63O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.55Å | 1.52Å | |
| C28 | C27 | sing | 1.55Å | 1.48Å | |
| C29 | C25 | sing | 1.54Å | 1.56Å | |
| O4 | C31 | doub | 1.21Å | 1.22Å | |
| C27 | C26 | sing | 1.54Å | 1.52Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C25 | C30 | sing | 1.53Å | 1.55Å | |
| C25 | C26 | sing | 1.54Å | 1.56Å | |
| C31 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | N6 | sing | 1.35Å | 1.35Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C32 | N6 | sing | 1.47Å | 1.46Å | |
| N6 | C33 | sing | 1.46Å | 1.46Å | |
| C23 | N5 | sing | 1.35Å | 1.33Å | |
| C23 | O3 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| O2 | C14 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| N5 | C22 | sing | 1.47Å | 1.46Å | |
| N2 | N1 | sing | 1.28Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| C2 | C5 | sing | 1.47Å | 1.50Å | |
| N1 | C1 | sing | 1.46Å | 1.46Å | |
| N3 | C5 | sing | 1.35Å | 1.35Å | |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| C14 | C6 | sing | 1.51Å | 1.53Å | |
| C14 | N4 | sing | 1.35Å | 1.35Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | O1 | doub | 1.22Å | 1.23Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C9 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N4 | sing | 1.40Å | 1.41Å | |
| C15 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | F1 | sing | 1.35Å | 1.35Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | H1 | sing | 1.09Å | 1.10Å | |
| C33 | H2 | sing | 1.09Å | 1.10Å | |
| C33 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C32 | H5 | sing | 1.09Å | 1.10Å | |
| C32 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| N5 | H16 | sing | 0.97Å | 1.00Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C10 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H27 | sing | 1.08Å | 1.08Å | |
| C12 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.08Å | 1.08Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C28 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | C27 | 106.0° | 102.7° |
| C28 | C29 | C25 | 106.1° | 104.2° |
| C29 | C28 | H36 | 110.3° | 110.8° |
| C29 | C28 | H37 | 110.3° | 110.8° |
| C28 | C29 | H38 | 110.3° | 110.4° |
| C28 | C29 | H39 | 110.3° | 110.5° |
| C28 | C27 | C26 | 106.3° | 104.2° |
| C28 | C27 | H34 | 110.2° | 110.5° |
| C28 | C27 | H35 | 110.2° | 110.6° |
| C27 | C28 | H36 | 110.3° | 110.8° |
| C27 | C28 | H37 | 110.3° | 110.7° |
| C29 | C25 | C24 | 109.8° | 110.0° |
| C29 | C25 | C30 | 109.3° | 110.1° |
| C29 | C25 | C26 | 104.7° | 106.6° |
| C25 | C29 | H38 | 110.3° | 110.5° |
