O5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | sing | 1.53Å | 1.49Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C24 | sing | 1.51Å | 1.52Å | |
| C20 | N4 | sing | 1.46Å | 1.46Å | |
| C30 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C19 | doub | 1.22Å | 1.23Å | |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C19 | sing | 1.35Å | 1.34Å | |
| C29 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.50Å | |
| C31 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| F | C28 | sing | 1.40Å | 1.33Å | |
| C9 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | N1 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C5 | C2 | sing | 1.54Å | 1.56Å | |
| C5 | C | sing | 1.54Å | 1.54Å | |
| N | C4 | sing | 1.47Å | 1.45Å | |
| N | C3 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.54Å | 1.55Å | |
| C33 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | F2 | sing | 1.40Å | 1.32Å | |
| C28 | F1 | sing | 1.40Å | 1.32Å | |
| C | N1 | sing | 1.46Å | 1.46Å | |
| C | C1 | sing | 1.54Å | 1.54Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | Aromatic |
| C16 | N3 | sing | 1.35Å | 1.40Å | Aromatic |
| C3 | O | doub | 1.21Å | 1.23Å | |
| C8 | C7 | doub | 1.42Å | 1.43Å | Aromatic |
| C8 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C6 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | sing | 1.40Å | 1.42Å | Aromatic |
| C7 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | N2 | sing | 1.31Å | 1.33Å | Aromatic |
| C9 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N4 | H10 | sing | 0.97Å | 1.00Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 112.7° | 109.5° |
| C23 | C22 | H21 | 108.6° | 109.5° |
| C23 | C22 | H22 | 108.6° | 109.5° |
| C22 | C23 | H23 | 109.5° | 109.4° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C21 | C20 | 114.1° | 109.5° |
| C22 | C21 | H19 | 108.3° | 109.4° |
| C22 | C21 | H20 | 108.3° | 109.5° |
| C21 | C22 | H21 | 108.7° | 109.4° |
| C21 | C22 | H22 | 108.7° | 109.5° |
| C21 | C20 | C24 | 109.7° | 109.5° |
| C21 | C20 | N4 | 111.5° | 109.5° |
| C21 | C20 | H18 | 107.3° | 109.5° |
| C20 | C21 | H19 | 108.3° | 109.4° |
| C20 | C21 | H20 | 108.3° | 109.5° |
| C24 | C20 | N4 | 112.6° | 109.5° |
| C20 | C24 | C30 | 120.6° | 120.0° |
| C20 | C24 | C25 | 121.2° | 120.0° |
| C24 | C20 | H18 | 107.4° | 109.4° |
| C20 | N4 | C19 | 121.1° | 120.0° |
| C20 | N4 | H10 | 119.5° | 120.0° |
| N4 | C20 | H18 | 108.1° | 109.5° |
| C24 | C30 | C29 | 121.0° | 120.0° |
| C30 | C24 | C25 | 118.2° | 120.0° |
| C24 | C30 | H29 | 119.5° | 120.0° |
| C30 | C29 | C27 | 120.8° | 120.0° |
