A1DAK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.46Å | 1.47Å | |
| N1 | C23 | sing | 1.35Å | 1.34Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | N6 | sing | 1.35Å | 1.34Å | |
| C3 | O7 | doub | 1.21Å | 1.24Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C5 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C8 | sing | 1.47Å | 1.43Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | N12 | sing | 1.35Å | 1.34Å | |
| C9 | O13 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | C14 | sing | 1.46Å | 1.46Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C15 | N26 | doub | 1.28Å | 1.26Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.55Å | 1.54Å | |
| C17 | C21 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.55Å | 1.54Å | |
| C19 | N20 | sing | 1.47Å | 1.46Å | |
| N20 | C21 | sing | 1.34Å | 1.35Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | O25 | doub | 1.21Å | 1.21Å | |
| C24 | F37 | sing | 1.40Å | 1.36Å | |
| C24 | F38 | sing | 1.40Å | 1.36Å | |
| C24 | F39 | sing | 1.40Å | 1.36Å | |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | H47 | sing | 0.97Å | 1.00Å | |
| C4 | H49 | sing | 1.09Å | 1.10Å | |
| C4 | H50 | sing | 1.09Å | 1.10Å | |
| C8 | H52 | sing | 1.09Å | 1.10Å | |
| C10 | H54 | sing | 1.09Å | 1.10Å | |
| C10 | H53 | sing | 1.09Å | 1.10Å | |
| N12 | H55 | sing | 0.97Å | 1.00Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H59 | sing | 1.09Å | 1.10Å | |
| C28 | H67 | sing | 1.08Å | 1.08Å | |
| C14 | H56 | sing | 1.09Å | 1.10Å | |
| C16 | H58 | sing | 1.09Å | 1.10Å | |
| C16 | H57 | sing | 1.09Å | 1.10Å | |
| C18 | H61 | sing | 1.09Å | 1.10Å | |
| C18 | H60 | sing | 1.09Å | 1.10Å | |
| C19 | H62 | sing | 1.09Å | 1.10Å | |
| C19 | H63 | sing | 1.09Å | 1.10Å | |
| C2 | H48 | sing | 1.09Å | 1.10Å | |
| C27 | H66 | sing | 1.08Å | 1.08Å | |
| C29 | H68 | sing | 1.08Å | 1.08Å | |
| C30 | H69 | sing | 1.08Å | 1.08Å | |
| C31 | H70 | sing | 1.08Å | 1.08Å | |
| C32 | H71 | sing | 1.08Å | 1.08Å | |
| C33 | H72 | sing | 1.08Å | 1.08Å | |
| C34 | H73 | sing | 1.08Å | 1.08Å | |
| C35 | H74 | sing | 1.08Å | 1.08Å | |
| C36 | H75 | sing | 1.08Å | 1.08Å | |
| N20 | H64 | sing | 0.97Å | 1.00Å | |
| N26 | H65 | sing | 0.97Å | 1.00Å | |
| N6 | H51 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C23 | 124.7° | 120.0° |
| N1 | C2 | C3 | 109.0° | 109.5° |
| N1 | C2 | C4 | 110.9° | 109.5° |
| C2 | N1 | H47 | 117.6° | 120.0° |
| N1 | C2 | H48 | 108.4° | 109.5° |
| N1 | C23 | C24 | 117.3° | 120.0° |