| C25 | C29 | H39 | 110.3° | 110.5° |
| O4 | C31 | C30 | 121.4° | 120.0° |
| O4 | C31 | N6 | 121.7° | 120.0° |
| C27 | C26 | C25 | 107.1° | 106.6° |
| C27 | C26 | H19 | 110.1° | 110.1° |
| C27 | C26 | H20 | 110.1° | 110.0° |
| C26 | C27 | H34 | 110.3° | 110.5° |
| C26 | C27 | H35 | 110.3° | 110.5° |
| C24 | C25 | C30 | 113.4° | 110.0° |
| C24 | C25 | C26 | 110.4° | 110.0° |
| C25 | C24 | C23 | 118.1° | 109.4° |
| C25 | C24 | H32 | 107.3° | 109.5° |
| C25 | C24 | H33 | 107.3° | 109.5° |
| C30 | C25 | C26 | 109.0° | 110.0° |
| C25 | C30 | C31 | 121.3° | 109.5° |
| C25 | C30 | H40 | 106.4° | 109.5° |
| C25 | C30 | H41 | 106.4° | 109.5° |
| C25 | C26 | H19 | 110.1° | 110.0° |
| C25 | C26 | H20 | 110.1° | 110.0° |
| C30 | C31 | N6 | 116.9° | 120.0° |
| C31 | C30 | H40 | 106.4° | 109.4° |
| C31 | C30 | H41 | 106.4° | 109.4° |
| C31 | N6 | C32 | 123.2° | 120.0° |
| C31 | N6 | C33 | 122.2° | 120.0° |
| C24 | C23 | N5 | 114.1° | 119.9° |
| C24 | C23 | O3 | 121.9° | 120.0° |
| C23 | C24 | H32 | 107.3° | 109.5° |
| C23 | C24 | H33 | 107.3° | 109.5° |
| C32 | N6 | C33 | 114.6° | 120.0° |
| N6 | C32 | H4 | 109.5° | 109.4° |
| N6 | C32 | H5 | 109.5° | 109.5° |
| N6 | C32 | H6 | 109.5° | 109.4° |
| N6 | C33 | H1 | 109.5° | 109.5° |
| N6 | C33 | H2 | 109.5° | 109.5° |
| N6 | C33 | H3 | 109.5° | 109.5° |
| N5 | C23 | O3 | 123.9° | 120.1° |
| C23 | N5 | C22 | 124.6° | 120.0° |
| C23 | N5 | H16 | 117.8° | 120.0° |
| C3 | C4 | N2 | 113.1° | 107.8° |
| C4 | C3 | C2 | 105.1° | 105.4° |
| C3 | C4 | H8 | 123.5° | 126.1° |
| C4 | C3 | H24 | 127.5° | 127.3° |
| C4 | N2 | N1 | 105.0° | 110.9° |
| N2 | C4 | H8 | 123.5° | 126.1° |
| O2 | C14 | C6 | 121.2° | 120.0° |
| O2 | C14 | N4 | 124.3° | 120.0° |
| C3 | C2 | N1 | 106.0° | 106.2° |
| C3 | C2 | C5 | 130.4° | 126.9° |
| C2 | C3 | H24 | 127.5° | 127.3° |
| N5 | C22 | C21 | 112.0° | 109.5° |
| C22 | N5 | H16 | 117.7° | 120.0° |
| N5 | C22 | H30 | 108.8° | 109.5° |
| N5 | C22 | H31 | 108.8° | 109.4° |
| N2 | N1 | C2 | 110.9° | 109.6° |
| N2 | N1 | C1 | 117.7° | 125.2° |
| N1 | C2 | C5 | 123.6° | 126.9° |
| C2 | N1 | C1 | 131.4° | 125.2° |
| C2 | C5 | N3 | 115.2° | 120.0° |
| C2 | C5 | O1 | 121.4° | 120.0° |
| N1 | C1 | H21 | 109.5° | 109.5° |
| N1 | C1 | H22 | 109.5° | 109.5° |
| N1 | C1 | H23 | 109.5° | 109.5° |
| C5 | N3 | C6 | 123.4° | 120.0° |
| N3 | C5 | O1 | 123.4° | 120.0° |
| C5 | N3 | H7 | 118.3° | 120.0° |
| N3 | C6 | C14 | 112.4° | 109.5° |
| N3 | C6 | C7 | 111.6° | 109.5° |
| C6 | N3 | H7 | 118.3° | 120.0° |
| N3 | C6 | H11 | 107.5° | 109.5° |
| C6 | C14 | N4 | 114.5° | 120.0° |
| C14 | C6 | C7 | 111.8° | 109.5° |