| C30 | C29 | H28 | 119.6° | 120.0° |
| C29 | C30 | H29 | 119.5° | 120.0° |
| O1 | C19 | N4 | 121.3° | 120.0° |
| O1 | C19 | C18 | 120.7° | 120.0° |
| C24 | C25 | C26 | 121.0° | 120.0° |
| C24 | C25 | H26 | 119.5° | 120.0° |
| N4 | C19 | C18 | 118.0° | 120.0° |
| C19 | N4 | H10 | 119.4° | 120.0° |
| C29 | C27 | C26 | 118.3° | 120.0° |
| C29 | C27 | C28 | 120.8° | 120.0° |
| C27 | C29 | H28 | 119.6° | 120.0° |
| C19 | C18 | C31 | 118.7° | 120.3° |
| C19 | C18 | C17 | 122.8° | 120.2° |
| C18 | C31 | C32 | 121.1° | 120.3° |
| C31 | C18 | C17 | 118.0° | 119.5° |
| C18 | C31 | H30 | 119.5° | 119.8° |
| C31 | C32 | C33 | 120.9° | 120.7° |
| C32 | C31 | H30 | 119.5° | 119.9° |
| C31 | C32 | H31 | 119.5° | 119.6° |
| C9 | C10 | C11 | 120.6° | 120.9° |
| C10 | C9 | C8 | 121.1° | 119.5° |
| C10 | C9 | H1 | 119.5° | 120.2° |
| C9 | C10 | H13 | 119.7° | 119.6° |
| C10 | C11 | C12 | 120.6° | 121.1° |
| C11 | C10 | H13 | 119.7° | 119.5° |
| C10 | C11 | H14 | 119.7° | 119.5° |
| C18 | C17 | N1 | 134.5° | 133.9° |
| C18 | C17 | C16 | 120.6° | 119.8° |
| C25 | C26 | C27 | 120.7° | 120.0° |
| C26 | C25 | H26 | 119.5° | 120.0° |
| C25 | C26 | H27 | 119.7° | 120.0° |
| C32 | C33 | C16 | 118.7° | 120.1° |
| C33 | C32 | H31 | 119.5° | 119.6° |
| C32 | C33 | H32 | 120.6° | 119.9° |
| C26 | C27 | C28 | 120.9° | 120.0° |
| C27 | C26 | H27 | 119.6° | 120.0° |
| C27 | C28 | F | 113.2° | 109.5° |
| C27 | C28 | F2 | 113.0° | 109.5° |
| C27 | C28 | F1 | 112.8° | 109.5° |
| F | C28 | F2 | 106.6° | 109.5° |
| F | C28 | F1 | 105.0° | 109.5° |
| C9 | C8 | C7 | 124.6° | 122.2° |
| C9 | C8 | C13 | 117.9° | 119.7° |
| C8 | C9 | H1 | 119.4° | 120.3° |
| C11 | C12 | C13 | 120.8° | 119.5° |
| C12 | C11 | H14 | 119.7° | 119.5° |
| C11 | C12 | H15 | 119.6° | 120.2° |
| N1 | C17 | C16 | 104.9° | 106.3° |
| C17 | N1 | C | 125.5° | 126.4° |
| C17 | N1 | C6 | 106.4° | 107.3° |
| C17 | C16 | C33 | 120.5° | 119.5° |
| C17 | C16 | N3 | 110.5° | 107.2° |
| C2 | C5 | C | 86.2° | 87.1° |
| C5 | C2 | C3 | 112.2° | 113.6° |
| C5 | C2 | C1 | 89.1° | 87.1° |
| C2 | C5 | H4 | 114.9° | 113.6° |
| C2 | C5 | H5 | 114.9° | 113.6° |
| C5 | C2 | H9 | 111.8° | 113.6° |
| C5 | C | N1 | 135.4° | 113.6° |
| C5 | C | C1 | 90.4° | 87.0° |
| C | C5 | H4 | 115.0° | 113.6° |
| C | C5 | H5 | 114.9° | 113.6° |
| C5 | C | H12 | 94.4° | 113.6° |
| C4 | N | C3 | 122.0° | 120.0° |
| N | C4 | H6 | 109.5° | 109.5° |
| N | C4 | H7 | 109.5° | 109.5° |
| N | C4 | H8 | 109.5° | 109.4° |
| C4 | N | H11 | 119.0° | 120.0° |
| N | C3 | C2 | 115.5° | 120.0° |
| N | C3 | O | 123.0° | 120.0° |
| C3 | N | H11 | 119.0° | 120.0° |