| N1 | C23 | O25 | 124.8° | 120.0° |
| C23 | N1 | H47 | 117.7° | 120.0° |
| C3 | C2 | C4 | 113.2° | 109.5° |
| C2 | C3 | N6 | 115.2° | 120.0° |
| C2 | C3 | O7 | 121.3° | 120.0° |
| C3 | C2 | H48 | 107.6° | 109.4° |
| C2 | C4 | C5 | 111.2° | 109.4° |
| C2 | C4 | H49 | 109.1° | 109.5° |
| C2 | C4 | H50 | 109.0° | 109.5° |
| C4 | C2 | H48 | 107.5° | 109.5° |
| N6 | C3 | O7 | 123.6° | 120.0° |
| C3 | N6 | C8 | 121.6° | 120.0° |
| C3 | N6 | H51 | 119.2° | 120.0° |
| C4 | C5 | C32 | 122.3° | 120.0° |
| C4 | C5 | C36 | 119.2° | 120.0° |
| C5 | C4 | H49 | 109.0° | 109.4° |
| C5 | C4 | H50 | 109.0° | 109.5° |
| C32 | C5 | C36 | 118.5° | 120.1° |
| C5 | C32 | C33 | 120.8° | 120.0° |
| C5 | C32 | H71 | 119.6° | 120.1° |
| C5 | C36 | C35 | 121.1° | 120.0° |
| C5 | C36 | H75 | 119.5° | 120.1° |
| N6 | C8 | C9 | 109.6° | 109.4° |
| N6 | C8 | C10 | 114.9° | 109.4° |
| N6 | C8 | H52 | 110.3° | 109.5° |
| C8 | N6 | H51 | 119.2° | 120.0° |
| C9 | C8 | C10 | 104.0° | 109.5° |
| C8 | C9 | N12 | 118.6° | 120.0° |
| C8 | C9 | O13 | 118.5° | 120.1° |
| C9 | C8 | H52 | 109.0° | 109.5° |
| C8 | C10 | C11 | 118.1° | 109.5° |
| C10 | C8 | H52 | 108.8° | 109.5° |
| C8 | C10 | H54 | 107.3° | 109.4° |
| C8 | C10 | H53 | 107.3° | 109.5° |
| N12 | C9 | O13 | 122.8° | 119.9° |
| C9 | N12 | C14 | 124.1° | 120.0° |
| C9 | N12 | H55 | 117.9° | 119.9° |
| C10 | C11 | C27 | 121.2° | 120.0° |
| C10 | C11 | C31 | 120.2° | 120.0° |
| C11 | C10 | H54 | 107.3° | 109.5° |
| C11 | C10 | H53 | 107.3° | 109.5° |
| C27 | C11 | C31 | 118.6° | 120.0° |
| C11 | C27 | C28 | 120.7° | 120.0° |
| C11 | C27 | H66 | 119.7° | 120.0° |
| C11 | C31 | C30 | 121.0° | 120.1° |
| C11 | C31 | H70 | 119.5° | 120.0° |
| N12 | C14 | C15 | 105.4° | 109.5° |
| N12 | C14 | C16 | 113.2° | 109.5° |
| C14 | N12 | H55 | 117.9° | 120.0° |
| N12 | C14 | H56 | 109.9° | 109.5° |
| C15 | C14 | C16 | 110.4° | 109.4° |
| C14 | C15 | N26 | 120.2° | 120.0° |
| C14 | C15 | H1 | 119.9° | 120.0° |
| C15 | C14 | H56 | 109.0° | 109.4° |
| C14 | C16 | C17 | 114.9° | 109.4° |
| C16 | C14 | H56 | 108.8° | 109.5° |
| C14 | C16 | H58 | 108.1° | 109.5° |
| C14 | C16 | H57 | 108.1° | 109.5° |
| N26 | C15 | H1 | 119.9° | 120.0° |
| C15 | N26 | H65 | 112.0° | 120.0° |
| C16 | C17 | C18 | 121.4° | 110.4° |
| C16 | C17 | C21 | 107.4° | 110.5° |
| C16 | C17 | H59 | 107.1° | 110.5° |
| C17 | C16 | H58 | 108.1° | 109.4° |
| C17 | C16 | H57 | 108.1° | 109.5° |
| C18 | C17 | C21 | 106.1° | 104.2° |