| C14 | C6 | H11 | 106.6° | 109.4° |
| C14 | N4 | C15 | 127.4° | 120.0° |
| C14 | N4 | H25 | 116.3° | 120.0° |
| C6 | C7 | C8 | 110.9° | 109.5° |
| C6 | C7 | H9 | 109.1° | 109.5° |
| C6 | C7 | H10 | 109.1° | 109.5° |
| C7 | C6 | H11 | 106.5° | 109.4° |
| C7 | C8 | C9 | 121.5° | 120.0° |
| C7 | C8 | C13 | 121.2° | 120.0° |
| C8 | C7 | H9 | 109.1° | 109.4° |
| C8 | C7 | H10 | 109.1° | 109.5° |
| C16 | C17 | C18 | 121.1° | 120.1° |
| C17 | C16 | C15 | 120.2° | 120.0° |
| C17 | C16 | H17 | 119.9° | 120.0° |
| C16 | C17 | H29 | 119.5° | 119.9° |
| C17 | C18 | C21 | 120.9° | 119.9° |
| C17 | C18 | C19 | 118.3° | 120.1° |
| C18 | C17 | H29 | 119.5° | 120.0° |
| C16 | C15 | N4 | 122.3° | 120.1° |
| C16 | C15 | C20 | 119.1° | 119.8° |
| C15 | C16 | H17 | 119.9° | 120.0° |
| C22 | C21 | C18 | 113.5° | 109.5° |
| C22 | C21 | H14 | 108.5° | 109.5° |
| C22 | C21 | H15 | 108.5° | 109.4° |
| C21 | C22 | H30 | 108.8° | 109.5° |
| C21 | C22 | H31 | 108.8° | 109.5° |
| C8 | C9 | C10 | 120.7° | 120.1° |
| C9 | C8 | C13 | 117.2° | 120.0° |
| C8 | C9 | H12 | 119.6° | 120.0° |
| C9 | C10 | C11 | 120.2° | 120.0° |
| C10 | C9 | H12 | 119.6° | 119.9° |
| C9 | C10 | H26 | 119.9° | 120.0° |
| C21 | C18 | C19 | 120.8° | 120.0° |
| C18 | C21 | H14 | 108.4° | 109.5° |
| C18 | C21 | H15 | 108.5° | 109.5° |
| C18 | C19 | C20 | 121.2° | 120.1° |
| C18 | C19 | H18 | 119.4° | 119.9° |
| C8 | C13 | F1 | 118.1° | 120.0° |
| C8 | C13 | C12 | 123.3° | 120.0° |
| N4 | C15 | C20 | 118.7° | 120.1° |
| C15 | N4 | H25 | 116.3° | 120.0° |
| C15 | C20 | C19 | 120.2° | 120.0° |
| C15 | C20 | H13 | 119.9° | 120.0° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C11 | C10 | H26 | 119.9° | 120.0° |
| C10 | C11 | H27 | 119.9° | 120.0° |
| C19 | C20 | H13 | 119.9° | 120.0° |
| C20 | C19 | H18 | 119.4° | 120.0° |
| F1 | C13 | C12 | 118.6° | 120.0° |
| C13 | C12 | C11 | 118.4° | 120.0° |
| C13 | C12 | H28 | 120.8° | 120.0° |
| C12 | C11 | H27 | 119.9° | 120.0° |
| C11 | C12 | H28 | 120.8° | 120.0° |
| H1 | C33 | H2 | 109.5° | 109.5° |
| H1 | C33 | H3 | 109.5° | 109.4° |
| H2 | C33 | H3 | 109.4° | 109.4° |
| H4 | C32 | H5 | 109.5° | 109.5° |
| H4 | C32 | H6 | 109.5° | 109.5° |
| H5 | C32 | H6 | 109.4° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H19 | C26 | H20 | 109.5° | 110.0° |
| H21 | C1 | H22 | 109.4° | 109.4° |
| H21 | C1 | H23 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.4° | 109.5° |
| H34 | C27 | H35 | 109.5° | 110.4° |
| H36 | C28 | H37 | 109.5° | 110.8° |
| H38 | C29 | H39 | 109.5° | 110.6° |