| C3 | C2 | C1 | 117.2° | 113.6° |
| C2 | C3 | O | 121.5° | 120.0° |
| C3 | C2 | H9 | 112.6° | 112.8° |
| C2 | C1 | C | 86.1° | 87.2° |
| C2 | C1 | H2 | 115.0° | 113.6° |
| C2 | C1 | H3 | 114.9° | 113.6° |
| C1 | C2 | H9 | 111.8° | 113.7° |
| C33 | C16 | N3 | 128.9° | 133.3° |
| C16 | C33 | H32 | 120.6° | 119.9° |
| F2 | C28 | F1 | 105.6° | 109.5° |
| N1 | C | C1 | 132.1° | 113.7° |
| C | N1 | C6 | 127.3° | 126.4° |
| N1 | C | H12 | 94.6° | 112.8° |
| C | C1 | H2 | 115.0° | 113.6° |
| C | C1 | H3 | 115.0° | 113.7° |
| C1 | C | H12 | 94.4° | 113.7° |
| N1 | C6 | N3 | 113.1° | 109.7° |
| N1 | C6 | C7 | 124.9° | 125.2° |
| C16 | N3 | C6 | 105.0° | 109.6° |
| C7 | C8 | C13 | 117.5° | 118.2° |
| C8 | C7 | C6 | 122.0° | 120.9° |
| C8 | C7 | C15 | 118.3° | 118.3° |
| C8 | C13 | C12 | 119.0° | 119.3° |
| C8 | C13 | C14 | 117.8° | 118.7° |
| N3 | C6 | C7 | 122.0° | 125.2° |
| C6 | C7 | C15 | 119.7° | 120.8° |
| C12 | C13 | C14 | 123.2° | 122.0° |
| C13 | C12 | H15 | 119.6° | 120.3° |
| C7 | C15 | N2 | 124.6° | 121.5° |
| C7 | C15 | H17 | 117.7° | 119.3° |
| C13 | C14 | N2 | 124.3° | 120.4° |
| C13 | C14 | H16 | 117.8° | 119.8° |
| C15 | N2 | C14 | 117.5° | 122.9° |
| N2 | C15 | H17 | 117.7° | 119.2° |
| N2 | C14 | H16 | 117.8° | 119.8° |
| H2 | C1 | H3 | 109.5° | 112.8° |
| H4 | C5 | H5 | 109.5° | 112.9° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H6 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.4° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.5° |
| H21 | C22 | H22 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H25 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H21 | 120.5° | 120.0° |
| C23 | C22 | C21 | H22 | 120.5° | 120.0° |
| C23 | C22 | C21 | C20 | 179.5° | 180.0° |
| C23 | C22 | C21 | H19 | 59.8° | 60.1° |
| C23 | C22 | C21 | H20 | 58.8° | 60.0° |
| C23 | C22 | H21 | H22 | 118.5° | 120.0° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C22 | C21 | C20 | H19 | 120.7° | 119.9° |
| C22 | C21 | C20 | H20 | 120.7° | 120.1° |
| C22 | C21 | C20 | C24 | 163.4° | 175.0° |
| C22 | C21 | C20 | N4 | 71.2° | 65.0° |
| C22 | C21 | C20 | H18 | 47.0° | 55.0° |
| C22 | C21 | H19 | H20 | 117.9° | 120.1° |
| C21 | C22 | H21 | H22 | 118.5° | 120.0° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| C21 | C22 | C23 | H24 | 60.0° | 60.0° |
| C21 | C22 | C23 | H25 | 60.0° | 60.0° |
| C21 | C20 | C24 | N4 | 124.8° | 120.0° |
| C21 | C20 | C24 | H18 | 116.3° | 120.0° |
| C21 | C20 | N4 | H18 | 117.7° | 120.0° |
| C21 | C20 | C24 | C30 | 94.3° | 79.8° |
| C21 | C20 | C24 | C25 | 86.7° | 100.0° |