| C17 | C18 | C19 | 105.3° | 101.8° |
| C18 | C17 | H59 | 107.0° | 110.5° |
| C17 | C18 | H61 | 110.5° | 110.9° |
| C17 | C18 | H60 | 110.5° | 110.9° |
| C17 | C21 | N20 | 108.1° | 110.1° |
| C17 | C21 | O22 | 125.5° | 124.9° |
| C21 | C17 | H59 | 107.1° | 110.5° |
| C18 | C19 | N20 | 105.1° | 105.5° |
| C19 | C18 | H61 | 110.5° | 111.0° |
| C19 | C18 | H60 | 110.5° | 111.0° |
| C18 | C19 | H62 | 110.5° | 110.2° |
| C18 | C19 | H63 | 110.6° | 110.3° |
| C19 | N20 | C21 | 115.1° | 111.3° |
| N20 | C19 | H62 | 110.5° | 110.3° |
| N20 | C19 | H63 | 110.6° | 110.3° |
| C19 | N20 | H64 | 122.5° | 124.4° |
| N20 | C21 | O22 | 126.4° | 125.0° |
| C21 | N20 | H64 | 122.5° | 124.3° |
| C24 | C23 | O25 | 117.9° | 120.0° |
| C23 | C24 | F37 | 112.4° | 109.4° |
| C23 | C24 | F38 | 110.5° | 109.5° |
| C23 | C24 | F39 | 110.9° | 109.5° |
| F37 | C24 | F38 | 108.5° | 109.5° |
| F37 | C24 | F39 | 106.9° | 109.4° |
| F38 | C24 | F39 | 107.4° | 109.5° |
| C27 | C28 | C29 | 120.3° | 120.0° |
| C27 | C28 | H67 | 119.8° | 120.0° |
| C28 | C27 | H66 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.5° | 120.0° |
| C29 | C28 | H67 | 119.9° | 120.0° |
| C28 | C29 | H68 | 120.2° | 120.0° |
| C29 | C30 | C31 | 119.8° | 120.0° |
| C30 | C29 | H68 | 120.2° | 120.0° |
| C29 | C30 | H69 | 120.1° | 120.0° |
| C31 | C30 | H69 | 120.1° | 120.1° |
| C30 | C31 | H70 | 119.5° | 120.0° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C33 | C32 | H71 | 119.6° | 120.0° |
| C32 | C33 | H72 | 120.0° | 120.0° |
| C33 | C34 | C35 | 119.7° | 120.0° |
| C34 | C33 | H72 | 120.0° | 120.0° |
| C33 | C34 | H73 | 120.2° | 120.0° |
| C34 | C35 | C36 | 120.0° | 120.0° |
| C35 | C34 | H73 | 120.1° | 120.0° |
| C34 | C35 | H74 | 120.0° | 120.0° |
| C36 | C35 | H74 | 120.0° | 120.0° |
| C35 | C36 | H75 | 119.5° | 120.0° |
| H49 | C4 | H50 | 109.5° | 109.5° |
| H54 | C10 | H53 | 109.5° | 109.5° |
| H58 | C16 | H57 | 109.5° | 109.5° |
| H61 | C18 | H60 | 109.5° | 110.9° |
| H62 | C19 | H63 | 109.5° | 110.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C23 | H47 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 123.9° | 120.0° |
| N1 | C2 | C3 | H48 | 117.4° | 120.0° |
| N1 | C2 | C4 | H48 | 118.4° | 120.0° |
| N1 | C2 | C3 | N6 | 159.1° | 160.0° |
| N1 | C2 | C3 | O7 | 20.0° | 20.0° |
| N1 | C2 | C4 | C5 | 62.9° | 65.0° |
| C2 | N1 | C23 | C24 | 177.9° | 180.0° |
| C2 | N1 | C23 | O25 | 2.1° | 0.2° |
| N1 | C2 | C4 | H49 | 176.9° | 175.0° |
| N1 | C2 | C4 | H50 | 57.4° | 55.0° |