| H40 | C30 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | C27 | H36 | 119.4° | 118.4° |
| C29 | C28 | C27 | H37 | 119.4° | 118.3° |
| C28 | C29 | C25 | H38 | 119.5° | 118.6° |
| C28 | C29 | C25 | H39 | 119.4° | 118.6° |
| C29 | C28 | C27 | C26 | 31.8° | 37.9° |
| C28 | C29 | C25 | C24 | 102.7° | 95.7° |
| C28 | C29 | C25 | C30 | 132.4° | 142.9° |
| C28 | C29 | C25 | C26 | 15.7° | 23.6° |
| C29 | C28 | C27 | H34 | 151.3° | 80.8° |
| C29 | C28 | C27 | H35 | 87.8° | 156.7° |
| C29 | C28 | H36 | H37 | 121.6° | 123.4° |
| C28 | C29 | H38 | H39 | 121.6° | 122.6° |
| C27 | C28 | C29 | C25 | 29.6° | 37.9° |
| C28 | C27 | C26 | H34 | 119.5° | 118.7° |
| C28 | C27 | C26 | H35 | 119.5° | 118.8° |
| C28 | C27 | C26 | C25 | 21.6° | 23.6° |
| C28 | C27 | C26 | H19 | 98.0° | 142.9° |
| C28 | C27 | C26 | H20 | 141.2° | 95.7° |
| C28 | C27 | H34 | H35 | 121.4° | 122.6° |
| C27 | C28 | H36 | H37 | 121.6° | 123.3° |
| C27 | C28 | C29 | H38 | 89.9° | 156.6° |
| C27 | C28 | C29 | H39 | 149.1° | 80.7° |
| C29 | C25 | C26 | C27 | 3.2° | 0.1° |
| C29 | C25 | C24 | C30 | 122.5° | 121.4° |
| C29 | C25 | C24 | C26 | 114.9° | 117.2° |
| C29 | C25 | C30 | C26 | 113.9° | 117.2° |
| C29 | C25 | C30 | C31 | 76.5° | 56.1° |
| C29 | C25 | C24 | C23 | 172.4° | 173.5° |
| C29 | C25 | C26 | H19 | 116.4° | 119.3° |
| C29 | C25 | C26 | H20 | 122.9° | 119.4° |
| C29 | C25 | C24 | H32 | 66.4° | 53.5° |
| C29 | C25 | C24 | H33 | 51.1° | 66.5° |
| C25 | C29 | C28 | H36 | 89.8° | 156.3° |
| C25 | C29 | C28 | H37 | 149.0° | 80.3° |
| C25 | C29 | H38 | H39 | 121.6° | 122.7° |
| C29 | C25 | C30 | H40 | 161.9° | 176.1° |
| C29 | C25 | C30 | H41 | 45.2° | 63.9° |
| O4 | C31 | C30 | C25 | 38.5° | 0.6° |
| O4 | C31 | C30 | N6 | 179.9° | 179.9° |
| O4 | C31 | N6 | C32 | 1.2° | 0.1° |
| O4 | C31 | N6 | C33 | 177.3° | 180.0° |
| O4 | C31 | C30 | H40 | 160.2° | 120.7° |
| O4 | C31 | C30 | H41 | 83.1° | 119.4° |
| C27 | C26 | C25 | C24 | 121.3° | 119.2° |
| C27 | C26 | C25 | C30 | 113.6° | 119.4° |
| C27 | C26 | C25 | H19 | 119.6° | 119.3° |
| C27 | C26 | C25 | H20 | 119.6° | 119.3° |
| C27 | C26 | H19 | H20 | 121.1° | 121.4° |
| C26 | C27 | H34 | H35 | 121.5° | 122.5° |
| C26 | C27 | C28 | H36 | 87.7° | 156.2° |
| C26 | C27 | C28 | H37 | 151.2° | 80.4° |
| C24 | C25 | C30 | C26 | 123.4° | 121.4° |
| C24 | C25 | C30 | C31 | 46.3° | 65.3° |
| C25 | C24 | C23 | H32 | 121.3° | 120.0° |
| C25 | C24 | C23 | H33 | 121.2° | 120.0° |
| C25 | C24 | C23 | N5 | 88.6° | 179.8° |
| C25 | C24 | C23 | O3 | 91.9° | 0.2° |
| C24 | C25 | C26 | H19 | 1.7° | 121.4° |
| C24 | C25 | C26 | H20 | 119.1° | 0.1° |
| C25 | C24 | H32 | H33 | 116.1° | 120.0° |