| C21 | C20 | N4 | C19 | 146.0° | 85.0° |
| C21 | C20 | N4 | H10 | 34.0° | 95.0° |
| C20 | C21 | H19 | H20 | 117.9° | 120.0° |
| C20 | C21 | C22 | H21 | 59.0° | 60.0° |
| C20 | C21 | C22 | H22 | 60.0° | 60.0° |
| C24 | C20 | N4 | H18 | 118.5° | 120.0° |
| C20 | C24 | C30 | C25 | 179.0° | 179.8° |
| C20 | C24 | C30 | C29 | 178.4° | 179.7° |
| C24 | C20 | N4 | C19 | 90.2° | 155.0° |
| C20 | C24 | C25 | C26 | 178.5° | 180.0° |
| C24 | C20 | N4 | H10 | 89.8° | 25.0° |
| C24 | C20 | C21 | H19 | 42.7° | 65.0° |
| C24 | C20 | C21 | H20 | 76.0° | 54.9° |
| C20 | C24 | C25 | H26 | 1.6° | 0.0° |
| C20 | C24 | C30 | H29 | 1.6° | 0.0° |
| N4 | C20 | C24 | C30 | 140.9° | 40.3° |
| C20 | N4 | C19 | O1 | 1.4° | 0.0° |
| N4 | C20 | C24 | C25 | 38.0° | 140.0° |
| C20 | N4 | C19 | H10 | 180.0° | 180.0° |
| C20 | N4 | C19 | C18 | 176.9° | 180.0° |
| N4 | C20 | C21 | H19 | 168.1° | 55.0° |
| N4 | C20 | C21 | H20 | 49.5° | 175.0° |
| C24 | C30 | C29 | H29 | 180.0° | 179.7° |
| C24 | C30 | C29 | C27 | 0.1° | 0.5° |
| C30 | C24 | C25 | C26 | 0.5° | 0.2° |
| C30 | C24 | C20 | H18 | 22.0° | 160.3° |
| C30 | C24 | C25 | H26 | 179.5° | 179.8° |
| C24 | C30 | C29 | H28 | 179.9° | 179.8° |
| C29 | C30 | C24 | C25 | 0.5° | 0.5° |
| C30 | C29 | C27 | H28 | 180.0° | 179.8° |
| C30 | C29 | C27 | C26 | 0.8° | 0.2° |
| C30 | C29 | C27 | C28 | 177.0° | 179.8° |
| O1 | C19 | N4 | C18 | 178.3° | 180.0° |
| O1 | C19 | C18 | C31 | 134.8° | 173.4° |
| O1 | C19 | C18 | C17 | 36.8° | 6.6° |
| O1 | C19 | N4 | H10 | 178.6° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.2° | 0.1° |
| C25 | C24 | C20 | H18 | 157.0° | 20.0° |
| C24 | C25 | C26 | H27 | 179.8° | 180.0° |
| C25 | C24 | C30 | H29 | 179.4° | 179.8° |
| N4 | C19 | C18 | C31 | 43.5° | 6.6° |
| N4 | C19 | C18 | C17 | 144.9° | 173.4° |
| C19 | N4 | C20 | H18 | 28.3° | 35.0° |
| C29 | C27 | C26 | C25 | 0.8° | 0.1° |
| C29 | C27 | C26 | C28 | 177.9° | 179.9° |
| C29 | C27 | C28 | F | 9.2° | 30.0° |
| C29 | C27 | C28 | F2 | 130.5° | 90.0° |
| C29 | C27 | C28 | F1 | 109.8° | 150.0° |
| C29 | C27 | C26 | H27 | 179.1° | 180.0° |
| C27 | C29 | C30 | H29 | 179.9° | 179.8° |
| C19 | C18 | C31 | C17 | 172.0° | 180.0° |
| C19 | C18 | C31 | C32 | 169.0° | 180.0° |
| C19 | C18 | C17 | N1 | 14.7° | 0.1° |
| C19 | C18 | C17 | C16 | 167.2° | 179.6° |
| C18 | C19 | N4 | H10 | 3.1° | 0.0° |
| C19 | C18 | C31 | H30 | 11.0° | 0.0° |
| C18 | C31 | C32 | H30 | 180.0° | 179.9° |
| C18 | C31 | C32 | C33 | 0.2° | 0.6° |
| C31 | C18 | C17 | N1 | 173.6° | 180.0° |
| C31 | C18 | C17 | C16 | 4.5° | 0.3° |
| C18 | C31 | C32 | H31 | 179.8° | 180.0° |