| C23 | N1 | C2 | C3 | 81.0° | 60.1° |
| C23 | N1 | C2 | C4 | 153.8° | 59.9° |
| N1 | C23 | C24 | O25 | 180.0° | 179.8° |
| N1 | C23 | C24 | F37 | 130.6° | 179.7° |
| N1 | C23 | C24 | F38 | 9.2° | 60.3° |
| N1 | C23 | C24 | F39 | 109.7° | 59.8° |
| C23 | N1 | C2 | H48 | 35.9° | 180.0° |
| C3 | C2 | C4 | H48 | 118.8° | 120.0° |
| C2 | C3 | N6 | O7 | 179.1° | 180.0° |
| C3 | C2 | C4 | C5 | 174.3° | 175.0° |
| C2 | C3 | N6 | C8 | 177.7° | 180.0° |
| C3 | C2 | N1 | H47 | 99.0° | 120.0° |
| C3 | C2 | C4 | H49 | 54.0° | 55.0° |
| C3 | C2 | C4 | H50 | 65.4° | 65.0° |
| C2 | C3 | N6 | H51 | 2.3° | 0.0° |
| C4 | C2 | C3 | N6 | 77.0° | 80.0° |
| C4 | C2 | C3 | O7 | 103.9° | 100.0° |
| C2 | C4 | C5 | H49 | 120.3° | 120.0° |
| C2 | C4 | C5 | H50 | 120.3° | 120.0° |
| C2 | C4 | C5 | C32 | 99.7° | 90.0° |
| C2 | C4 | C5 | C36 | 81.5° | 90.3° |
| C4 | C2 | N1 | H47 | 26.2° | 120.0° |
| C2 | C4 | H49 | H50 | 119.2° | 120.1° |
| C3 | N6 | C8 | H51 | 180.0° | 180.0° |
| C3 | N6 | C8 | C9 | 54.6° | 155.0° |
| C3 | N6 | C8 | C10 | 171.2° | 85.0° |
| C3 | N6 | C8 | H52 | 65.4° | 34.9° |
| N6 | C3 | C2 | H48 | 41.7° | 40.0° |
| O7 | C3 | N6 | C8 | 3.2° | 0.0° |
| O7 | C3 | C2 | H48 | 137.4° | 140.0° |
| O7 | C3 | N6 | H51 | 176.8° | 180.0° |
| C4 | C5 | C32 | C36 | 178.8° | 179.7° |
| C4 | C5 | C32 | C33 | 178.5° | 180.0° |
| C4 | C5 | C36 | C35 | 178.7° | 179.9° |
| C5 | C4 | H49 | H50 | 119.2° | 120.0° |
| C5 | C4 | C2 | H48 | 55.5° | 55.0° |
| C4 | C5 | C32 | H71 | 1.5° | 0.1° |
| C4 | C5 | C36 | H75 | 1.3° | 0.0° |
| C5 | C32 | C33 | H71 | 180.0° | 179.9° |
| C5 | C32 | C33 | C34 | 0.4° | 0.1° |
| C32 | C5 | C36 | C35 | 0.2° | 0.2° |
| C32 | C5 | C4 | H49 | 20.6° | 30.0° |
| C32 | C5 | C4 | H50 | 140.0° | 150.0° |
| C5 | C32 | C33 | H72 | 179.6° | 180.0° |
| C32 | C5 | C36 | H75 | 179.8° | 179.7° |
| C36 | C5 | C32 | C33 | 0.3° | 0.3° |
| C5 | C36 | C35 | C34 | 0.2° | 0.1° |
| C5 | C36 | C35 | H75 | 180.0° | 179.9° |
| C36 | C5 | C4 | H49 | 158.3° | 149.7° |
| C36 | C5 | C4 | H50 | 38.8° | 29.7° |
| C36 | C5 | C32 | H71 | 179.7° | 179.7° |
| C5 | C36 | C35 | H74 | 179.8° | 180.0° |
| N6 | C8 | C9 | C10 | 123.3° | 119.9° |
| N6 | C8 | C9 | H52 | 120.8° | 120.1° |
| N6 | C8 | C10 | H52 | 124.1° | 120.0° |
| N6 | C8 | C9 | N12 | 148.9° | 180.0° |
| N6 | C8 | C9 | O13 | 33.7° | 0.0° |
| N6 | C8 | C10 | C11 | 60.2° | 65.1° |
| N6 | C8 | C10 | H54 | 61.1° | 175.0° |
| N6 | C8 | C10 | H53 | 178.6° | 55.0° |
| C9 | C8 | C10 | H52 | 116.1° | 120.1° |