| C24 | C25 | C29 | H38 | 137.8° | 22.9° |
| C24 | C25 | C29 | H39 | 16.7° | 145.7° |
| C24 | C25 | C30 | H40 | 75.4° | 54.7° |
| C24 | C25 | C30 | H41 | 168.0° | 174.7° |
| C25 | C30 | C31 | H40 | 121.7° | 120.1° |
| C25 | C30 | C31 | H41 | 121.6° | 120.0° |
| C25 | C30 | C31 | N6 | 141.6° | 179.3° |
| C30 | C25 | C24 | C23 | 65.1° | 65.1° |
| C30 | C25 | C26 | H19 | 126.8° | 0.0° |
| C30 | C25 | C26 | H20 | 6.1° | 121.3° |
| C30 | C25 | C24 | H32 | 56.1° | 174.9° |
| C30 | C25 | C24 | H33 | 173.6° | 54.9° |
| C30 | C25 | C29 | H38 | 12.9° | 98.4° |
| C30 | C25 | C29 | H39 | 108.2° | 24.3° |
| C25 | C30 | H40 | H41 | 114.6° | 120.1° |
| C26 | C25 | C30 | C31 | 169.7° | 173.3° |
| C26 | C25 | C24 | C23 | 57.5° | 56.3° |
| C25 | C26 | H19 | H20 | 121.1° | 121.4° |
| C26 | C25 | C24 | H32 | 178.8° | 63.7° |
| C26 | C25 | C24 | H33 | 63.7° | 176.3° |
| C25 | C26 | C27 | H34 | 141.1° | 95.1° |
| C25 | C26 | C27 | H35 | 97.9° | 142.4° |
| C26 | C25 | C29 | H38 | 103.7° | 142.2° |
| C26 | C25 | C29 | H39 | 135.2° | 95.0° |
| C26 | C25 | C30 | H40 | 48.0° | 66.7° |
| C26 | C25 | C30 | H41 | 68.7° | 53.4° |
| C30 | C31 | N6 | C32 | 178.7° | 180.0° |
| C30 | C31 | N6 | C33 | 2.8° | 0.1° |
| C31 | C30 | H40 | H41 | 114.7° | 119.9° |
| C31 | N6 | C32 | C33 | 178.6° | 179.9° |
| C31 | N6 | C33 | H1 | 180.0° | 90.1° |
| C31 | N6 | C33 | H2 | 60.0° | 30.0° |
| C31 | N6 | C33 | H3 | 60.0° | 150.0° |
| C31 | N6 | C32 | H4 | 180.0° | 90.0° |
| C31 | N6 | C32 | H5 | 60.0° | 30.0° |
| C31 | N6 | C32 | H6 | 60.0° | 150.1° |
| N6 | C31 | C30 | H40 | 19.9° | 59.3° |
| N6 | C31 | C30 | H41 | 96.8° | 60.7° |
| C24 | C23 | N5 | O3 | 179.5° | 180.0° |
| C24 | C23 | N5 | C22 | 178.6° | 180.0° |
| C24 | C23 | N5 | H16 | 1.4° | 0.0° |
| C23 | C24 | H32 | H33 | 116.1° | 120.0° |
| C32 | N6 | C33 | H1 | 1.4° | 90.0° |
| C32 | N6 | C33 | H2 | 118.6° | 150.0° |
| C32 | N6 | C33 | H3 | 121.4° | 30.0° |
| N6 | C32 | H4 | H5 | 120.0° | 120.0° |
| N6 | C32 | H4 | H6 | 120.0° | 119.9° |
| N6 | C32 | H5 | H6 | 120.0° | 120.0° |
| N6 | C33 | H1 | H2 | 120.0° | 120.1° |
| N6 | C33 | H1 | H3 | 120.0° | 120.0° |
| N6 | C33 | H2 | H3 | 120.0° | 120.0° |
| C33 | N6 | C32 | H4 | 1.4° | 90.0° |
| C33 | N6 | C32 | H5 | 121.5° | 150.0° |
| C33 | N6 | C32 | H6 | 118.6° | 30.0° |
| C23 | N5 | C22 | H16 | 180.0° | 180.0° |
| C23 | N5 | C22 | C21 | 159.8° | 180.0° |
| C23 | N5 | C22 | H30 | 39.4° | 60.0° |
| C23 | N5 | C22 | H31 | 79.8° | 59.9° |
| N5 | C23 | C24 | H32 | 150.2° | 60.2° |
| N5 | C23 | C24 | H33 | 32.7° | 59.8° |
| O3 | C23 | N5 | C22 | 1.9° | 0.0° |