| C32 | C31 | C18 | C17 | 3.1° | 0.0° |
| C31 | C32 | C33 | H31 | 180.0° | 179.4° |
| C31 | C32 | C33 | C16 | 1.9° | 0.9° |
| C31 | C32 | C33 | H32 | 178.0° | 179.9° |
| C9 | C10 | C11 | H13 | 180.0° | 180.0° |
| C10 | C9 | C8 | H1 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.6° | 0.1° |
| C10 | C9 | C8 | C7 | 179.5° | 180.0° |
| C10 | C9 | C8 | C13 | 0.7° | 0.0° |
| C9 | C10 | C11 | H14 | 179.4° | 179.9° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C10 | C11 | C12 | H14 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C11 | C10 | C9 | H1 | 180.0° | 180.0° |
| C10 | C11 | C12 | H15 | 179.5° | 180.0° |
| C18 | C17 | N1 | C16 | 178.3° | 179.7° |
| C18 | C17 | C16 | C33 | 2.8° | 0.0° |
| C18 | C17 | N1 | C | 10.8° | 0.2° |
| C18 | C17 | N1 | C6 | 178.8° | 180.0° |
| C18 | C17 | C16 | N3 | 178.9° | 179.9° |
| C17 | C18 | C31 | H30 | 176.9° | 180.0° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 177.0° | 180.0° |
| C32 | C33 | C16 | C17 | 0.4° | 0.6° |
| C32 | C33 | C16 | H32 | 180.0° | 179.0° |
| C32 | C33 | C16 | N3 | 177.5° | 179.3° |
| C33 | C32 | C31 | H30 | 179.8° | 179.3° |
| C26 | C27 | C28 | F | 173.0° | 150.0° |
| C26 | C27 | C28 | F2 | 51.7° | 90.0° |
| C26 | C27 | C28 | F1 | 68.0° | 30.0° |
| C27 | C26 | C25 | H26 | 179.8° | 179.9° |
| C26 | C27 | C29 | H28 | 179.2° | 179.9° |
| C27 | C28 | F | F2 | 124.8° | 120.0° |
| C27 | C28 | F | F1 | 123.4° | 120.0° |
| C27 | C28 | F2 | F1 | 123.7° | 120.0° |
| C28 | C27 | C26 | H27 | 3.0° | 0.1° |
| C28 | C27 | C29 | H28 | 2.9° | 0.0° |
| F | C28 | F2 | F1 | 111.4° | 120.0° |
| C9 | C8 | C7 | C13 | 178.8° | 180.0° |
| C9 | C8 | C7 | C6 | 1.7° | 0.2° |
| C9 | C8 | C13 | C12 | 0.8° | 0.0° |
| C9 | C8 | C7 | C15 | 178.2° | 180.0° |
| C9 | C8 | C13 | C14 | 178.8° | 180.0° |
| C8 | C9 | C10 | H13 | 180.0° | 179.9° |
| C11 | C12 | C13 | C8 | 0.2° | 0.1° |
| C11 | C12 | C13 | H15 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 179.3° | 179.9° |
| C12 | C11 | C10 | H13 | 179.4° | 180.0° |
| C17 | N1 | C | C5 | 134.7° | 81.2° |
| N1 | C17 | C16 | C33 | 175.8° | 179.8° |
| C17 | N1 | C | C6 | 168.4° | 179.7° |
| C17 | N1 | C | C1 | 66.4° | 178.7° |
| N1 | C17 | C16 | N3 | 2.5° | 0.3° |
| C17 | N1 | C6 | N3 | 2.4° | 0.2° |
| C17 | N1 | C6 | C7 | 178.8° | 179.8° |
| C17 | N1 | C | H12 | 33.7° | 50.0° |
| C17 | C16 | C33 | N3 | 177.9° | 179.9° |
| C16 | C17 | N1 | C | 167.5° | 179.9° |
| C16 | C17 | N1 | C6 | 2.9° | 0.3° |
| C17 | C16 | N3 | C6 | 1.1° | 0.2° |
| C17 | C16 | C33 | H32 | 179.5° | 179.6° |
| C2 | C5 | C | H4 | 115.8° | 114.6° |
| C2 | C5 | C | H5 | 115.8° | 114.6° |