| C8 | C9 | N12 | O13 | 177.3° | 180.0° |
| C9 | C8 | C10 | C11 | 180.0° | 175.0° |
| C8 | C9 | N12 | C14 | 178.6° | 180.0° |
| C9 | C8 | C10 | H54 | 58.7° | 55.0° |
| C9 | C8 | C10 | H53 | 58.8° | 65.0° |
| C8 | C9 | N12 | H55 | 1.4° | 0.1° |
| C9 | C8 | N6 | H51 | 125.4° | 25.0° |
| C10 | C8 | C9 | N12 | 87.8° | 60.1° |
| C10 | C8 | C9 | O13 | 89.6° | 119.9° |
| C8 | C10 | C11 | H54 | 121.2° | 120.0° |
| C8 | C10 | C11 | H53 | 121.2° | 120.1° |
| C8 | C10 | C11 | C27 | 29.9° | 90.0° |
| C8 | C10 | C11 | C31 | 150.9° | 90.2° |
| C8 | C10 | H54 | H53 | 116.1° | 120.0° |
| C10 | C8 | N6 | H51 | 8.7° | 95.0° |
| C9 | N12 | C14 | H55 | 180.0° | 180.0° |
| C9 | N12 | C14 | C15 | 145.4° | 86.7° |
| C9 | N12 | C14 | C16 | 93.9° | 153.3° |
| N12 | C9 | C8 | H52 | 28.1° | 60.0° |
| C9 | N12 | C14 | H56 | 28.1° | 33.3° |
| O13 | C9 | N12 | C14 | 1.3° | 0.0° |
| O13 | C9 | C8 | H52 | 154.5° | 120.0° |
| O13 | C9 | N12 | H55 | 178.7° | 179.9° |
| C10 | C11 | C27 | C31 | 179.2° | 179.7° |
| C10 | C11 | C27 | C28 | 179.9° | 180.0° |
| C10 | C11 | C31 | C30 | 179.8° | 180.0° |
| C11 | C10 | C8 | H52 | 64.0° | 55.0° |
| C11 | C10 | H54 | H53 | 116.1° | 120.0° |
| C10 | C11 | C27 | H66 | 0.1° | 0.0° |
| C10 | C11 | C31 | H70 | 0.2° | 0.0° |
| C11 | C27 | C28 | H66 | 180.0° | 180.0° |
| C11 | C27 | C28 | C29 | 0.4° | 0.0° |
| C27 | C11 | C31 | C30 | 0.6° | 0.3° |
| C27 | C11 | C10 | H54 | 151.2° | 150.0° |
| C27 | C11 | C10 | H53 | 91.3° | 30.0° |
| C11 | C27 | C28 | H67 | 179.6° | 180.0° |
| C27 | C11 | C31 | H70 | 179.4° | 179.7° |
| C31 | C11 | C27 | C28 | 0.7° | 0.3° |
| C11 | C31 | C30 | C29 | 0.2° | 0.0° |
| C11 | C31 | C30 | H70 | 180.0° | 180.0° |
| C31 | C11 | C10 | H54 | 29.7° | 29.7° |
| C31 | C11 | C10 | H53 | 87.9° | 149.7° |
| C31 | C11 | C27 | H66 | 179.3° | 179.7° |
| C11 | C31 | C30 | H69 | 179.8° | 180.0° |
| N12 | C14 | C15 | C16 | 122.6° | 120.0° |
| N12 | C14 | C15 | H56 | 117.9° | 120.0° |
| N12 | C14 | C16 | H56 | 122.5° | 120.1° |
| N12 | C14 | C15 | N26 | 138.0° | 0.0° |
| N12 | C14 | C16 | C17 | 65.7° | 64.8° |
| N12 | C14 | C15 | H1 | 42.0° | 180.0° |
| N12 | C14 | C16 | H58 | 55.1° | 55.2° |
| N12 | C14 | C16 | H57 | 173.6° | 175.2° |
| C15 | C14 | C16 | H56 | 119.6° | 119.9° |
| C14 | C15 | N26 | H1 | 180.0° | 180.0° |
| C15 | C14 | C16 | C17 | 176.4° | 175.2° |
| C15 | C14 | N12 | H55 | 34.7° | 93.3° |
| C15 | C14 | C16 | H58 | 62.8° | 64.8° |
| C15 | C14 | C16 | H57 | 55.6° | 55.2° |
| C14 | C15 | N26 | H65 | 180.0° | 180.0° |