| O3 | C23 | N5 | H16 | 178.1° | 180.0° |
| O3 | C23 | C24 | H32 | 29.4° | 119.8° |
| O3 | C23 | C24 | H33 | 146.9° | 120.2° |
| C3 | C4 | N2 | H8 | 180.0° | 179.7° |
| C4 | C3 | C2 | H24 | 180.0° | 180.0° |
| C3 | C4 | N2 | N1 | 0.6° | 0.0° |
| C4 | C3 | C2 | N1 | 0.5° | 0.0° |
| C4 | C3 | C2 | C5 | 178.9° | 180.0° |
| N2 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | N2 | N1 | C2 | 0.9° | 0.0° |
| C4 | N2 | N1 | C1 | 176.1° | 180.0° |
| N2 | C4 | C3 | H24 | 179.9° | 180.0° |
| O2 | C14 | C6 | N3 | 73.8° | 20.0° |
| O2 | C14 | C6 | N4 | 179.2° | 180.0° |
| O2 | C14 | C6 | C7 | 52.6° | 100.0° |
| O2 | C14 | N4 | C15 | 6.1° | 4.8° |
| O2 | C14 | C6 | H11 | 168.6° | 140.0° |
| O2 | C14 | N4 | H25 | 173.9° | 175.2° |
| C3 | C2 | N1 | N2 | 0.9° | 0.0° |
| C3 | C2 | N1 | C5 | 178.6° | 180.0° |
| C3 | C2 | N1 | C1 | 175.6° | 180.0° |
| C3 | C2 | C5 | N3 | 3.2° | 5.3° |
| C3 | C2 | C5 | O1 | 175.4° | 174.7° |
| C2 | C3 | C4 | H8 | 180.0° | 179.7° |
| N5 | C22 | C21 | H30 | 120.4° | 120.0° |
| N5 | C22 | C21 | H31 | 120.4° | 120.0° |
| N5 | C22 | C21 | C18 | 62.9° | 180.0° |
| N5 | C22 | C21 | H14 | 176.5° | 60.0° |
| N5 | C22 | C21 | H15 | 57.7° | 60.0° |
| N5 | C22 | H30 | H31 | 118.8° | 119.9° |
| N2 | N1 | C2 | C1 | 176.5° | 180.0° |
| N2 | N1 | C2 | C5 | 179.4° | 180.0° |
| N1 | N2 | C4 | H8 | 179.4° | 179.7° |
| N2 | N1 | C1 | H21 | 0.0° | 95.6° |
| N2 | N1 | C1 | H22 | 120.0° | 144.5° |
| N2 | N1 | C1 | H23 | 120.0° | 24.5° |
| N1 | C2 | C5 | N3 | 175.0° | 174.6° |
| N1 | C2 | C5 | O1 | 6.4° | 5.4° |
| C2 | N1 | C1 | H21 | 176.3° | 84.4° |
| C2 | N1 | C1 | H22 | 63.7° | 35.5° |
| C2 | N1 | C1 | H23 | 56.3° | 155.5° |
| N1 | C2 | C3 | H24 | 179.5° | 180.0° |
| C5 | C2 | N1 | C1 | 3.0° | 0.0° |
| C2 | C5 | N3 | O1 | 178.5° | 180.0° |
| C2 | C5 | N3 | C6 | 176.6° | 175.8° |
| C2 | C5 | N3 | H7 | 3.4° | 4.2° |
| C5 | C2 | C3 | H24 | 1.1° | 0.1° |
| N1 | C1 | H21 | H22 | 120.0° | 120.0° |
| N1 | C1 | H21 | H23 | 120.0° | 120.0° |
| N1 | C1 | H22 | H23 | 120.0° | 120.0° |
| C5 | N3 | C6 | H7 | 180.0° | 180.0° |
| C5 | N3 | C6 | C14 | 55.3° | 60.0° |
| C5 | N3 | C6 | C7 | 178.1° | 60.0° |
| C5 | N3 | C6 | H11 | 61.7° | 180.0° |
| N3 | C6 | C14 | C7 | 126.5° | 120.1° |
| N3 | C6 | C14 | H11 | 117.5° | 120.0° |
| N3 | C6 | C14 | N4 | 105.4° | 160.0° |
| N3 | C6 | C7 | H11 | 117.0° | 120.0° |
| N3 | C6 | C7 | C8 | 157.8° | 65.0° |
| C6 | N3 | C5 | O1 | 1.9° | 4.2° |
| N3 | C6 | C7 | H9 | 37.6° | 55.0° |
| N3 | C6 | C7 | H10 | 81.9° | 175.0° |
| C14 | C6 | C7 | H11 | 116.1° | 119.9° |
| C14 | C6 | C7 | C8 | 75.3° | 175.0° |