| C5 | C2 | C3 | N | 124.7° | 180.0° |
| C5 | C2 | C3 | C1 | 100.9° | 97.5° |
| C5 | C2 | C3 | H9 | 127.2° | 131.2° |
| C5 | C2 | C1 | H9 | 113.2° | 114.6° |
| C2 | C5 | C | N1 | 173.9° | 140.0° |
| C2 | C5 | C | C1 | 21.6° | 25.4° |
| C5 | C2 | C3 | O | 53.0° | 0.0° |
| C5 | C2 | C1 | H2 | 94.5° | 89.1° |
| C5 | C2 | C1 | H3 | 137.1° | 140.1° |
| C2 | C5 | H4 | H5 | 131.1° | 131.3° |
| C2 | C5 | C | H12 | 72.8° | 89.2° |
| C | C5 | C2 | C3 | 140.5° | 140.0° |
| C5 | C | N1 | C1 | 158.8° | 97.4° |
| C5 | C | N1 | H12 | 101.0° | 131.2° |
| C5 | C | C1 | H12 | 94.4° | 114.5° |
| C5 | C | N1 | C6 | 56.9° | 98.5° |
| C5 | C | C1 | H2 | 94.2° | 89.1° |
| C5 | C | C1 | H3 | 137.4° | 140.0° |
| C | C5 | H4 | H5 | 131.1° | 131.2° |
| C | C5 | C2 | H9 | 91.9° | 89.2° |
| C4 | N | C3 | H11 | 180.0° | 179.9° |
| C4 | N | C3 | C2 | 175.9° | 180.0° |
| C4 | N | C3 | O | 1.8° | 0.0° |
| N | C4 | H6 | H7 | 120.0° | 120.0° |
| N | C4 | H6 | H8 | 120.0° | 120.0° |
| N | C4 | H7 | H8 | 120.0° | 119.9° |
| N | C3 | C2 | O | 177.7° | 180.0° |
| N | C3 | C2 | C1 | 134.4° | 82.5° |
| C3 | N | C4 | H6 | 180.0° | 60.0° |
| C3 | N | C4 | H7 | 60.0° | 180.0° |
| C3 | N | C4 | H8 | 60.0° | 60.1° |
| N | C3 | C2 | H9 | 2.5° | 48.8° |
| C3 | C2 | C1 | H9 | 132.2° | 130.9° |
| C3 | C2 | C1 | C | 135.9° | 140.0° |
| C3 | C2 | C1 | H2 | 20.1° | 25.4° |
| C3 | C2 | C1 | H3 | 108.3° | 105.3° |
| C3 | C2 | C5 | H4 | 103.7° | 105.5° |
| C3 | C2 | C5 | H5 | 24.7° | 25.4° |
| C2 | C3 | N | H11 | 4.1° | 0.0° |
| C2 | C1 | C | N1 | 173.1° | 139.9° |
| C2 | C1 | C | H2 | 115.8° | 114.5° |
| C2 | C1 | C | H3 | 115.8° | 114.6° |
| C1 | C2 | C3 | O | 48.0° | 97.6° |
| C2 | C1 | H2 | H3 | 131.1° | 131.2° |
| C1 | C2 | C5 | H4 | 137.1° | 140.0° |
| C1 | C2 | C5 | H5 | 94.4° | 89.1° |
| C2 | C1 | C | H12 | 72.8° | 89.1° |
| C33 | C16 | N3 | C6 | 177.0° | 179.9° |
| C16 | C33 | C32 | H31 | 178.0° | 179.7° |
| N1 | C | C1 | H12 | 100.2° | 130.9° |
| C | N1 | C6 | N3 | 167.8° | 180.0° |
| C | N1 | C6 | C7 | 11.0° | 0.0° |
| N1 | C | C1 | H2 | 71.1° | 25.4° |
| N1 | C | C1 | H3 | 57.3° | 105.5° |
| N1 | C | C5 | H4 | 58.2° | 105.5° |
| N1 | C | C5 | H5 | 70.3° | 25.4° |
| C1 | C | N1 | C6 | 102.0° | 1.0° |
| C | C1 | H2 | H3 | 131.2° | 131.3° |
| C1 | C | C5 | H4 | 137.4° | 140.0° |
| C1 | C | C5 | H5 | 94.2° | 89.2° |
| C | C1 | C2 | H9 | 91.9° | 89.1° |
| N1 | C6 | N3 | C16 | 0.9° | 0.0° |
| N1 | C6 | C7 | C8 | 65.3° | 99.1° |
| N1 | C6 | N3 | C7 | 178.8° | 180.0° |
| N1 | C6 | C7 | C15 | 114.7° | 81.1° |
| C6 | N1 | C | H12 | 157.9° | 130.3° |
| C16 | N3 | C6 | C7 | 179.7° | 180.0° |