| C16 | C14 | C15 | N26 | 99.4° | 120.0° |
| C14 | C16 | C17 | H58 | 120.8° | 120.0° |
| C14 | C16 | C17 | H57 | 120.8° | 120.0° |
| C14 | C16 | C17 | C18 | 68.0° | 65.1° |
| C14 | C16 | C17 | C21 | 170.0° | 179.9° |
| C16 | C14 | N12 | H55 | 86.1° | 26.7° |
| C16 | C14 | C15 | H1 | 80.6° | 60.0° |
| C14 | C16 | C17 | H59 | 55.2° | 57.5° |
| C14 | C16 | H58 | H57 | 117.5° | 120.1° |
| N26 | C15 | C14 | H56 | 20.1° | 120.0° |
| C16 | C17 | C18 | C21 | 122.7° | 118.6° |
| C16 | C17 | C18 | H59 | 123.2° | 122.6° |
| C16 | C17 | C21 | H59 | 114.8° | 122.7° |
| C16 | C17 | C18 | C19 | 116.9° | 143.5° |
| C16 | C17 | C21 | N20 | 127.2° | 134.9° |
| C16 | C17 | C21 | O22 | 51.6° | 45.1° |
| C17 | C16 | C14 | H56 | 56.9° | 55.3° |
| C17 | C16 | H58 | H57 | 117.5° | 120.0° |
| C16 | C17 | C18 | H61 | 2.5° | 25.3° |
| C16 | C17 | C18 | H60 | 123.8° | 98.4° |
| C18 | C17 | C21 | H59 | 114.0° | 118.7° |
| C17 | C18 | C19 | H61 | 119.3° | 118.1° |
| C17 | C18 | C19 | H60 | 119.3° | 118.1° |
| C17 | C18 | C19 | N20 | 5.5° | 25.5° |
| C18 | C17 | C21 | N20 | 4.0° | 16.3° |
| C18 | C17 | C21 | O22 | 177.3° | 163.7° |
| C18 | C17 | C16 | H58 | 171.3° | 174.9° |
| C18 | C17 | C16 | H57 | 52.8° | 54.9° |
| C17 | C18 | H61 | H60 | 121.9° | 123.8° |
| C17 | C18 | C19 | H62 | 113.8° | 144.5° |
| C17 | C18 | C19 | H63 | 124.8° | 93.6° |
| C21 | C17 | C18 | C19 | 5.8° | 24.8° |
| C17 | C21 | N20 | C19 | 0.4° | 0.4° |
| C17 | C21 | N20 | O22 | 178.7° | 180.0° |
| C21 | C17 | C16 | H58 | 49.2° | 60.1° |
| C21 | C17 | C16 | H57 | 69.2° | 59.8° |
| C21 | C17 | C18 | H61 | 125.1° | 93.3° |
| C21 | C17 | C18 | H60 | 113.6° | 142.9° |
| C17 | C21 | N20 | H64 | 179.7° | 179.6° |
| C18 | C19 | N20 | H62 | 119.3° | 119.0° |
| C18 | C19 | N20 | H63 | 119.3° | 119.1° |
| C18 | C19 | N20 | C21 | 3.4° | 17.1° |
| C19 | C18 | C17 | H59 | 119.9° | 93.9° |
| C19 | C18 | H61 | H60 | 121.9° | 123.9° |
| C18 | C19 | H62 | H63 | 122.0° | 122.0° |
| C18 | C19 | N20 | H64 | 176.6° | 163.0° |
| C19 | N20 | C21 | H64 | 180.0° | 179.9° |
| C19 | N20 | C21 | O22 | 179.1° | 179.6° |
| N20 | C19 | C18 | H61 | 124.9° | 92.6° |
| N20 | C19 | C18 | H60 | 113.8° | 143.5° |
| N20 | C19 | H62 | H63 | 122.0° | 122.0° |
| N20 | C21 | C17 | H59 | 118.0° | 102.4° |
| C21 | N20 | C19 | H62 | 115.9° | 136.0° |
| C21 | N20 | C19 | H63 | 122.7° | 102.0° |
| O22 | C21 | C17 | H59 | 63.3° | 77.6° |
| O22 | C21 | N20 | H64 | 0.9° | 0.3° |
| C23 | C24 | F37 | F38 | 122.5° | 120.0° |