| C6 | C14 | N4 | C15 | 174.7° | 175.2° |
| C14 | C6 | N3 | H7 | 124.7° | 120.0° |
| C14 | C6 | C7 | H9 | 164.5° | 65.0° |
| C14 | C6 | C7 | H10 | 45.0° | 54.9° |
| C6 | C14 | N4 | H25 | 5.3° | 4.8° |
| N4 | C14 | C6 | C7 | 128.2° | 79.9° |
| C14 | N4 | C15 | C16 | 62.8° | 35.4° |
| C14 | N4 | C15 | H25 | 180.0° | 180.0° |
| C14 | N4 | C15 | C20 | 116.6° | 144.6° |
| N4 | C14 | C6 | H11 | 12.1° | 40.0° |
| C6 | C7 | C8 | H9 | 120.2° | 120.0° |
| C6 | C7 | C8 | H10 | 120.3° | 120.0° |
| C6 | C7 | C8 | C9 | 84.5° | 100.0° |
| C6 | C7 | C8 | C13 | 92.0° | 80.0° |
| C7 | C6 | N3 | H7 | 1.9° | 119.9° |
| C6 | C7 | H9 | H10 | 119.3° | 120.0° |
| C7 | C8 | C9 | C13 | 176.7° | 180.0° |
| C7 | C8 | C9 | C10 | 174.8° | 180.0° |
| C7 | C8 | C13 | F1 | 8.7° | 0.0° |
| C7 | C8 | C13 | C12 | 174.2° | 180.0° |
| C8 | C7 | H9 | H10 | 119.3° | 120.0° |
| C8 | C7 | C6 | H11 | 40.8° | 55.0° |
| C7 | C8 | C9 | H12 | 5.3° | 0.3° |
| C16 | C17 | C18 | H29 | 180.0° | 179.8° |
| C17 | C16 | C15 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 179.9° | 179.7° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C16 | C15 | N4 | 178.8° | 180.0° |
| C17 | C16 | C15 | C20 | 0.6° | 0.0° |
| C18 | C17 | C16 | C15 | 0.6° | 0.2° |
| C17 | C18 | C21 | C22 | 116.5° | 90.0° |
| C17 | C18 | C21 | C19 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.1° |
| C17 | C18 | C21 | H14 | 122.9° | 30.0° |
| C17 | C18 | C21 | H15 | 4.1° | 150.0° |
| C18 | C17 | C16 | H17 | 179.4° | 179.8° |
| C17 | C18 | C19 | H18 | 179.1° | 180.0° |
| C16 | C15 | N4 | C20 | 179.4° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.3° |
| C16 | C15 | C20 | H13 | 179.9° | 180.0° |
| C16 | C15 | N4 | H25 | 117.2° | 144.6° |
| C15 | C16 | C17 | H29 | 179.4° | 180.0° |
| O1 | C5 | N3 | H7 | 178.1° | 175.8° |
| C22 | C21 | C18 | H14 | 120.6° | 120.0° |
| C22 | C21 | C18 | H15 | 120.6° | 120.0° |
| C22 | C21 | C18 | C19 | 63.5° | 90.0° |
| C22 | C21 | H14 | H15 | 118.1° | 120.0° |
| C21 | C22 | N5 | H16 | 20.2° | 0.0° |
| C21 | C22 | H30 | H31 | 118.9° | 120.1° |
| C8 | C9 | C10 | H12 | 180.0° | 179.7° |
| C8 | C9 | C10 | C11 | 0.3° | 0.0° |
| C9 | C8 | C13 | F1 | 174.6° | 180.0° |
| C9 | C8 | C13 | C12 | 2.5° | 0.0° |
| C9 | C8 | C7 | H9 | 155.3° | 20.1° |
| C9 | C8 | C7 | H10 | 35.7° | 140.0° |
| C8 | C9 | C10 | H26 | 179.8° | 180.0° |
| C10 | C9 | C8 | C13 | 1.9° | 0.0° |
| C9 | C10 | C11 | H26 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| C9 | C10 | C11 | H27 | 179.0° | 180.0° |
| C21 | C18 | C19 | C20 | 179.1° | 180.0° |
| C18 | C21 | H14 | H15 | 118.1° | 120.0° |