| N3 | C16 | C33 | H32 | 2.6° | 0.3° |
| O | C3 | C2 | H9 | 179.8° | 131.2° |
| O | C3 | N | H11 | 178.2° | 179.9° |
| C8 | C7 | C6 | N3 | 116.0° | 80.9° |
| C8 | C7 | C6 | C15 | 180.0° | 179.8° |
| C7 | C8 | C13 | C12 | 179.7° | 179.9° |
| C7 | C8 | C13 | C14 | 0.2° | 0.0° |
| C8 | C7 | C15 | N2 | 0.9° | 0.0° |
| C7 | C8 | C9 | H1 | 0.4° | 0.1° |
| C8 | C7 | C15 | H17 | 179.1° | 180.0° |
| C13 | C8 | C7 | C6 | 179.4° | 179.7° |
| C8 | C13 | C12 | C14 | 179.5° | 180.0° |
| C13 | C8 | C7 | C15 | 0.6° | 0.1° |
| C8 | C13 | C14 | N2 | 0.0° | 0.0° |
| C13 | C8 | C9 | H1 | 179.3° | 180.0° |
| C8 | C13 | C12 | H15 | 179.8° | 180.0° |
| C8 | C13 | C14 | H16 | 180.0° | 180.0° |
| N3 | C6 | C7 | C15 | 64.0° | 98.9° |
| C6 | C7 | C15 | N2 | 179.1° | 179.7° |
| C6 | C7 | C15 | H17 | 0.9° | 0.2° |
| C12 | C13 | C14 | N2 | 179.5° | 180.0° |
| C13 | C12 | C11 | H14 | 179.5° | 180.0° |
| C12 | C13 | C14 | H16 | 0.5° | 0.0° |
| C7 | C15 | N2 | H17 | 180.0° | 179.9° |
| C7 | C15 | N2 | C14 | 0.8° | 0.0° |
| C13 | C14 | N2 | C15 | 0.3° | 0.0° |
| C13 | C14 | N2 | H16 | 180.0° | 180.0° |
| C14 | C13 | C12 | H15 | 0.7° | 0.1° |
| C15 | N2 | C14 | H16 | 179.7° | 179.9° |
| C14 | N2 | C15 | H17 | 179.2° | 179.9° |
| H1 | C9 | C10 | H13 | 0.0° | 0.0° |
| H2 | C1 | C2 | H9 | 152.4° | 156.3° |
| H2 | C1 | C | H12 | 171.4° | 156.3° |
| H3 | C1 | C2 | H9 | 23.9° | 25.5° |
| H3 | C1 | C | H12 | 42.9° | 25.5° |
| H4 | C5 | C2 | H9 | 23.9° | 25.3° |
| H4 | C5 | C | H12 | 42.9° | 25.4° |
| H5 | C5 | C2 | H9 | 152.4° | 156.2° |
| H5 | C5 | C | H12 | 171.4° | 156.2° |
| H6 | C4 | H7 | H8 | 120.0° | 120.1° |
| H6 | C4 | N | H11 | 0.0° | 120.0° |
| H7 | C4 | N | H11 | 120.0° | 0.1° |
| H8 | C4 | N | H11 | 120.0° | 120.0° |
| H10 | N4 | C20 | H18 | 151.7° | 145.0° |
| H13 | C10 | C11 | H14 | 0.6° | 0.1° |
| H14 | C11 | C12 | H15 | 0.5° | 0.1° |
| H18 | C20 | C21 | H19 | 73.7° | 175.0° |
| H18 | C20 | C21 | H20 | 167.6° | 65.0° |
| H19 | C21 | C22 | H21 | 179.7° | 180.0° |
| H19 | C21 | C22 | H22 | 60.7° | 60.0° |
| H20 | C21 | C22 | H21 | 61.7° | 60.0° |
| H20 | C21 | C22 | H22 | 179.3° | 180.0° |
| H21 | C22 | C23 | H23 | 59.5° | 60.0° |
| H21 | C22 | C23 | H24 | 60.5° | 180.0° |
| H21 | C22 | C23 | H25 | 179.5° | 60.0° |
| H22 | C22 | C23 | H23 | 59.5° | 60.0° |
| H22 | C22 | C23 | H24 | 179.5° | 60.0° |
| H22 | C22 | C23 | H25 | 60.5° | NaN° |
| H23 | C23 | H24 | H25 | 120.0° | 120.0° |
| H26 | C25 | C26 | H27 | 0.2° | 0.0° |
| H28 | C29 | C30 | H29 | 0.1° | 0.0° |
| H30 | C31 | C32 | H31 | 0.2° | 0.1° |
| H31 | C32 | C33 | H32 | 2.0° | 0.7° |
