C16 | C17 | N37 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C16 | C15 | C20 | C19 | 1.9° | 0.3° |
| C16 | C15 | C20 | H54 | 178.1° | 180.0° |
| C16 | C17 | N37 | C18 | 179.2° | 180.0° |
| C16 | C17 | N37 | N38 | 177.7° | 180.0° |
| C17 | C16 | C15 | C20 | 1.2° | 0.0° |
| C16 | C17 | C18 | C39 | 177.5° | 180.0° |
| C16 | C17 | C18 | C19 | 3.1° | 0.2° |
| C16 | C17 | N37 | H61 | 2.3° | 0.1° |
| C8 | C9 | C10 | H48 | 180.0° | 179.8° |
| C9 | C8 | C7 | H46 | 179.5° | 180.0° |
| C8 | C9 | C10 | H49 | 180.0° | 179.7° |
| C17 | N37 | N38 | H61 | 180.0° | 179.9° |
| C17 | N37 | N38 | C39 | 0.5° | 0.0° |
| N37 | C17 | C18 | C39 | 1.8° | 0.0° |
| N37 | C17 | C18 | C19 | 177.6° | 179.7° |
| N37 | C17 | C16 | H52 | 0.4° | 0.0° |
| N38 | N37 | C17 | C18 | 1.5° | 0.0° |
| N37 | N38 | C39 | C18 | 0.6° | 0.0° |
| N37 | N38 | C39 | N40 | 178.6° | 179.8° |
| C24 | C23 | C22 | H56 | 179.0° | 179.9° |
| CL1 | C23 | C22 | H56 | 2.4° | 0.0° |
| CL1 | C23 | C24 | H57 | 1.2° | 0.1° |
| C30 | C31 | N1 | H41 | 2.3° | 0.0° |
| C31 | C30 | C29 | H58 | 0.9° | 0.1° |
| C15 | C20 | C19 | H54 | 180.0° | 179.7° |
| C15 | C20 | C19 | C18 | 0.2° | 0.5° |
| C20 | C15 | C16 | H52 | 178.8° | 180.0° |
| C15 | C20 | C19 | H53 | 179.8° | 179.7° |
| C17 | C18 | C39 | N38 | 1.5° | 0.0° |
| C17 | C18 | C19 | C20 | 2.3° | 0.5° |
| C17 | C18 | C39 | C19 | 179.3° | 179.7° |
| C17 | C18 | C39 | N40 | 177.6° | 179.8° |
| C18 | C17 | C16 | H52 | 178.7° | 180.0° |
| C17 | C18 | C19 | H53 | 177.7° | 179.7° |
| C18 | C17 | N37 | H61 | 178.5° | 179.9° |
| O32 | C31 | N1 | H41 | 174.5° | 180.0° |
| O32 | C31 | C30 | H59 | 9.9° | 179.9° |
| C10 | C9 | C8 | H47 | 179.7° | 179.9° |
| N38 | C39 | C18 | N40 | 179.2° | 179.8° |
| N38 | C39 | C18 | C19 | 177.7° | 179.7° |
| C39 | N38 | N37 | H61 | 179.5° | 179.9° |
| N38 | C39 | N40 | H63 | 0.0° | 179.7° |
| N38 | C39 | N40 | H62 | 120.0° | 0.2° |
| C20 | C19 | C18 | C39 | 178.5° | 179.9° |
| C20 | C19 | C18 | H53 | 180.0° | 179.8° |
| C39 | C18 | C19 | H53 | 1.5° | 0.1° |
| C18 | C39 | N40 | H63 | 179.1° | 0.1° |
| C18 | C39 | N40 | H62 | 60.9° | 180.0° |
| C19 | C18 | C39 | N40 | 3.1° | 0.1° |
| C18 | C19 | C20 | H54 | 179.9° | 179.7° |
| C39 | N40 | H63 | H62 | 120.0° | 179.9° |
| H53 | C19 | C20 | H54 | 0.2° | 0.0° |
| H55 | C21 | C22 | H56 | 2.3° | 0.1° |
| H51 | C12 | N11 | H50 | 1.1° | 0.1° |
| H41 | N1 | C2 | H42 | 137.8° | 145.0° |
| H42 | C2 | C4 | H43 | 175.8° | 175.0° |
| H42 | C2 | C4 | H44 | 65.5° | 65.0° |
| H45 | C6 | C7 | H46 | 0.6° | 0.0° |
| H46 | C7 | C8 | H47 | 0.5° | 0.0° |
| H47 | C8 | C9 | H48 | 0.3° | 0.0° |
| H48 | C9 | C10 | H49 | 0.0° | 0.1° |
| H58 | C29 | C30 | H59 | 179.1° | 180.0° |