| C21 | C18 | C19 | H18 | 0.9° | 0.0° |
| C21 | C18 | C17 | H29 | 0.1° | 0.1° |
| C18 | C21 | C22 | H30 | 57.5° | 60.0° |
| C18 | C21 | C22 | H31 | 176.7° | 60.0° |
| C18 | C19 | C20 | C15 | 0.9° | 0.3° |
| C18 | C19 | C20 | H18 | 180.0° | 179.9° |
| C18 | C19 | C20 | H13 | 179.1° | 180.0° |
| C19 | C18 | C21 | H14 | 57.1° | 150.0° |
| C19 | C18 | C21 | H15 | 175.9° | 30.0° |
| C19 | C18 | C17 | H29 | 179.9° | 180.0° |
| C8 | C13 | F1 | C12 | 177.2° | 180.0° |
| C8 | C13 | C12 | C11 | 1.3° | 0.0° |
| C13 | C8 | C7 | H9 | 28.2° | 160.0° |
| C13 | C8 | C7 | H10 | 147.7° | 40.0° |
| C13 | C8 | C9 | H12 | 178.1° | 179.7° |
| C8 | C13 | C12 | H28 | 178.7° | 180.0° |
| N4 | C15 | C20 | C19 | 179.6° | 179.7° |
| N4 | C15 | C20 | H13 | 0.5° | 0.0° |
| N4 | C15 | C16 | H17 | 1.2° | 0.0° |
| C15 | C20 | C19 | H13 | 180.0° | 179.7° |
| C20 | C15 | C16 | H17 | 179.4° | 180.0° |
| C15 | C20 | C19 | H18 | 179.1° | 179.8° |
| C20 | C15 | N4 | H25 | 63.4° | 35.4° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H27 | 180.0° | 179.9° |
| C11 | C10 | C9 | H12 | 179.7° | 179.7° |
| C10 | C11 | C12 | H28 | 179.5° | 180.0° |
| F1 | C13 | C12 | C11 | 175.8° | 180.0° |
| F1 | C13 | C12 | H28 | 4.2° | 0.0° |
| C13 | C12 | C11 | H28 | 180.0° | 179.9° |
| C13 | C12 | C11 | H27 | 179.5° | 179.9° |
| C12 | C11 | C10 | H26 | 179.0° | 180.0° |
| H1 | C33 | H2 | H3 | 120.0° | 120.0° |
| H4 | C32 | H5 | H6 | 120.0° | 120.0° |
| H7 | N3 | C6 | H11 | 118.4° | 0.0° |
| H8 | C4 | C3 | H24 | 0.1° | 0.3° |
| H9 | C7 | C6 | H11 | 79.4° | 175.0° |
| H10 | C7 | C6 | H11 | 161.1° | 65.0° |
| H12 | C9 | C10 | H26 | 0.2° | 0.3° |
| H13 | C20 | C19 | H18 | 0.9° | 0.0° |
| H14 | C21 | C22 | H30 | 63.2° | 180.0° |
| H14 | C21 | C22 | H31 | 56.1° | 60.0° |
| H15 | C21 | C22 | H30 | 178.1° | 60.0° |
| H15 | C21 | C22 | H31 | 62.6° | 180.0° |
| H16 | N5 | C22 | H30 | 140.6° | 120.0° |
| H16 | N5 | C22 | H31 | 100.2° | 120.0° |
| H17 | C16 | C17 | H29 | 0.6° | 0.0° |
| H19 | C26 | C27 | H34 | 21.5° | 24.2° |
| H19 | C26 | C27 | H35 | 142.5° | 98.3° |
| H20 | C26 | C27 | H34 | 99.3° | 145.6° |
| H20 | C26 | C27 | H35 | 21.7° | 23.1° |
| H21 | C1 | H22 | H23 | 120.0° | 120.0° |
| H26 | C10 | C11 | H27 | 1.0° | 0.1° |
| H27 | C11 | C12 | H28 | 0.5° | 0.0° |
| H34 | C27 | C28 | H36 | 31.8° | 37.5° |
| H34 | C27 | C28 | H37 | 89.3° | 160.9° |
| H35 | C27 | C28 | H36 | 152.8° | 85.0° |
| H35 | C27 | C28 | H37 | 31.7° | 38.4° |
| H36 | C28 | C29 | H38 | 150.7° | 85.1° |
| H36 | C28 | C29 | H39 | 29.6° | 37.6° |
| H37 | C28 | C29 | H38 | 29.5° | 38.3° |
| H37 | C28 | C29 | H39 | 91.5° | 161.0° |