| C23 | C24 | F37 | F39 | 121.9° | 120.0° |
| C23 | C24 | F38 | F39 | 121.1° | 120.1° |
| C24 | C23 | N1 | H47 | 2.1° | 0.1° |
| O25 | C23 | C24 | F37 | 49.4° | 0.0° |
| O25 | C23 | C24 | F38 | 170.8° | 120.0° |
| O25 | C23 | C24 | F39 | 70.2° | 120.0° |
| O25 | C23 | N1 | H47 | 177.9° | 179.7° |
| F37 | C24 | F38 | F39 | 115.3° | 120.0° |
| C27 | C28 | C29 | H67 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | H68 | 180.0° | 180.0° |
| C28 | C29 | C30 | H68 | 180.0° | 179.7° |
| C28 | C29 | C30 | C31 | 0.2° | 0.3° |
| C29 | C28 | C27 | H66 | 179.6° | 180.0° |
| C28 | C29 | C30 | H69 | 179.9° | 179.7° |
| C29 | C30 | C31 | H69 | 180.0° | 180.0° |
| C30 | C29 | C28 | H67 | 180.0° | 179.8° |
| C29 | C30 | C31 | H70 | 179.8° | 180.0° |
| C31 | C30 | C29 | H68 | 179.8° | 180.0° |
| C32 | C33 | C34 | H72 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.4° | 0.3° |
| C32 | C33 | C34 | H73 | 179.6° | 180.0° |
| C33 | C34 | C35 | H73 | 180.0° | 179.7° |
| C33 | C34 | C35 | C36 | 0.3° | 0.3° |
| C34 | C33 | C32 | H71 | 179.6° | 180.0° |
| C33 | C34 | C35 | H74 | 179.7° | 179.7° |
| C34 | C35 | C36 | H74 | 180.0° | 179.9° |
| C35 | C34 | C33 | H72 | 179.6° | 179.7° |
| C34 | C35 | C36 | H75 | 179.8° | 180.0° |
| C36 | C35 | C34 | H73 | 179.8° | 179.9° |
| H47 | N1 | C2 | H48 | 144.1° | 0.1° |
| H49 | C4 | C2 | H48 | 64.7° | 64.9° |
| H50 | C4 | C2 | H48 | 175.8° | 175.0° |
| H52 | C8 | C10 | H54 | 174.8° | 65.0° |
| H52 | C8 | C10 | H53 | 57.3° | 175.0° |
| H52 | C8 | N6 | H51 | 114.6° | 145.0° |
| H55 | N12 | C14 | H56 | 152.0° | 146.8° |
| H1 | C15 | C14 | H56 | 159.9° | 60.0° |
| H1 | C15 | N26 | H65 | 0.0° | 0.0° |
| H59 | C17 | C16 | H58 | 65.6° | 62.5° |
| H59 | C17 | C16 | H57 | 176.0° | 177.5° |
| H59 | C17 | C18 | H61 | 120.7° | 147.9° |
| H59 | C17 | C18 | H60 | 0.5° | 24.2° |
| H67 | C28 | C27 | H66 | 0.4° | 0.0° |
| H67 | C28 | C29 | H68 | 0.0° | 0.0° |
| H56 | C14 | C16 | H58 | 177.7° | 175.2° |
| H56 | C14 | C16 | H57 | 63.9° | 64.7° |
| H61 | C18 | C19 | H62 | 5.6° | 26.4° |
| H61 | C18 | C19 | H63 | 115.8° | 148.3° |
| H60 | C18 | C19 | H62 | 126.9° | 97.5° |
| H60 | C18 | C19 | H63 | 5.5° | 24.4° |
| H62 | C19 | N20 | H64 | 64.1° | 44.0° |
| H63 | C19 | N20 | H64 | 57.3° | 77.9° |
| H68 | C29 | C30 | H69 | 0.1° | 0.1° |
| H69 | C30 | C31 | H70 | 0.2° | 0.0° |
| H71 | C32 | C33 | H72 | 0.4° | 0.0° |
| H72 | C33 | C34 | H73 | 0.4° | 0.0° |
| H73 | C34 | C35 | H74 | 0.2° | 0.0° |
| H74 | C35 | C36 | H75 | 0.2° | 0.0° |
